BindingDB Reactant_set_id Ligand SMILES Ligand InChI Ligand InChI Key BindingDB MonomerID BindingDB Ligand Name Target Name Target Source Organism According to Curator or DataSource Ki (nM) IC50 (nM) Kd (nM) EC50 (nM) kon (M-1-s-1) koff (s-1) pH Temp (C) Curation/DataSource Article DOI BindingDB Entry DOI PMID PubChem AID Patent Number Authors Institution Link to Ligand in BindingDB Link to Target in BindingDB Link to Ligand-Target Pair in BindingDB Ligand HET ID in PDB PDB ID(s) for Ligand-Target Complex PubChem CID of Ligand PubChem SID of Ligand ChEBI ID of Ligand ChEMBL ID of Ligand DrugBank ID of Ligand IUPHAR_GRAC ID of Ligand KEGG ID of Ligand ZINC ID of Ligand Number of Protein Chains in Target (>1 implies a multichain complex) BindingDB Target Chain Sequence PDB ID(s) of Target Chain UniProt (SwissProt) Recommended Name of Target Chain UniProt (SwissProt) Entry Name of Target Chain UniProt (SwissProt) Primary ID of Target Chain UniProt (SwissProt) Secondary ID(s) of Target Chain UniProt (SwissProt) Alternative ID(s) of Target Chain UniProt (TrEMBL) Submitted Name of Target Chain UniProt (TrEMBL) Entry Name of Target Chain UniProt (TrEMBL) Primary ID of Target Chain UniProt (TrEMBL) Secondary ID(s) of Target Chain UniProt (TrEMBL) Alternative ID(s) of Target Chain 51058762 NC(Nc1cccc2ccccc12)=NCCCNCCCCNCCCN=C(N)Nc1cccc2ccccc12 InChI=1S/C32H42N8/c33-31(39-29-17-7-13-25-11-1-3-15-27(25)29)37-23-9-21-35-19-5-6-20-36-22-10-24-38-32(34)40-30-18-8-14-26-12-2-4-16-28(26)30/h1-4,7-8,11-18,35-36H,5-6,9-10,19-24H2,(H3,33,37,39)(H3,34,38,40) HYRYDBPFIXNJEE-UHFFFAOYSA-N 50431870 CHEMBL2347630::Spermine bis-1-NapG C-X-C chemokine receptor type 4 180 ChEMBL 10.1016/j.bmcl.2013.01.107 10.7270/Q2V1266N 23434419 Wilkinson, RA; Pincus, SH; Song, K; Shepard, JB; Weaver, AJ; Labib, ME; Teintze, M Montana State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50431870 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50431870&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 71718960 164160745 CHEMBL2347630 ZINC95603680 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51058763 NC(Nc1ccc2ccccc2c1)=NCCCCN(CCCN=C(N)Nc1ccc2ccccc2c1)C(=N)Nc1ccc2ccccc2c1 InChI=1S/C40H43N9/c41-38(46-35-19-16-29-10-1-4-13-32(29)26-35)44-22-7-8-24-49(40(43)48-37-21-18-31-12-3-6-15-34(31)28-37)25-9-23-45-39(42)47-36-20-17-30-11-2-5-14-33(30)27-36/h1-6,10-21,26-28H,7-9,22-25H2,(H2,43,48)(H3,41,44,46)(H3,42,45,47) JMGNWOLSYCKVPR-UHFFFAOYSA-N 50431871 CHEMBL2347629::Spermidine tris-2-NapG C-X-C chemokine receptor type 4 190 ChEMBL 10.1016/j.bmcl.2013.01.107 10.7270/Q2V1266N 23434419 Wilkinson, RA; Pincus, SH; Song, K; Shepard, JB; Weaver, AJ; Labib, ME; Teintze, M Montana State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50431871 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50431871&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 71718363 164160746 CHEMBL2347629 ZINC95604141 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51058764 NC(Nc1cccc2ccccc12)=NCCCCN(CCCN=C(N)Nc1cccc2ccccc12)C(N)=Nc1cccc2ccccc12 InChI=1S/C40H43N9/c41-38(46-35-22-9-16-29-13-1-4-19-32(29)35)44-25-7-8-27-49(40(43)48-37-24-11-18-31-15-3-6-21-34(31)37)28-12-26-45-39(42)47-36-23-10-17-30-14-2-5-20-33(30)36/h1-6,9-11,13-24H,7-8,12,25-28H2,(H2,43,48)(H3,41,44,46)(H3,42,45,47) WYCIMGULZDZOEV-UHFFFAOYSA-N 50431872 CHEMBL2347628::Spermidine tris-1-NapG C-X-C chemokine receptor type 4 110 ChEMBL 10.1016/j.bmcl.2013.01.107 10.7270/Q2V1266N 23434419 Wilkinson, RA; Pincus, SH; Song, K; Shepard, JB; Weaver, AJ; Labib, ME; Teintze, M Montana State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50431872 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50431872&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 71716525 164160747 CHEMBL2347628 ZINC95604735 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51058765 NC(Nc1ccc2ccccc2c1)=NCCCCNCCCN=C(N)Nc1ccc2ccccc2c1 InChI=1S/C29H35N7/c30-28(35-26-14-12-22-8-1-3-10-24(22)20-26)33-18-6-5-16-32-17-7-19-34-29(31)36-27-15-13-23-9-2-4-11-25(23)21-27/h1-4,8-15,20-21,32H,5-7,16-19H2,(H3,30,33,35)(H3,31,34,36) WXOMRQWOWZSVHC-UHFFFAOYSA-N 50431873 CHEMBL2347627::Spermidine bis-2-NapG C-X-C chemokine receptor type 4 62 ChEMBL 10.1016/j.bmcl.2013.01.107 10.7270/Q2V1266N 23434419 Wilkinson, RA; Pincus, SH; Song, K; Shepard, JB; Weaver, AJ; Labib, ME; Teintze, M Montana State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50431873 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50431873&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 71720811 164160748 CHEMBL2347627 ZINC95602437 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51058766 NC(Nc1cccc2ccccc12)=NCCCCNCCCN=C(N)Nc1cccc2ccccc12 InChI=1S/C29H35N7/c30-28(35-26-16-7-12-22-10-1-3-14-24(22)26)33-20-6-5-18-32-19-9-21-34-29(31)36-27-17-8-13-23-11-2-4-15-25(23)27/h1-4,7-8,10-17,32H,5-6,9,18-21H2,(H3,30,33,35)(H3,31,34,36) KMORODMDBUTZGM-UHFFFAOYSA-N 50431874 CHEMBL2347626::Spermidine bis-1-NapG C-X-C chemokine receptor type 4 220 ChEMBL 10.1016/j.bmcl.2013.01.107 10.7270/Q2V1266N 23434419 Wilkinson, RA; Pincus, SH; Song, K; Shepard, JB; Weaver, AJ; Labib, ME; Teintze, M Montana State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50431874 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50431874&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 71716524 164160749 CHEMBL2347626 ZINC95602196 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51058767 NC(NCCCN(CCCCN(CCCN=C(N)Nc1ccccc1)C(N)=Nc1ccccc1)C(=N)Nc1ccccc1)=Nc1ccccc1 InChI=1S/C38H50N12/c39-35(45-31-17-5-1-6-18-31)43-25-15-29-49(37(41)47-33-21-9-3-10-22-33)27-13-14-28-50(38(42)48-34-23-11-4-12-24-34)30-16-26-44-36(40)46-32-19-7-2-8-20-32/h1-12,17-24H,13-16,25-30H2,(H2,41,47)(H2,42,48)(H3,39,43,45)(H3,40,44,46) UXUKCVPKCWDLKG-UHFFFAOYSA-N 50431875 CHEMBL2347625::Spermine tetra-PheG C-X-C chemokine receptor type 4 510 ChEMBL 10.1016/j.bmcl.2013.01.107 10.7270/Q2V1266N 23434419 Wilkinson, RA; Pincus, SH; Song, K; Shepard, JB; Weaver, AJ; Labib, ME; Teintze, M Montana State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50431875 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50431875&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 71589203 164160750 CHEMBL2347625 ZINC95605524 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51058768 NC(Nc1ccccc1)=NCCCCN(CCCN=C(N)Nc1ccccc1)C(=N)Nc1ccccc1 InChI=1S/C28H37N9/c29-26(34-23-13-4-1-5-14-23)32-19-10-11-21-37(28(31)36-25-17-8-3-9-18-25)22-12-20-33-27(30)35-24-15-6-2-7-16-24/h1-9,13-18H,10-12,19-22H2,(H2,31,36)(H3,29,32,34)(H3,30,33,35) ASLYPGQJJKJRQX-UHFFFAOYSA-N 50431876 CHEMBL2347624::Spermidine tris-PheG C-X-C chemokine receptor type 4 280 ChEMBL 10.1016/j.bmcl.2013.01.107 10.7270/Q2V1266N 23434419 Wilkinson, RA; Pincus, SH; Song, K; Shepard, JB; Weaver, AJ; Labib, ME; Teintze, M Montana State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50431876 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50431876&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 71589167 164160751 CHEMBL2347624 ZINC95603238 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51058769 NC(Nc1ccccc1)=NCCCCNCCCN=C(N)Nc1ccccc1 InChI=1S/C21H31N7/c22-20(27-18-10-3-1-4-11-18)25-16-8-7-14-24-15-9-17-26-21(23)28-19-12-5-2-6-13-19/h1-6,10-13,24H,7-9,14-17H2,(H3,22,25,27)(H3,23,26,28) USXUJVQXSFBIBC-UHFFFAOYSA-N 50431877 CHEMBL2347623::Spermidine bis-PheG C-X-C chemokine receptor type 4 260 ChEMBL 10.1016/j.bmcl.2013.01.107 10.7270/Q2V1266N 23434419 Wilkinson, RA; Pincus, SH; Song, K; Shepard, JB; Weaver, AJ; Labib, ME; Teintze, M Montana State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50431877 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50431877&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 71589166 164160752 CHEMBL2347623 ZINC95604382 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51058770 NC(Nc1ccc2ccccc2c1)=NCCCN(CCCCN(CCCN=C(N)Nc1ccc2ccccc2c1)C(N)=Nc1ccc2ccccc2c1)C(N)=Nc1ccc2ccccc2c1 InChI=1S/C54H58N12/c55-51(61-47-25-21-39-13-1-5-17-43(39)35-47)59-29-11-33-65(53(57)63-49-27-23-41-15-3-7-19-45(41)37-49)31-9-10-32-66(54(58)64-50-28-24-42-16-4-8-20-46(42)38-50)34-12-30-60-52(56)62-48-26-22-40-14-2-6-18-44(40)36-48/h1-8,13-28,35-38H,9-12,29-34H2,(H2,57,63)(H2,58,64)(H3,55,59,61)(H3,56,60,62) ZIKDTTGHXGEHOX-UHFFFAOYSA-N 50431878 CHEMBL2347635::Spermine tetra-2-NapG C-X-C chemokine receptor type 4 300 ChEMBL 10.1016/j.bmcl.2013.01.107 10.7270/Q2V1266N 23434419 Wilkinson, RA; Pincus, SH; Song, K; Shepard, JB; Weaver, AJ; Labib, ME; Teintze, M Montana State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50431878 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50431878&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 71716526 164160753 CHEMBL2347635 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51058771 NC(NCCCN(CCCCN(CCCN=C(N)Nc1cccc2ccccc12)C(N)=Nc1cccc2ccccc12)C(=N)Nc1cccc2ccccc12)=Nc1cccc2ccccc12 InChI=1S/C54H58N12/c55-51(61-47-29-11-21-39-17-1-5-25-43(39)47)59-33-15-37-65(53(57)63-49-31-13-23-41-19-3-7-27-45(41)49)35-9-10-36-66(54(58)64-50-32-14-24-42-20-4-8-28-46(42)50)38-16-34-60-52(56)62-48-30-12-22-40-18-2-6-26-44(40)48/h1-8,11-14,17-32H,9-10,15-16,33-38H2,(H2,57,63)(H2,58,64)(H3,55,59,61)(H3,56,60,62) FKXXKCHODAGTCK-UHFFFAOYSA-N 50431879 CHEMBL2347634::Spermine tetra-1-NapG C-X-C chemokine receptor type 4 380 ChEMBL 10.1016/j.bmcl.2013.01.107 10.7270/Q2V1266N 23434419 Wilkinson, RA; Pincus, SH; Song, K; Shepard, JB; Weaver, AJ; Labib, ME; Teintze, M Montana State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50431879 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50431879&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 71719570 164160754 CHEMBL2347634 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51058772 NC(Nc1ccc2ccccc2c1)=NCCCNCCCCN(CCCN=C(N)Nc1ccc2ccccc2c1)C(N)=Nc1ccc2ccccc2c1 InChI=1S/C43H50N10/c44-41(50-38-20-17-32-11-1-4-14-35(32)29-38)48-25-9-24-47-23-7-8-27-53(43(46)52-40-22-19-34-13-3-6-16-37(34)31-40)28-10-26-49-42(45)51-39-21-18-33-12-2-5-15-36(33)30-39/h1-6,11-22,29-31,47H,7-10,23-28H2,(H2,46,52)(H3,44,48,50)(H3,45,49,51) JYWAYBDOFZXUDQ-UHFFFAOYSA-N 50431880 CHEMBL2347633::Spermine tris-2-NapG C-X-C chemokine receptor type 4 93 ChEMBL 10.1016/j.bmcl.2013.01.107 10.7270/Q2V1266N 23434419 Wilkinson, RA; Pincus, SH; Song, K; Shepard, JB; Weaver, AJ; Labib, ME; Teintze, M Montana State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50431880 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50431880&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 71719569 164160755 CHEMBL2347633 ZINC95601429 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51058773 NC(Nc1cccc2ccccc12)=NCCCNCCCCN(CCCN=C(N)Nc1cccc2ccccc12)C(=N)Nc1cccc2ccccc12 InChI=1S/C43H50N10/c44-41(50-38-23-9-17-32-14-1-4-20-35(32)38)48-28-12-27-47-26-7-8-30-53(43(46)52-40-25-11-19-34-16-3-6-22-37(34)40)31-13-29-49-42(45)51-39-24-10-18-33-15-2-5-21-36(33)39/h1-6,9-11,14-25,47H,7-8,12-13,26-31H2,(H2,46,52)(H3,44,48,50)(H3,45,49,51) WXEORFAZCKQUIT-UHFFFAOYSA-N 50431881 CHEMBL2347632::Spermine tris-1-NapG C-X-C chemokine receptor type 4 40 ChEMBL 10.1016/j.bmcl.2013.01.107 10.7270/Q2V1266N 23434419 Wilkinson, RA; Pincus, SH; Song, K; Shepard, JB; Weaver, AJ; Labib, ME; Teintze, M Montana State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50431881 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50431881&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 71680586 164160756 CHEMBL2347632 ZINC95605567 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51058774 NC(Nc1ccc2ccccc2c1)=NCCCNCCCCNCCCN=C(N)Nc1ccc2ccccc2c1 InChI=1S/C32H42N8/c33-31(39-29-15-13-25-9-1-3-11-27(25)23-29)37-21-7-19-35-17-5-6-18-36-20-8-22-38-32(34)40-30-16-14-26-10-2-4-12-28(26)24-30/h1-4,9-16,23-24,35-36H,5-8,17-22H2,(H3,33,37,39)(H3,34,38,40) MNJSVXNFNCDWPB-UHFFFAOYSA-N 50431882 CHEMBL2347631::Spermine bis-2-NapG C-X-C chemokine receptor type 4 110 ChEMBL 10.1016/j.bmcl.2013.01.107 10.7270/Q2V1266N 23434419 Wilkinson, RA; Pincus, SH; Song, K; Shepard, JB; Weaver, AJ; Labib, ME; Teintze, M Montana State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50431882 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50431882&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 71718364 164160757 CHEMBL2347631 ZINC95601833 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51037703 C(N1CCCNCCNCCCNCC1)c1ccc(CN2CCCNCCNCCCNCC2)cc1 InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2 YIQPUIGJQJDJOS-UHFFFAOYSA-N 50035696 1,1''-{1,4-phenylenebis(methylene)}-bis{1,4,8,11-tetraaza-cyclotetradecane}::1,4,8,11-tetraazacyclotetradecanyl[4-(1,4,8,11-tetraazacyclotetradecanylmethyl)phenyl]methane::1,4,8,11-tetraazacyclotetradecanyl[4-(1,4,8,11-tetraazacyclotetradecanylmethyl)phenyl]methane(8HBr.2H2O)::1,4-bis((1,4,8,11-tetraazacyclotetradecan-1-yl)methyl)benzene::11''-xylyl bis-1,4,8,11-tetraazacyclotetradecane::11-{4-[4,8, 11-1,4,8,11tetraaza-cyclotetradec-1-ylmethyl]-benzyl}-1,4,8,11tetraaza-cyclotetradecane-1,4,8-tricarboxylic acid tri-tert-butyl ester::AMD-3100::CHEMBL18442::CHEMBL2311089::PLERIXAFOR::PLERIXAFOR OCTAHYDROCHLORIDE::US9205085, MSX-162 C-X-C chemokine receptor type 4 695 ChEMBL 10.1021/jm100786g 10.7270/Q2PK0GH6 21105715 Zhu, A; Zhan, W; Liang, Z; Yoon, Y; Yang, H; Grossniklaus, HE; Xu, J; Rojas, M; Lockwood, M; Snyder, JP; Liotta, DC; Shim, H Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50035696 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50035696&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 65015 103943663 CHEMBL2311089CHEMBL18442 DB06809 844 ZINC22443609 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50877221 CN1[C@@H](CCCCNC(N)=N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N2CCC[C@H]2C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C1=O InChI=1S/C41H55N11O6/c1-51-33(11-4-5-19-46-40(42)43)36(55)50-32(24-26-13-16-27-8-2-3-9-28(27)22-26)39(58)52-21-7-12-34(52)37(56)49-31(23-25-14-17-29(53)18-15-25)35(54)48-30(38(51)57)10-6-20-47-41(44)45/h2-3,8-9,13-18,22,30-34,53H,4-7,10-12,19-21,23-24H2,1H3,(H,48,54)(H,49,56)(H,50,55)(H4,42,43,46)(H4,44,45,47)/t30-,31+,32-,33-,34-/m0/s1 SATXTTWOVBEXMC-VLGXOXMCSA-N 50263977 CHEMBL4071724 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.8b00336 10.7270/Q23B62M5 29608300 Sekiguchi, H; Kuroyanagi, T; Rhainds, D; Kobayashi, K; Kobayashi, Y; Ohno, H; Heveker, N; Akaji, K; Fujii, N; Oishi, S Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50263977 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50263977&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137638674 404341689 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50877222 CN1[C@@H](CCCNC(N)=O)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N2CCC[C@H]2C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C1=O InChI=1S/C40H52N10O6/c1-49-32(15-8-20-45-40(43)56)35(52)48-31(24-26-17-18-27-12-5-6-13-28(27)22-26)38(55)50-21-9-16-33(50)36(53)47-30(23-25-10-3-2-4-11-25)34(51)46-29(37(49)54)14-7-19-44-39(41)42/h2-6,10-13,17-18,22,29-33H,7-9,14-16,19-21,23-24H2,1H3,(H,46,51)(H,47,53)(H,48,52)(H4,41,42,44)(H3,43,45,56)/t29-,30+,31-,32-,33-/m0/s1 XMUAKSXPSZBDKG-WUXKFAKNSA-N 50263978 CHEMBL4072745 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.8b00336 10.7270/Q23B62M5 29608300 Sekiguchi, H; Kuroyanagi, T; Rhainds, D; Kobayashi, K; Kobayashi, Y; Ohno, H; Heveker, N; Akaji, K; Fujii, N; Oishi, S Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50263978 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50263978&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137639293 404341690 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50877223 CN1[C@@H](CCCNC(N)=O)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N2CCC[C@H]2C(=O)N[C@H](CCc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C1=O InChI=1S/C41H54N10O6/c1-50-33(15-8-22-46-41(44)57)36(53)49-32(25-27-17-19-28-12-5-6-13-29(28)24-27)39(56)51-23-9-16-34(51)37(54)47-30(20-18-26-10-3-2-4-11-26)35(52)48-31(38(50)55)14-7-21-45-40(42)43/h2-6,10-13,17,19,24,30-34H,7-9,14-16,18,20-23,25H2,1H3,(H,47,54)(H,48,52)(H,49,53)(H4,42,43,45)(H3,44,46,57)/t30-,31+,32+,33+,34+/m1/s1 OUEFSOSHCWEGSM-OWIQAHIBSA-N 50263979 CHEMBL4093461 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.8b00336 10.7270/Q23B62M5 29608300 Sekiguchi, H; Kuroyanagi, T; Rhainds, D; Kobayashi, K; Kobayashi, Y; Ohno, H; Heveker, N; Akaji, K; Fujii, N; Oishi, S Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50263979 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50263979&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137656325 404341691 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50877216 CN1[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N2CCC[C@H]2C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCCNC(N)=N)C1=O InChI=1S/C41H55N11O6/c1-51-33(11-6-20-47-41(44)45)36(55)50-32(24-26-13-16-27-8-2-3-9-28(27)22-26)39(58)52-21-7-12-34(52)37(56)49-31(23-25-14-17-29(53)18-15-25)35(54)48-30(38(51)57)10-4-5-19-46-40(42)43/h2-3,8-9,13-18,22,30-34,53H,4-7,10-12,19-21,23-24H2,1H3,(H,48,54)(H,49,56)(H,50,55)(H4,42,43,46)(H4,44,45,47)/t30-,31+,32-,33-,34-/m0/s1 RGWRUUVOEKMYPK-VLGXOXMCSA-N 50263962 CHEMBL4059795 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.8b00336 10.7270/Q23B62M5 29608300 Sekiguchi, H; Kuroyanagi, T; Rhainds, D; Kobayashi, K; Kobayashi, Y; Ohno, H; Heveker, N; Akaji, K; Fujii, N; Oishi, S Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50263962 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50263962&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137636536 404341684 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50877217 CN1[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N2CCC[C@H]2C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@H](CS)C1=O InChI=1S/C37H46N8O6S/c1-44-30(8-4-16-40-37(38)39)33(48)42-28(20-23-10-13-24-6-2-3-7-25(24)18-23)36(51)45-17-5-9-31(45)34(49)41-27(19-22-11-14-26(46)15-12-22)32(47)43-29(21-52)35(44)50/h2-3,6-7,10-15,18,27-31,46,52H,4-5,8-9,16-17,19-21H2,1H3,(H,41,49)(H,42,48)(H,43,47)(H4,38,39,40)/t27-,28+,29-,30+,31+/m1/s1 YEKRTIDIENWFBB-WUWJBHAQSA-N 50263973 CHEMBL4088071 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.8b00336 10.7270/Q23B62M5 29608300 Sekiguchi, H; Kuroyanagi, T; Rhainds, D; Kobayashi, K; Kobayashi, Y; Ohno, H; Heveker, N; Akaji, K; Fujii, N; Oishi, S Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50263973 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50263973&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137644874 404341685 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50877218 CN1[C@@H](CC(N)=O)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N2CCC[C@H]2C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C1=O InChI=1S/C38H47N9O7/c1-46-31(21-32(39)49)35(52)45-29(20-23-10-13-24-6-2-3-7-25(24)18-23)37(54)47-17-5-9-30(47)34(51)44-28(19-22-11-14-26(48)15-12-22)33(50)43-27(36(46)53)8-4-16-42-38(40)41/h2-3,6-7,10-15,18,27-31,48H,4-5,8-9,16-17,19-21H2,1H3,(H2,39,49)(H,43,50)(H,44,51)(H,45,52)(H4,40,41,42)/t27-,28+,29-,30-,31-/m0/s1 JMPHASYFQCDHPA-JZVHMONDSA-N 50263974 CHEMBL4063593 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.8b00336 10.7270/Q23B62M5 29608300 Sekiguchi, H; Kuroyanagi, T; Rhainds, D; Kobayashi, K; Kobayashi, Y; Ohno, H; Heveker, N; Akaji, K; Fujii, N; Oishi, S Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50263974 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50263974&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137635322 404341686 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50877219 CN1[C@@H](CCCNC(N)=O)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N2CCC[C@H]2C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C1=O InChI=1S/C40H52N10O7/c1-49-32(10-5-19-45-40(43)57)35(53)48-31(23-25-12-15-26-7-2-3-8-27(26)21-25)38(56)50-20-6-11-33(50)36(54)47-30(22-24-13-16-28(51)17-14-24)34(52)46-29(37(49)55)9-4-18-44-39(41)42/h2-3,7-8,12-17,21,29-33,51H,4-6,9-11,18-20,22-23H2,1H3,(H,46,52)(H,47,54)(H,48,53)(H4,41,42,44)(H3,43,45,57)/t29-,30+,31-,32-,33-/m0/s1 IJVURLAGVRYBGS-WUXKFAKNSA-N 50263975 CHEMBL4090996 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.8b00336 10.7270/Q23B62M5 29608300 Sekiguchi, H; Kuroyanagi, T; Rhainds, D; Kobayashi, K; Kobayashi, Y; Ohno, H; Heveker, N; Akaji, K; Fujii, N; Oishi, S Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50263975 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50263975&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137644938 404341687 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50877220 CN1[C@@H](CCCN)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N2CCC[C@H]2C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C1=O InChI=1S/C39H51N9O6/c1-47-32(10-4-18-40)35(51)46-31(23-25-12-15-26-7-2-3-8-27(26)21-25)38(54)48-20-6-11-33(48)36(52)45-30(22-24-13-16-28(49)17-14-24)34(50)44-29(37(47)53)9-5-19-43-39(41)42/h2-3,7-8,12-17,21,29-33,49H,4-6,9-11,18-20,22-23,40H2,1H3,(H,44,50)(H,45,52)(H,46,51)(H4,41,42,43)/t29-,30+,31-,32-,33-/m0/s1 IMPZLEFLFPJXSK-WUXKFAKNSA-N 50263976 CHEMBL4063107 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.8b00336 10.7270/Q23B62M5 29608300 Sekiguchi, H; Kuroyanagi, T; Rhainds, D; Kobayashi, K; Kobayashi, Y; Ohno, H; Heveker, N; Akaji, K; Fujii, N; Oishi, S Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50263976 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50263976&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137636455 404341688 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50877229 CN1[C@@H](CCCNC(N)=O)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N2CCC[C@H]2C(=O)N[C@H](Cc2cccc(F)c2)C(=O)N[C@@H](CCCNC(N)=N)C1=O InChI=1S/C40H51FN10O6/c1-50-32(13-6-18-46-40(44)57)35(53)49-31(23-25-15-16-26-9-2-3-10-27(26)20-25)38(56)51-19-7-14-33(51)36(54)48-30(22-24-8-4-11-28(41)21-24)34(52)47-29(37(50)55)12-5-17-45-39(42)43/h2-4,8-11,15-16,20-21,29-33H,5-7,12-14,17-19,22-23H2,1H3,(H,47,52)(H,48,54)(H,49,53)(H4,42,43,45)(H3,44,46,57)/t29-,30+,31-,32-,33-/m0/s1 YSSWAGJEBJHLNP-WUXKFAKNSA-N 50263980 CHEMBL4101207 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.8b00336 10.7270/Q23B62M5 29608300 Sekiguchi, H; Kuroyanagi, T; Rhainds, D; Kobayashi, K; Kobayashi, Y; Ohno, H; Heveker, N; Akaji, K; Fujii, N; Oishi, S Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50263980 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50263980&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137660760 404341692 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50877230 CN1[C@@H](CCCNC(N)=O)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N2CCC[C@H]2C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N[C@@H](CCCNC(N)=N)C1=O InChI=1S/C40H51FN10O6/c1-50-32(10-5-19-46-40(44)57)35(53)49-31(23-25-12-15-26-7-2-3-8-27(26)21-25)38(56)51-20-6-11-33(51)36(54)48-30(22-24-13-16-28(41)17-14-24)34(52)47-29(37(50)55)9-4-18-45-39(42)43/h2-3,7-8,12-17,21,29-33H,4-6,9-11,18-20,22-23H2,1H3,(H,47,52)(H,48,54)(H,49,53)(H4,42,43,45)(H3,44,46,57)/t29-,30+,31-,32-,33-/m0/s1 QTWZNLSSAHWSFG-WUXKFAKNSA-N 50263981 CHEMBL4102116 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.8b00336 10.7270/Q23B62M5 29608300 Sekiguchi, H; Kuroyanagi, T; Rhainds, D; Kobayashi, K; Kobayashi, Y; Ohno, H; Heveker, N; Akaji, K; Fujii, N; Oishi, S Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50263981 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50263981&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137660789 404341693 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50877231 CN1[C@@H](CCCNC(N)=O)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N2CCC[C@H]2C(=O)N[C@H](Cc2ccc(Br)cc2)C(=O)N[C@@H](CCCNC(N)=N)C1=O InChI=1S/C40H51BrN10O6/c1-50-32(10-5-19-46-40(44)57)35(53)49-31(23-25-12-15-26-7-2-3-8-27(26)21-25)38(56)51-20-6-11-33(51)36(54)48-30(22-24-13-16-28(41)17-14-24)34(52)47-29(37(50)55)9-4-18-45-39(42)43/h2-3,7-8,12-17,21,29-33H,4-6,9-11,18-20,22-23H2,1H3,(H,47,52)(H,48,54)(H,49,53)(H4,42,43,45)(H3,44,46,57)/t29-,30+,31-,32-,33-/m0/s1 OZOFZROHDBDKLC-WUXKFAKNSA-N 50263982 CHEMBL4102492 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.8b00336 10.7270/Q23B62M5 29608300 Sekiguchi, H; Kuroyanagi, T; Rhainds, D; Kobayashi, K; Kobayashi, Y; Ohno, H; Heveker, N; Akaji, K; Fujii, N; Oishi, S Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50263982 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50263982&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137659906 404341694 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50877232 CN1[C@@H](CCCNC(N)=O)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N2CCC[C@H]2C(=O)N[C@H](Cc2ccc(cc2)C(=O)c2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C1=O InChI=1S/C47H56N10O7/c1-56-38(15-8-24-52-47(50)64)42(60)55-37(28-30-19-20-31-10-5-6-13-34(31)26-30)45(63)57-25-9-16-39(57)43(61)54-36(41(59)53-35(44(56)62)14-7-23-51-46(48)49)27-29-17-21-33(22-18-29)40(58)32-11-3-2-4-12-32/h2-6,10-13,17-22,26,35-39H,7-9,14-16,23-25,27-28H2,1H3,(H,53,59)(H,54,61)(H,55,60)(H4,48,49,51)(H3,50,52,64)/t35-,36+,37-,38-,39-/m0/s1 KNQYXKCBEKHZME-LIWUZWDESA-N 50263983 CHEMBL4074806 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.8b00336 10.7270/Q23B62M5 29608300 Sekiguchi, H; Kuroyanagi, T; Rhainds, D; Kobayashi, K; Kobayashi, Y; Ohno, H; Heveker, N; Akaji, K; Fujii, N; Oishi, S Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50263983 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50263983&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137651588 404341695 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50877233 CN1[C@@H](CCCNC(N)=O)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N2CCC[C@H]2C(=O)N[C@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CCCNC(N)=N)C1=O InChI=1S/C44H54N10O6/c1-53-36(14-7-21-49-44(47)60)39(56)52-35(26-28-17-19-30-10-3-5-12-32(30)24-28)42(59)54-22-8-15-37(54)40(57)51-34(25-27-16-18-29-9-2-4-11-31(29)23-27)38(55)50-33(41(53)58)13-6-20-48-43(45)46/h2-5,9-12,16-19,23-24,33-37H,6-8,13-15,20-22,25-26H2,1H3,(H,50,55)(H,51,57)(H,52,56)(H4,45,46,48)(H3,47,49,60)/t33-,34+,35-,36-,37-/m0/s1 PEINCWDADMYOAX-NCCXDUJKSA-N 50263984 CHEMBL4067542 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.8b00336 10.7270/Q23B62M5 29608300 Sekiguchi, H; Kuroyanagi, T; Rhainds, D; Kobayashi, K; Kobayashi, Y; Ohno, H; Heveker, N; Akaji, K; Fujii, N; Oishi, S Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50263984 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50263984&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137632681 404341696 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50877234 CN1[C@@H](CCCNC(N)=O)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N2CCC[C@H]2C(=O)N[C@H](Cc2csc3ccccc23)C(=O)N[C@@H](CCCNC(N)=N)C1=O InChI=1S/C42H52N10O6S/c1-51-33(13-7-19-47-42(45)58)37(54)50-32(22-25-16-17-26-9-2-3-10-27(26)21-25)40(57)52-20-8-14-34(52)38(55)49-31(23-28-24-59-35-15-5-4-11-29(28)35)36(53)48-30(39(51)56)12-6-18-46-41(43)44/h2-5,9-11,15-17,21,24,30-34H,6-8,12-14,18-20,22-23H2,1H3,(H,48,53)(H,49,55)(H,50,54)(H4,43,44,46)(H3,45,47,58)/t30-,31+,32-,33-,34-/m0/s1 YTPXYIVSJNRZCQ-VLGXOXMCSA-N 50263985 CHEMBL4078445 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.8b00336 10.7270/Q23B62M5 29608300 Sekiguchi, H; Kuroyanagi, T; Rhainds, D; Kobayashi, K; Kobayashi, Y; Ohno, H; Heveker, N; Akaji, K; Fujii, N; Oishi, S Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50263985 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50263985&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137652168 404341697 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50877238 CN1[C@@H](CCCNC(N)=O)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N2[C@H]3CCCC[C@H]3C[C@H]2C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C1=O InChI=1S/C44H58N10O7/c1-53-36(13-7-21-49-44(47)61)39(57)52-34(24-27-14-17-28-8-2-3-9-29(28)22-27)42(60)54-35-12-5-4-10-30(35)25-37(54)40(58)51-33(23-26-15-18-31(55)19-16-26)38(56)50-32(41(53)59)11-6-20-48-43(45)46/h2-3,8-9,14-19,22,30,32-37,55H,4-7,10-13,20-21,23-25H2,1H3,(H,50,56)(H,51,58)(H,52,57)(H4,45,46,48)(H3,47,49,61)/t30-,32-,33+,34-,35-,36-,37-/m0/s1 DDSWQKTXEANVGQ-KNVMXRCUSA-N 50263986 CHEMBL4102699 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.8b00336 10.7270/Q23B62M5 29608300 Sekiguchi, H; Kuroyanagi, T; Rhainds, D; Kobayashi, K; Kobayashi, Y; Ohno, H; Heveker, N; Akaji, K; Fujii, N; Oishi, S Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50263986 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50263986&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137657155 404341698 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50877254 CN1[C@@H](CCCNC(N)=O)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N2[C@@H](Cc3ccccc23)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C1=O InChI=1S/C44H52N10O7/c1-53-36(13-7-21-49-44(47)61)39(57)52-34(24-27-14-17-28-8-2-3-9-29(28)22-27)42(60)54-35-12-5-4-10-30(35)25-37(54)40(58)51-33(23-26-15-18-31(55)19-16-26)38(56)50-32(41(53)59)11-6-20-48-43(45)46/h2-5,8-10,12,14-19,22,32-34,36-37,55H,6-7,11,13,20-21,23-25H2,1H3,(H,50,56)(H,51,58)(H,52,57)(H4,45,46,48)(H3,47,49,61)/t32-,33+,34-,36-,37-/m0/s1 BPGOESROVOSMPG-CVXAHBFTSA-N 50263987 CHEMBL4086307 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.8b00336 10.7270/Q23B62M5 29608300 Sekiguchi, H; Kuroyanagi, T; Rhainds, D; Kobayashi, K; Kobayashi, Y; Ohno, H; Heveker, N; Akaji, K; Fujii, N; Oishi, S Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50263987 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50263987&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137644796 404341699 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50877266 CN1[C@@H](CCCNC(N)=O)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N2Cc3ccccc3C[C@H]2C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C1=O InChI=1S/C45H54N10O7/c1-54-37(13-7-21-50-45(48)62)40(58)53-36(24-28-14-17-29-8-2-3-9-30(29)22-28)43(61)55-26-32-11-5-4-10-31(32)25-38(55)41(59)52-35(23-27-15-18-33(56)19-16-27)39(57)51-34(42(54)60)12-6-20-49-44(46)47/h2-5,8-11,14-19,22,34-38,56H,6-7,12-13,20-21,23-26H2,1H3,(H,51,57)(H,52,59)(H,53,58)(H4,46,47,49)(H3,48,50,62)/t34-,35+,36-,37-,38-/m0/s1 ALHAYGHGMHOIGZ-VNACGOBZSA-N 50263988 CHEMBL4064824 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.8b00336 10.7270/Q23B62M5 29608300 Sekiguchi, H; Kuroyanagi, T; Rhainds, D; Kobayashi, K; Kobayashi, Y; Ohno, H; Heveker, N; Akaji, K; Fujii, N; Oishi, S Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50263988 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50263988&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137637674 404341700 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50877268 CN1[C@H](CS)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N(C)[C@@H](CCCNC(N)=O)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C1=O InChI=1S/C39H52N10O7S/c1-48-31(10-6-18-44-39(42)56)34(52)47-30(21-24-11-14-25-7-3-4-8-26(25)19-24)37(55)49(2)32(22-57)35(53)46-29(20-23-12-15-27(50)16-13-23)33(51)45-28(36(48)54)9-5-17-43-38(40)41/h3-4,7-8,11-16,19,28-32,50,57H,5-6,9-10,17-18,20-22H2,1-2H3,(H,45,51)(H,46,53)(H,47,52)(H4,40,41,43)(H3,42,44,56)/t28-,29+,30-,31-,32+/m0/s1 DLTLQEFHJJGGMW-AXJWHHPRSA-N 50263989 CHEMBL4073428 C-X-C chemokine receptor type 4 21000 ChEMBL 10.1021/acs.jmedchem.8b00336 10.7270/Q23B62M5 29608300 Sekiguchi, H; Kuroyanagi, T; Rhainds, D; Kobayashi, K; Kobayashi, Y; Ohno, H; Heveker, N; Akaji, K; Fujii, N; Oishi, S Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50263989 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50263989&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137640842 404341701 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50877269 CC[C@H](C)[C@@H]1N(C)C(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=O)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O InChI=1S/C42H58N10O7/c1-5-25(2)35-38(56)49-32(23-26-15-18-30(53)19-16-26)36(54)48-31(12-8-20-46-41(43)44)39(57)51(3)34(13-9-21-47-42(45)59)37(55)50-33(40(58)52(35)4)24-27-14-17-28-10-6-7-11-29(28)22-27/h6-7,10-11,14-19,22,25,31-35,53H,5,8-9,12-13,20-21,23-24H2,1-4H3,(H,48,54)(H,49,56)(H,50,55)(H4,43,44,46)(H3,45,47,59)/t25-,31-,32+,33-,34-,35-/m0/s1 LQUQSRPELHEVFP-FUDVOFFMSA-N 50263990 CHEMBL4064038 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.8b00336 10.7270/Q23B62M5 29608300 Sekiguchi, H; Kuroyanagi, T; Rhainds, D; Kobayashi, K; Kobayashi, Y; Ohno, H; Heveker, N; Akaji, K; Fujii, N; Oishi, S Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50263990 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50263990&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137636041 404341702 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50877270 CSCC[C@@H]1N(C)C(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=O)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O InChI=1S/C41H56N10O7S/c1-50-33(11-7-20-46-41(44)58)36(54)49-32(24-26-12-15-27-8-4-5-9-28(27)22-26)39(57)51(2)34(18-21-59-3)37(55)48-31(23-25-13-16-29(52)17-14-25)35(53)47-30(38(50)56)10-6-19-45-40(42)43/h4-5,8-9,12-17,22,30-34,52H,6-7,10-11,18-21,23-24H2,1-3H3,(H,47,53)(H,48,55)(H,49,54)(H4,42,43,45)(H3,44,46,58)/t30-,31+,32-,33-,34-/m0/s1 LVYPMNORORECSI-VLGXOXMCSA-N 50263991 CHEMBL4102017 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.8b00336 10.7270/Q23B62M5 29608300 Sekiguchi, H; Kuroyanagi, T; Rhainds, D; Kobayashi, K; Kobayashi, Y; Ohno, H; Heveker, N; Akaji, K; Fujii, N; Oishi, S Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50263991 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50263991&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137662172 404341703 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50877271 CN1[C@@H](CCCNC(N)=O)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C1=O InChI=1S/C45H56N10O7/c1-54-37(15-9-23-50-45(48)62)40(58)53-36(26-30-16-19-31-12-6-7-13-32(31)24-30)43(61)55(2)38(27-28-10-4-3-5-11-28)41(59)52-35(25-29-17-20-33(56)21-18-29)39(57)51-34(42(54)60)14-8-22-49-44(46)47/h3-7,10-13,16-21,24,34-38,56H,8-9,14-15,22-23,25-27H2,1-2H3,(H,51,57)(H,52,59)(H,53,58)(H4,46,47,49)(H3,48,50,62)/t34-,35+,36-,37-,38-/m0/s1 HIILIQMWCQCLLY-VNACGOBZSA-N 50263992 CHEMBL4077750 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.8b00336 10.7270/Q23B62M5 29608300 Sekiguchi, H; Kuroyanagi, T; Rhainds, D; Kobayashi, K; Kobayashi, Y; Ohno, H; Heveker, N; Akaji, K; Fujii, N; Oishi, S Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50263992 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50263992&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137649106 404341704 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50877272 CC(C)[C@@H]1N(C)C(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=O)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O InChI=1S/C41H56N10O7/c1-24(2)34-37(55)48-31(22-25-14-17-29(52)18-15-25)35(53)47-30(11-7-19-45-40(42)43)38(56)50(3)33(12-8-20-46-41(44)58)36(54)49-32(39(57)51(34)4)23-26-13-16-27-9-5-6-10-28(27)21-26/h5-6,9-10,13-18,21,24,30-34,52H,7-8,11-12,19-20,22-23H2,1-4H3,(H,47,53)(H,48,55)(H,49,54)(H4,42,43,45)(H3,44,46,58)/t30-,31+,32-,33-,34-/m0/s1 LDHDUTWOTJSOQM-VLGXOXMCSA-N 50264001 CHEMBL4083114 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.8b00336 10.7270/Q23B62M5 29608300 Sekiguchi, H; Kuroyanagi, T; Rhainds, D; Kobayashi, K; Kobayashi, Y; Ohno, H; Heveker, N; Akaji, K; Fujii, N; Oishi, S Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50264001 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50264001&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137647937 404341705 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50877273 CN1[C@@H](CCCNC(N)=O)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N(C)[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C1=O InChI=1S/C45H56N10O8/c1-54-37(10-6-22-50-45(48)63)40(59)53-36(25-29-11-16-30-7-3-4-8-31(30)23-29)43(62)55(2)38(26-28-14-19-33(57)20-15-28)41(60)52-35(24-27-12-17-32(56)18-13-27)39(58)51-34(42(54)61)9-5-21-49-44(46)47/h3-4,7-8,11-20,23,34-38,56-57H,5-6,9-10,21-22,24-26H2,1-2H3,(H,51,58)(H,52,60)(H,53,59)(H4,46,47,49)(H3,48,50,63)/t34-,35+,36-,37-,38-/m0/s1 DDVNDJJKZAGRAO-VNACGOBZSA-N 50264002 CHEMBL4072634 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.8b00336 10.7270/Q23B62M5 29608300 Sekiguchi, H; Kuroyanagi, T; Rhainds, D; Kobayashi, K; Kobayashi, Y; Ohno, H; Heveker, N; Akaji, K; Fujii, N; Oishi, S Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50264002 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50264002&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137639137 404341706 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50877410 CN1[C@@H](CCCNC(N)=O)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N(C)[C@@H](Cc2cccc3ccccc23)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C1=O InChI=1S/C49H58N10O7/c1-58-41(17-9-25-54-49(52)66)44(62)57-40(28-31-18-21-32-10-3-4-12-34(32)26-31)47(65)59(2)42(29-35-14-7-13-33-11-5-6-15-37(33)35)45(63)56-39(27-30-19-22-36(60)23-20-30)43(61)55-38(46(58)64)16-8-24-53-48(50)51/h3-7,10-15,18-23,26,38-42,60H,8-9,16-17,24-25,27-29H2,1-2H3,(H,55,61)(H,56,63)(H,57,62)(H4,50,51,53)(H3,52,54,66)/t38-,39+,40-,41-,42-/m0/s1 KNNZNIYGBLJIFV-GDLMWWPGSA-N 50264003 CHEMBL4093348 C-X-C chemokine receptor type 4 17000 ChEMBL 10.1021/acs.jmedchem.8b00336 10.7270/Q23B62M5 29608300 Sekiguchi, H; Kuroyanagi, T; Rhainds, D; Kobayashi, K; Kobayashi, Y; Ohno, H; Heveker, N; Akaji, K; Fujii, N; Oishi, S Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50264003 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50264003&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137655630 404341707 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50877411 CN1[C@@H](CCCNC(N)=O)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N(C)[C@@H](Cc2csc3ccccc23)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C1=O InChI=1S/C47H56N10O7S/c1-56-38(13-8-22-52-47(50)64)42(60)55-37(25-29-15-18-30-9-3-4-10-31(30)23-29)45(63)57(2)39(26-32-27-65-40-14-6-5-11-34(32)40)43(61)54-36(24-28-16-19-33(58)20-17-28)41(59)53-35(44(56)62)12-7-21-51-46(48)49/h3-6,9-11,14-20,23,27,35-39,58H,7-8,12-13,21-22,24-26H2,1-2H3,(H,53,59)(H,54,61)(H,55,60)(H4,48,49,51)(H3,50,52,64)/t35-,36+,37-,38-,39-/m0/s1 JDUAHZJGIMRSCV-LIWUZWDESA-N 50264004 CHEMBL4071592 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.8b00336 10.7270/Q23B62M5 29608300 Sekiguchi, H; Kuroyanagi, T; Rhainds, D; Kobayashi, K; Kobayashi, Y; Ohno, H; Heveker, N; Akaji, K; Fujii, N; Oishi, S Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50264004 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50264004&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137638093 404341708 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50877412 CN1[C@@H](CCCNC(N)=O)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N(C)[C@@H](Cc2ccc(cc2)-c2ccccc2)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C1=O InChI=1S/C51H60N10O7/c1-60-43(15-9-27-56-51(54)68)46(64)59-42(30-34-18-23-36-12-6-7-13-38(36)28-34)49(67)61(2)44(31-33-16-21-37(22-17-33)35-10-4-3-5-11-35)47(65)58-41(29-32-19-24-39(62)25-20-32)45(63)57-40(48(60)66)14-8-26-55-50(52)53/h3-7,10-13,16-25,28,40-44,62H,8-9,14-15,26-27,29-31H2,1-2H3,(H,57,63)(H,58,65)(H,59,64)(H4,52,53,55)(H3,54,56,68)/t40-,41+,42-,43-,44-/m0/s1 RQVLRKYMZVWACJ-RSKNNDJWSA-N 50264005 CHEMBL4062608 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.8b00336 10.7270/Q23B62M5 29608300 Sekiguchi, H; Kuroyanagi, T; Rhainds, D; Kobayashi, K; Kobayashi, Y; Ohno, H; Heveker, N; Akaji, K; Fujii, N; Oishi, S Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50264005 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50264005&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137636198 404341709 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50877413 CN1[C@@H](CCCNC(N)=O)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C1=O InChI=1S/C46H55N11O7/c1-57-39(13-7-21-51-46(49)64)43(62)56-37(24-28-14-17-29-8-2-3-9-30(29)22-28)41(60)55-38(25-31-26-52-34-11-5-4-10-33(31)34)42(61)54-36(23-27-15-18-32(58)19-16-27)40(59)53-35(44(57)63)12-6-20-50-45(47)48/h2-5,8-11,14-19,22,26,35-39,52,58H,6-7,12-13,20-21,23-25H2,1H3,(H,53,59)(H,54,61)(H,55,60)(H,56,62)(H4,47,48,50)(H3,49,51,64)/t35-,36+,37-,38-,39-/m0/s1 BHZWLXJZXDGAGY-LIWUZWDESA-N 50264006 CHEMBL4090573 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.8b00336 10.7270/Q23B62M5 29608300 Sekiguchi, H; Kuroyanagi, T; Rhainds, D; Kobayashi, K; Kobayashi, Y; Ohno, H; Heveker, N; Akaji, K; Fujii, N; Oishi, S Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50264006 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50264006&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137644260 404341710 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50877414 CN1[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N2CCC[C@H]2C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(O)=O)C1=O InChI=1S/C38H46N8O8/c1-45-30(8-4-16-41-38(39)40)34(51)44-28(20-23-10-13-24-6-2-3-7-25(24)18-23)37(54)46-17-5-9-31(46)35(52)42-27(19-22-11-14-26(47)15-12-22)33(50)43-29(36(45)53)21-32(48)49/h2-3,6-7,10-15,18,27-31,47H,4-5,8-9,16-17,19-21H2,1H3,(H,42,52)(H,43,50)(H,44,51)(H,48,49)(H4,39,40,41)/t27-,28+,29+,30+,31+/m1/s1 WTLICOBBFYZTAF-LVIOGHJBSA-N 50264044 CHEMBL4082759 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.8b00336 10.7270/Q23B62M5 29608300 Sekiguchi, H; Kuroyanagi, T; Rhainds, D; Kobayashi, K; Kobayashi, Y; Ohno, H; Heveker, N; Akaji, K; Fujii, N; Oishi, S Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50264044 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50264044&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137648152 404341711 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50877415 CN1[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N2CCC[C@H]2C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCC(O)=O)C1=O InChI=1S/C39H48N8O8/c1-46-31(8-4-18-42-39(40)41)35(52)45-30(22-24-10-13-25-6-2-3-7-26(25)20-24)38(55)47-19-5-9-32(47)36(53)44-29(21-23-11-14-27(48)15-12-23)34(51)43-28(37(46)54)16-17-33(49)50/h2-3,6-7,10-15,20,28-32,48H,4-5,8-9,16-19,21-22H2,1H3,(H,43,51)(H,44,53)(H,45,52)(H,49,50)(H4,40,41,42)/t28-,29+,30-,31-,32-/m0/s1 WOGMXBNPIOFTKS-RTMXLORFSA-N 50264045 CHEMBL4093035 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.8b00336 10.7270/Q23B62M5 29608300 Sekiguchi, H; Kuroyanagi, T; Rhainds, D; Kobayashi, K; Kobayashi, Y; Ohno, H; Heveker, N; Akaji, K; Fujii, N; Oishi, S Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50264045 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50264045&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137653243 404341712 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50877416 CN1[C@@H](CC(O)=O)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N2CCC[C@H]2C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C1=O InChI=1S/C38H46N8O8/c1-45-31(21-32(48)49)35(52)44-29(20-23-10-13-24-6-2-3-7-25(24)18-23)37(54)46-17-5-9-30(46)34(51)43-28(19-22-11-14-26(47)15-12-22)33(50)42-27(36(45)53)8-4-16-41-38(39)40/h2-3,6-7,10-15,18,27-31,47H,4-5,8-9,16-17,19-21H2,1H3,(H,42,50)(H,43,51)(H,44,52)(H,48,49)(H4,39,40,41)/t27-,28+,29-,30-,31-/m0/s1 JZFNBLILBRCOBC-JZVHMONDSA-N 50264049 CHEMBL4072277 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.8b00336 10.7270/Q23B62M5 29608300 Sekiguchi, H; Kuroyanagi, T; Rhainds, D; Kobayashi, K; Kobayashi, Y; Ohno, H; Heveker, N; Akaji, K; Fujii, N; Oishi, S Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50264049 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50264049&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137639743 404341713 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50877417 CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)N(C)C1=O InChI=1S/C40H52N8O6/c1-4-24(2)34-39(54)47(3)32(11-7-19-43-40(41)42)36(51)45-31(23-26-13-16-27-9-5-6-10-28(27)21-26)38(53)48-20-8-12-33(48)37(52)44-30(35(50)46-34)22-25-14-17-29(49)18-15-25/h5-6,9-10,13-18,21,24,30-34,49H,4,7-8,11-12,19-20,22-23H2,1-3H3,(H,44,52)(H,45,51)(H,46,50)(H4,41,42,43)/t24-,30+,31-,32-,33-,34-/m0/s1 GOBOQUBZDOONLG-RYRHILDHSA-N 50263853 CHEMBL4063675 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.8b00336 10.7270/Q23B62M5 29608300 Sekiguchi, H; Kuroyanagi, T; Rhainds, D; Kobayashi, K; Kobayashi, Y; Ohno, H; Heveker, N; Akaji, K; Fujii, N; Oishi, S Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50263853 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50263853&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137634879 404341671 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50877418 CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)N(C)C1=O InChI=1S/C40H52N8O6/c1-24(2)20-31-38(53)47(3)33(10-6-18-43-40(41)42)36(51)46-32(23-26-12-15-27-8-4-5-9-28(27)21-26)39(54)48-19-7-11-34(48)37(52)44-30(35(50)45-31)22-25-13-16-29(49)17-14-25/h4-5,8-9,12-17,21,24,30-34,49H,6-7,10-11,18-20,22-23H2,1-3H3,(H,44,52)(H,45,50)(H,46,51)(H4,41,42,43)/t30-,31+,32+,33+,34+/m1/s1 KCQYIJFLVKVRKG-OWIQAHIBSA-N 50263854 CHEMBL4075034 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.8b00336 10.7270/Q23B62M5 29608300 Sekiguchi, H; Kuroyanagi, T; Rhainds, D; Kobayashi, K; Kobayashi, Y; Ohno, H; Heveker, N; Akaji, K; Fujii, N; Oishi, S Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50263854 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50263854&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137650158 404341672 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50877419 CN1[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N2CCC[C@H]2C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C1=O InChI=1S/C43H50N8O6/c1-50-36(13-7-21-46-43(44)45)39(54)49-35(26-29-15-18-30-11-5-6-12-31(30)23-29)42(57)51-22-8-14-37(51)40(55)47-33(24-28-16-19-32(52)20-17-28)38(53)48-34(41(50)56)25-27-9-3-2-4-10-27/h2-6,9-12,15-20,23,33-37,52H,7-8,13-14,21-22,24-26H2,1H3,(H,47,55)(H,48,53)(H,49,54)(H4,44,45,46)/t33-,34+,35+,36+,37+/m1/s1 CIGPSIAAKQPWFG-RKGCBODKSA-N 50263878 CHEMBL4085246 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.8b00336 10.7270/Q23B62M5 29608300 Sekiguchi, H; Kuroyanagi, T; Rhainds, D; Kobayashi, K; Kobayashi, Y; Ohno, H; Heveker, N; Akaji, K; Fujii, N; Oishi, S Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50263878 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50263878&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137648481 404341674 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50877420 CN1[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N2CCC[C@H]2C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C1=O InChI=1S/C39H48N8O6/c1-45-31(9-4-18-42-39(40)41)34(49)43-30(23-25-12-15-26-7-2-3-8-27(26)21-25)36(51)46-19-5-10-32(46)35(50)44-29(22-24-13-16-28(48)17-14-24)37(52)47-20-6-11-33(47)38(45)53/h2-3,7-8,12-17,21,29-33,48H,4-6,9-11,18-20,22-23H2,1H3,(H,43,49)(H,44,50)(H4,40,41,42)/t29-,30+,31+,32+,33+/m1/s1 IHNPCMQXILBRLO-UZYORVLWSA-N 50264050 CHEMBL4103175 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.8b00336 10.7270/Q23B62M5 29608300 Sekiguchi, H; Kuroyanagi, T; Rhainds, D; Kobayashi, K; Kobayashi, Y; Ohno, H; Heveker, N; Akaji, K; Fujii, N; Oishi, S Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50264050 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50264050&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137658374 404341714 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50877421 CN1[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N2CCC[C@H]2C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CO)C1=O InChI=1S/C37H46N8O7/c1-44-30(8-4-16-40-37(38)39)33(49)42-28(20-23-10-13-24-6-2-3-7-25(24)18-23)36(52)45-17-5-9-31(45)34(50)41-27(19-22-11-14-26(47)15-12-22)32(48)43-29(21-46)35(44)51/h2-3,6-7,10-15,18,27-31,46-47H,4-5,8-9,16-17,19-21H2,1H3,(H,41,50)(H,42,49)(H,43,48)(H4,38,39,40)/t27-,28+,29+,30+,31+/m1/s1 UJQXTFFFQMOHCE-LVIOGHJBSA-N 50263879 CHEMBL4092988 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.8b00336 10.7270/Q23B62M5 29608300 Sekiguchi, H; Kuroyanagi, T; Rhainds, D; Kobayashi, K; Kobayashi, Y; Ohno, H; Heveker, N; Akaji, K; Fujii, N; Oishi, S Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50263879 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50263879&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137655149 404341675 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50877422 CN1[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N2CCC[C@H]2C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O InChI=1S/C45H51N9O6/c1-53-38(12-6-20-48-45(46)47)41(57)52-36(24-28-14-17-29-8-2-3-9-30(29)22-28)44(60)54-21-7-13-39(54)42(58)50-35(23-27-15-18-32(55)19-16-27)40(56)51-37(43(53)59)25-31-26-49-34-11-5-4-10-33(31)34/h2-5,8-11,14-19,22,26,35-39,49,55H,6-7,12-13,20-21,23-25H2,1H3,(H,50,58)(H,51,56)(H,52,57)(H4,46,47,48)/t35-,36+,37+,38+,39+/m1/s1 DOUFOYKHURLJMT-MEBUQTMISA-N 50264051 CHEMBL4061399 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.8b00336 10.7270/Q23B62M5 29608300 Sekiguchi, H; Kuroyanagi, T; Rhainds, D; Kobayashi, K; Kobayashi, Y; Ohno, H; Heveker, N; Akaji, K; Fujii, N; Oishi, S Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50264051 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50264051&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137637520 404341715 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50877423 CN1[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N2CCC[C@H]2C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C1=O InChI=1S/C43H50N8O7/c1-50-36(8-4-20-46-43(44)45)39(55)49-35(25-28-10-15-29-6-2-3-7-30(29)22-28)42(58)51-21-5-9-37(51)40(56)47-33(23-26-11-16-31(52)17-12-26)38(54)48-34(41(50)57)24-27-13-18-32(53)19-14-27/h2-3,6-7,10-19,22,33-37,52-53H,4-5,8-9,20-21,23-25H2,1H3,(H,47,56)(H,48,54)(H,49,55)(H4,44,45,46)/t33-,34+,35+,36+,37+/m1/s1 VNLDBIQVDNGTTJ-RKGCBODKSA-N 50263895 CHEMBL4073931 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.8b00336 10.7270/Q23B62M5 29608300 Sekiguchi, H; Kuroyanagi, T; Rhainds, D; Kobayashi, K; Kobayashi, Y; Ohno, H; Heveker, N; Akaji, K; Fujii, N; Oishi, S Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50263895 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50263895&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137640505 404341677 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50877424 CN1[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N2CCC[C@H]2C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2cnc[nH]2)C1=O InChI=1S/C40H48N10O6/c1-49-33(8-4-16-44-40(41)42)36(53)48-31(20-25-10-13-26-6-2-3-7-27(26)18-25)39(56)50-17-5-9-34(50)37(54)46-30(19-24-11-14-29(51)15-12-24)35(52)47-32(38(49)55)21-28-22-43-23-45-28/h2-3,6-7,10-15,18,22-23,30-34,51H,4-5,8-9,16-17,19-21H2,1H3,(H,43,45)(H,46,54)(H,47,52)(H,48,53)(H4,41,42,44)/t30-,31+,32+,33+,34+/m1/s1 ZRWZOQJSBCWWKE-OWIQAHIBSA-N 50263940 CHEMBL4084265 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.8b00336 10.7270/Q23B62M5 29608300 Sekiguchi, H; Kuroyanagi, T; Rhainds, D; Kobayashi, K; Kobayashi, Y; Ohno, H; Heveker, N; Akaji, K; Fujii, N; Oishi, S Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50263940 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50263940&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137645641 404341679 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50877425 CN1[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N2CCC[C@H]2C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCCN)C1=O InChI=1S/C40H53N9O6/c1-48-33(11-6-20-44-40(42)43)36(52)47-32(24-26-13-16-27-8-2-3-9-28(27)22-26)39(55)49-21-7-12-34(49)37(53)46-31(23-25-14-17-29(50)18-15-25)35(51)45-30(38(48)54)10-4-5-19-41/h2-3,8-9,13-18,22,30-34,50H,4-7,10-12,19-21,23-24,41H2,1H3,(H,45,51)(H,46,53)(H,47,52)(H4,42,43,44)/t30-,31+,32-,33-,34-/m0/s1 YWEINRYHRWHUBI-VLGXOXMCSA-N 50264052 CHEMBL4071198 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.8b00336 10.7270/Q23B62M5 29608300 Sekiguchi, H; Kuroyanagi, T; Rhainds, D; Kobayashi, K; Kobayashi, Y; Ohno, H; Heveker, N; Akaji, K; Fujii, N; Oishi, S Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50264052 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50264052&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137638059 404341716 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50877426 CN1[C@@H](CCCNC(N)=O)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N2CCC[C@H]2C(=O)N[C@H](Cc2ccc(cc2)[N+]([O-])=O)C(=O)N[C@@H](CCCNC(N)=N)C1=O InChI=1S/C40H51N11O8/c1-49-32(10-5-19-45-40(43)57)35(53)48-31(23-25-12-15-26-7-2-3-8-27(26)21-25)38(56)50-20-6-11-33(50)36(54)47-30(22-24-13-16-28(17-14-24)51(58)59)34(52)46-29(37(49)55)9-4-18-44-39(41)42/h2-3,7-8,12-17,21,29-33H,4-6,9-11,18-20,22-23H2,1H3,(H,46,52)(H,47,54)(H,48,53)(H4,41,42,44)(H3,43,45,57)/t29-,30+,31-,32-,33-/m0/s1 YZFGOJPPWBYOSZ-WUXKFAKNSA-N 50263942 CHEMBL4059514 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.8b00336 10.7270/Q23B62M5 29608300 Sekiguchi, H; Kuroyanagi, T; Rhainds, D; Kobayashi, K; Kobayashi, Y; Ohno, H; Heveker, N; Akaji, K; Fujii, N; Oishi, S Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50263942 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50263942&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137636313 404341681 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50878181 CN1[C@@H](CCCNC(N)=O)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N2Cc3c(C[C@H]2C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C1=O)[nH]c1ccccc31 InChI=1S/C47H55N11O7/c1-57-39(13-7-21-52-47(50)65)42(61)56-38(24-28-14-17-29-8-2-3-9-30(29)22-28)45(64)58-26-33-32-10-4-5-11-34(32)53-36(33)25-40(58)43(62)55-37(23-27-15-18-31(59)19-16-27)41(60)54-35(44(57)63)12-6-20-51-46(48)49/h2-5,8-11,14-19,22,35,37-40,53,59H,6-7,12-13,20-21,23-26H2,1H3,(H,54,60)(H,55,62)(H,56,61)(H4,48,49,51)(H3,50,52,65)/t35-,37+,38-,39-,40-/m0/s1 JANIBDQKPPXRMU-LLEZEORVSA-N 50264093 CHEMBL4094069 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.8b00336 10.7270/Q23B62M5 29608300 Sekiguchi, H; Kuroyanagi, T; Rhainds, D; Kobayashi, K; Kobayashi, Y; Ohno, H; Heveker, N; Akaji, K; Fujii, N; Oishi, S Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50264093 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50264093&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137655887 104112214 ZINC13308358 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388208 NCCCCN(Cc1nccc2c1[nH]c1ccccc21)C1CCCc2cccnc12 221714 US9314468, Table 7, Compound 1 C-X-C chemokine receptor type 4 142 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221714 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221714&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 44242663 335960672 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388209 Cn1c(CN(CCCCN)C2CCCc3cccnc23)nnc1-c1ccccc1 InChI=1S/C23H30N6/c1-28-21(26-27-23(28)19-9-3-2-4-10-19)17-29(16-6-5-14-24)20-13-7-11-18-12-8-15-25-22(18)20/h2-4,8-10,12,15,20H,5-7,11,13-14,16-17,24H2,1H3 IQXADRSWBMCYJU-UHFFFAOYSA-N 221715 US9314468, Table 7, Compound 2 C-X-C chemokine receptor type 4 3200 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221715 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221715&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 44242331 335960673 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388210 C(CCN(Cc1nccc2c3ccccc3[nH]c12)C1CCCc2cccnc12)CNC1=NCCN1 221716 US9314468, Table 7, Compound 3 C-X-C chemokine receptor type 4 1666 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221716 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221716&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 44242735 335960674 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388211 C(CCN(Cc1nccc2c1[nH]c1ccccc21)C1CCCc2cccnc12)CNCc1ccccn1 221717 US9314468, Table 7, Compound 4 C-X-C chemokine receptor type 4 5100 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221717 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221717&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 70923310 335960675 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388212 NCCCCN(Cc1nccc2c3ccc(F)cc3[nH]c12)C1CCCc2cccnc12 221725 US9314468, Table 7, Compound 12 C-X-C chemokine receptor type 4 565 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221725 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221725&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 70924218 335960676 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388213 C(CCN(Cc1nccc2c3ccccc3[nH]c12)C1CCCc2cccnc12)CNCC1CC1 221727 US9314468, Table 7, Compound 14 C-X-C chemokine receptor type 4 729 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221727 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221727&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 70924138 335960677 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388214 CCNCCCCN(Cc1nccc2c3ccccc3[nH]c12)C1CCCc2cccnc12 221728 US9314468, Table 7, Compound 15 C-X-C chemokine receptor type 4 168 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221728 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221728&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 70924220 335960678 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388215 CN(C)C(=O)NCCCCN(Cc1nccc2c3ccccc3[nH]c12)C1CCCc2cccnc12 221729 US9314468, Table 7, Compound 16 C-X-C chemokine receptor type 4 38 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221729 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221729&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 70924219 335960679 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388216 CC(=O)NCCCCN(Cc1nccc2c3ccccc3[nH]c12)C1CCCc2cccnc12 221730 US9314468, Table 7, Compound 17 C-X-C chemokine receptor type 4 1720 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221730 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221730&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 70924231 335960680 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388217 CS(=O)(=O)N1CCN(CCN(Cc2nccc3c4ccccc4[nH]c23)C2CCCc3cccnc23)CC1 221736 US9314468, Table 7, Compound 23 C-X-C chemokine receptor type 4 9999 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221736 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221736&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 70924194 335960681 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388218 NCCCCN(Cc1cc2c(cn1)[nH]c1ccccc21)C1CCCc2cccnc12 221737 US9314468, Table 7, Compound 24 C-X-C chemokine receptor type 4 69 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221737 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221737&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 59176482 335960682 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388219 Cn1c2ccccc2c2ccnc(CN(CCCCN)C3CCCc4cccnc34)c12 InChI=1S/C26H31N5/c1-30-23-11-3-2-10-20(23)21-13-16-28-22(26(21)30)18-31(17-5-4-14-27)24-12-6-8-19-9-7-15-29-25(19)24/h2-3,7,9-11,13,15-16,24H,4-6,8,12,14,17-18,27H2,1H3 WMXHNYCIMIWIHK-UHFFFAOYSA-N 221738 US9314468, Table 7, Compound 25 C-X-C chemokine receptor type 4 10 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221738 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221738&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 59176527 335960683 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388220 C(CN(Cc1nccc2c3ccccc3[nH]c12)C1CCCc2cccnc12)CN1CCNCC1 221740 US9314468, Table 7, Compound 27 C-X-C chemokine receptor type 4 18 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221740 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221740&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 70923321 335960684 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388221 CC(C)(C)C(=O)N1CCN(CCCN(Cc2nccc3c4ccccc4[nH]c23)C2CCCc3cccnc23)CC1 221741 US9314468, Table 7, Compound 28 C-X-C chemokine receptor type 4 1930 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221741 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221741&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 70924193 335960685 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388222 C(CCN1CCNCC1)CN(Cc1nccc2c3ccccc3[nH]c12)C1CCCc2cccnc12 221743 US9314468, Table 7, Compound 30 C-X-C chemokine receptor type 4 1955 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221743 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221743&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 70924201 335960686 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388223 Cn1c2ccccc2c2ccnc(CN(CCCCN)[C@H]3CCCc4cccnc34)c12 InChI=1S/C26H31N5/c1-30-23-11-3-2-10-20(23)21-13-16-28-22(26(21)30)18-31(17-5-4-14-27)24-12-6-8-19-9-7-15-29-25(19)24/h2-3,7,9-11,13,15-16,24H,4-6,8,12,14,17-18,27H2,1H3/t24-/m0/s1 WMXHNYCIMIWIHK-DEOSSOPVSA-N 221744 US9314468, Table 7, Compound 31 C-X-C chemokine receptor type 4 22 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221744 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221744&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 59176638 335960687 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388224 CCNCCCCN(Cc1nccc2c3ccccc3[nH]c12)[C@H]1CCCc2cccnc12 221745 US9314468, Table 7, Compound 32 C-X-C chemokine receptor type 4 699 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221745 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221745&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 70924166 335960688 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388225 C(CCN(Cc1nccc2c3ccccc3[nH]c12)[C@H]1CCCc2cccnc12)CNCC1CC1 221747 US9314468, Table 7, Compound 34 C-X-C chemokine receptor type 4 451 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221747 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221747&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 70924169 335960689 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388226 C(CN(Cc1nccc2c3ccccc3[nH]c12)[C@H]1CCCc2cccnc12)CN1CCNCC1 221752 US9314468, Table 7, Compound 39 C-X-C chemokine receptor type 4 87 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221752 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221752&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 70924205 335960690 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388227 NCCCCN(Cc1nccc2c1[nH]c1ccccc21)[C@H]1CCCc2cccnc12 221755 US9314468, Table 7, Compound 42 C-X-C chemokine receptor type 4 30 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221755 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221755&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 70924213 335960691 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388228 NCCCCN(Cc1nccc2c1[nH]c1ccccc21)[C@@H]1CCCc2cccnc12 221756 US9314468, Table 7, Compound 43 C-X-C chemokine receptor type 4 1340 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221756 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221756&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 70924203 335960692 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388229 NCCCCN(Cc1cc2c(cn1)[nH]c1ccccc21)[C@@H]1CCCc2cccnc12 221757 US9314468, Table 7, Compound 44 C-X-C chemokine receptor type 4 1180 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221757 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221757&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 59176619 335960693 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388230 NCCCCN(Cc1cc2c(cn1)[nH]c1ccccc21)[C@H]1CCCc2cccnc12 221758 US9314468, Table 7, Compound 45 C-X-C chemokine receptor type 4 100 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221758 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221758&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 59176443 335960694 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388231 CC(C)(C)OC(=O)Cn1c2ccccc2c2ccnc(CN[C@H]3CCCc4cccnc34)c12 InChI=1S/C27H30N4O2/c1-27(2,3)33-24(32)17-31-23-12-5-4-10-19(23)20-13-15-28-22(26(20)31)16-30-21-11-6-8-18-9-7-14-29-25(18)21/h4-5,7,9-10,12-15,21,30H,6,8,11,16-17H2,1-3H3/t21-/m0/s1 PKCQUNGFEWNMCR-NRFANRHFSA-N 221759 US9314468, Table 7, Compound 46 C-X-C chemokine receptor type 4 2810 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221759 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221759&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 59176563 335960695 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388232 CC(C)(C)OC(=O)Cn1c2ccccc2c2ccnc(CN(CCCCN)[C@H]3CCCc4cccnc34)c12 InChI=1S/C31H39N5O2/c1-31(2,3)38-28(37)21-36-26-13-5-4-12-23(26)24-15-18-33-25(30(24)36)20-35(19-7-6-16-32)27-14-8-10-22-11-9-17-34-29(22)27/h4-5,9,11-13,15,17-18,27H,6-8,10,14,16,19-21,32H2,1-3H3/t27-/m0/s1 DMDKSTXUAWRNLR-MHZLTWQESA-N 221760 US9314468, Table 7, Compound 47 C-X-C chemokine receptor type 4 1 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221760 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221760&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 44470245 335960696 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388233 NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)N3CCOCC3)c12)[C@H]1CCCc2cccnc12 InChI=1S/C31H38N6O2/c32-13-3-4-16-36(28-11-5-7-23-8-6-14-34-30(23)28)21-26-31-25(12-15-33-26)24-9-1-2-10-27(24)37(31)22-29(38)35-17-19-39-20-18-35/h1-2,6,8-10,12,14-15,28H,3-5,7,11,13,16-22,32H2/t28-/m0/s1 PBOCFANSMNVTHY-NDEPHWFRSA-N 221761 US9314468, Table 7, Compound 48::US9314468, Table 9, Compound 1 C-X-C chemokine receptor type 4 79 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221761 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221761&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 59176381 335960697 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388234 NCCCCN(Cc1ccccn1)Cc1nccc2c3ccccc3[nH]c12 InChI=1S/C22H25N5/c23-11-4-6-14-27(15-17-7-3-5-12-24-17)16-21-22-19(10-13-25-21)18-8-1-2-9-20(18)26-22/h1-3,5,7-10,12-13,26H,4,6,11,14-16,23H2 JPODKGBHEFBGOW-UHFFFAOYSA-N 221762 US9314468, Table 7, Compound 49 C-X-C chemokine receptor type 4 1970 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221762 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221762&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 44241788 335960698 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388235 Cn1c2ccccc2c2cc(CN(CCCCN)[C@H]3CCCc4cccnc34)ncc12 InChI=1S/C26H31N5/c1-30-23-11-3-2-10-21(23)22-16-20(29-17-25(22)30)18-31(15-5-4-13-27)24-12-6-8-19-9-7-14-28-26(19)24/h2-3,7,9-11,14,16-17,24H,4-6,8,12-13,15,18,27H2,1H3/t24-/m0/s1 FLQIPSJEOPVBPV-DEOSSOPVSA-N 221763 US9314468, Table 7, Compound 50 C-X-C chemokine receptor type 4 57 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221763 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221763&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 59176510 335960699 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388236 C(CN(Cc1cc2c(cn1)[nH]c1ccccc21)[C@H]1CCCc2cccnc12)CN1CCNCC1 221766 US9314468, Table 7, Compound 53 C-X-C chemokine receptor type 4 331 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221766 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221766&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 59176471 335960700 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388237 NCCCCN(Cc1cc2c(cn1)n(CC(O)=O)c1ccccc21)[C@H]1CCCc2cccnc12 InChI=1S/C27H31N5O2/c28-12-3-4-14-31(24-11-5-7-19-8-6-13-29-27(19)24)17-20-15-22-21-9-1-2-10-23(21)32(18-26(33)34)25(22)16-30-20/h1-2,6,8-10,13,15-16,24H,3-5,7,11-12,14,17-18,28H2,(H,33,34)/t24-/m0/s1 REKOGIWNXOWNQZ-DEOSSOPVSA-N 221768 US9314468, Table 7, Compound 55 C-X-C chemokine receptor type 4 864 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221768 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221768&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 59176628 335960701 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388238 NCCCCN(Cc1nccc2c3ccccc3n(CC(O)=O)c12)[C@H]1CCCc2cccnc12 InChI=1S/C27H31N5O2/c28-13-3-4-16-31(24-11-5-7-19-8-6-14-30-26(19)24)17-22-27-21(12-15-29-22)20-9-1-2-10-23(20)32(27)18-25(33)34/h1-2,6,8-10,12,14-15,24H,3-5,7,11,13,16-18,28H2,(H,33,34)/t24-/m0/s1 HXSKVZXRXQFNGG-DEOSSOPVSA-N 221769 US9314468, Table 7, Compound 56::US9314468, Table 9, Compound 2 C-X-C chemokine receptor type 4 22 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221769 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221769&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 59176365 335960702 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388239 CC(C)(C)OC(=O)Cn1c2ccccc2c2cc(CN(CCCCN)[C@H]3CCCc4cccnc34)ncc12 InChI=1S/C31H39N5O2/c1-31(2,3)38-29(37)21-36-26-13-5-4-12-24(26)25-18-23(34-19-28(25)36)20-35(17-7-6-15-32)27-14-8-10-22-11-9-16-33-30(22)27/h4-5,9,11-13,16,18-19,27H,6-8,10,14-15,17,20-21,32H2,1-3H3/t27-/m0/s1 AOOHTIPPARZMSX-MHZLTWQESA-N 221771 US9314468, Table 7, Compound 58 C-X-C chemokine receptor type 4 949 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221771 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221771&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 59176632 335960703 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388240 NC(=O)NCCCCN(Cc1nccc2c3ccccc3[nH]c12)[C@H]1CCCc2cccnc12 221773 US9314468, Table 7, Compound 60 C-X-C chemokine receptor type 4 6671 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221773 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221773&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 70924077 335960704 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388241 CCOC(=O)Cn1c2ccccc2c2ccnc(CN(CCCCN)[C@H]3CCCc4cccnc34)c12 InChI=1S/C29H35N5O2/c1-2-36-27(35)20-34-25-12-4-3-11-22(25)23-14-17-31-24(29(23)34)19-33(18-6-5-15-30)26-13-7-9-21-10-8-16-32-28(21)26/h3-4,8,10-12,14,16-17,26H,2,5-7,9,13,15,18-20,30H2,1H3/t26-/m0/s1 VFJCHGDYUBWKFI-SANMLTNESA-N 221775 US9314468, Table 7, Compound 62 C-X-C chemokine receptor type 4 15 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221775 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221775&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 59176542 335960705 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388242 NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)N3CCNCC3)c12)[C@H]1CCCc2cccnc12 InChI=1S/C31H39N7O/c32-13-3-4-18-37(28-11-5-7-23-8-6-14-35-30(23)28)21-26-31-25(12-15-34-26)24-9-1-2-10-27(24)38(31)22-29(39)36-19-16-33-17-20-36/h1-2,6,8-10,12,14-15,28,33H,3-5,7,11,13,16-22,32H2/t28-/m0/s1 NJQWIRGYRIYSTI-NDEPHWFRSA-N 221778 US9314468, Table 7, Compound 65 C-X-C chemokine receptor type 4 663 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221778 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221778&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 70924083 335960706 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388243 NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)NC3CCNCC3)c12)[C@H]1CCCc2cccnc12 InChI=1S/C32H41N7O/c33-15-3-4-20-38(29-11-5-7-23-8-6-16-36-31(23)29)21-27-32-26(14-19-35-27)25-9-1-2-10-28(25)39(32)22-30(40)37-24-12-17-34-18-13-24/h1-2,6,8-10,14,16,19,24,29,34H,3-5,7,11-13,15,17-18,20-22,33H2,(H,37,40)/t29-/m0/s1 OIRFPCPZHQDIOS-LJAQVGFWSA-N 221779 US9314468, Table 7, Compound 66 C-X-C chemokine receptor type 4 110 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221779 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221779&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 59176435 335960707 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388244 NC\C=C/CN(Cc1nccc2c3ccccc3[nH]c12)[C@H]1CCCc2cccnc12 221781 US9314468, Table 7, Compound 68 C-X-C chemokine receptor type 4 949 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221781 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221781&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 70924239 335960708 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388245 NC(=O)CCCN(Cc1nccc2c3ccccc3[nH]c12)[C@H]1CCCc2cccnc12 221782 US9314468, Table 7, Compound 69 C-X-C chemokine receptor type 4 1440 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221782 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221782&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 70924224 335960709 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388246 NCCCCN(Cc1nccc2c3ccccc3n(CCCN3CCNCC3)c12)[C@H]1CCCc2cccnc12 InChI=1S/C32H43N7/c33-14-3-4-20-38(30-12-5-8-25-9-6-15-36-31(25)30)24-28-32-27(13-16-35-28)26-10-1-2-11-29(26)39(32)21-7-19-37-22-17-34-18-23-37/h1-2,6,9-11,13,15-16,30,34H,3-5,7-8,12,14,17-24,33H2/t30-/m0/s1 KRDNCRHWZIFVKV-PMERELPUSA-N 221783 US9314468, Table 7, Compound 70::US9314468, Table 9, Compound 4 C-X-C chemokine receptor type 4 15 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221783 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221783&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 59176504 335960710 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388247 CN1CCN(CC1)C(=O)Cn1c2ccccc2c2ccnc(CN(CCCCN)[C@H]3CCCc4cccnc34)c12 InChI=1S/C32H41N7O/c1-36-18-20-37(21-19-36)30(40)23-39-28-11-3-2-10-25(28)26-13-16-34-27(32(26)39)22-38(17-5-4-14-33)29-12-6-8-24-9-7-15-35-31(24)29/h2-3,7,9-11,13,15-16,29H,4-6,8,12,14,17-23,33H2,1H3/t29-/m0/s1 JQTHZRINXVEAFM-LJAQVGFWSA-N 221785 US9314468, Table 7, Compound 72::US9314468, Table 9, Compound 5 C-X-C chemokine receptor type 4 30 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221785 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221785&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 59176465 335960711 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388248 CN(Cc1nccc2c3ccccc3n(CCCCN)c12)[C@H]1CCCc2cccnc12 InChI=1S/C26H31N5/c1-30(24-12-6-8-19-9-7-15-29-25(19)24)18-22-26-21(13-16-28-22)20-10-2-3-11-23(20)31(26)17-5-4-14-27/h2-3,7,9-11,13,15-16,24H,4-6,8,12,14,17-18,27H2,1H3/t24-/m0/s1 VBDFJRFDMOITRW-DEOSSOPVSA-N 221786 US9314468, Table 7, Compound 73 C-X-C chemokine receptor type 4 3370 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221786 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221786&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 59176496 335960712 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388249 CN(Cc1nccc2c3ccccc3n(CCCN3C(=O)c4ccccc4C3=O)c12)[C@H]1CCCc2cccnc12 InChI=1S/C33H31N5O2/c1-36(29-15-6-9-22-10-7-17-35-30(22)29)21-27-31-24(16-18-34-27)23-11-4-5-14-28(23)37(31)19-8-20-38-32(39)25-12-2-3-13-26(25)33(38)40/h2-5,7,10-14,16-18,29H,6,8-9,15,19-21H2,1H3/t29-/m0/s1 CVOFDCHMJDTJQF-LJAQVGFWSA-N 221787 US9314468, Table 7, Compound 74 C-X-C chemokine receptor type 4 217 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221787 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221787&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 59176576 335960713 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388250 O=C(Cn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)[C@H]3CCCc4cccnc34)c12)N1CCOCC1 InChI=1S/C34H43N7O2/c42-32(39-20-22-43-23-21-39)25-41-30-9-2-1-8-27(30)28-11-13-36-29(34(28)41)24-40(17-5-16-38-18-14-35-15-19-38)31-10-3-6-26-7-4-12-37-33(26)31/h1-2,4,7-9,11-13,31,35H,3,5-6,10,14-25H2/t31-/m0/s1 KHUKENRHVPYVIS-HKBQPEDESA-N 221788 US9314468, Table 7, Compound 75 C-X-C chemokine receptor type 4 44 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221788 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221788&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 59176424 335960714 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388251 NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)N3CCC(N)CC3)c12)[C@H]1CCCc2cccnc12 InChI=1S/C32H41N7O/c33-15-3-4-18-38(29-11-5-7-23-8-6-16-36-31(23)29)21-27-32-26(12-17-35-27)25-9-1-2-10-28(25)39(32)22-30(40)37-19-13-24(34)14-20-37/h1-2,6,8-10,12,16-17,24,29H,3-5,7,11,13-15,18-22,33-34H2/t29-/m0/s1 SWKZMADSDIUPGO-LJAQVGFWSA-N 221789 US9314468, Table 7, Compound 76 C-X-C chemokine receptor type 4 4390 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221789 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221789&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 59176519 335960715 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388252 CN(Cc1nccc2c3ccccc3n(CCN3C(=O)c4ccccc4C3=O)c12)[C@H]1CCCc2cccnc12 InChI=1S/C32H29N5O2/c1-35(28-14-6-8-21-9-7-16-34-29(21)28)20-26-30-23(15-17-33-26)22-10-4-5-13-27(22)36(30)18-19-37-31(38)24-11-2-3-12-25(24)32(37)39/h2-5,7,9-13,15-17,28H,6,8,14,18-20H2,1H3/t28-/m0/s1 GJIDOKDKTJPHIP-NDEPHWFRSA-N 221790 US9314468, Table 7, Compound 77 C-X-C chemokine receptor type 4 329 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221790 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221790&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 59176593 335960716 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388253 CN(Cc1nccc2c3ccccc3n(CCCN)c12)[C@H]1CCCc2cccnc12 InChI=1S/C25H29N5/c1-29(23-11-4-7-18-8-5-14-28-24(18)23)17-21-25-20(12-15-27-21)19-9-2-3-10-22(19)30(25)16-6-13-26/h2-3,5,8-10,12,14-15,23H,4,6-7,11,13,16-17,26H2,1H3/t23-/m0/s1 JHTFMCRYSBBHJA-QHCPKHFHSA-N 221791 US9314468, Table 7, Compound 78 C-X-C chemokine receptor type 4 1046 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221791 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221791&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 59176363 335960717 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388254 CN(Cc1nccc2c3ccccc3n(CCN)c12)[C@H]1CCCc2cccnc12 InChI=1S/C24H27N5/c1-28(22-10-4-6-17-7-5-13-27-23(17)22)16-20-24-19(11-14-26-20)18-8-2-3-9-21(18)29(24)15-12-25/h2-3,5,7-9,11,13-14,22H,4,6,10,12,15-16,25H2,1H3/t22-/m0/s1 YPIBGKBPCMCEEX-QFIPXVFZSA-N 221792 US9314468, Table 7, Compound 79 C-X-C chemokine receptor type 4 142 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221792 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221792&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 59176474 335960718 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388255 NCCCCN(Cc1nccc2c3ccccc3n(CC#C)c12)[C@H]1CCCc2cccnc12 InChI=1S/C28H31N5/c1-2-18-33-25-12-4-3-11-22(25)23-14-17-30-24(28(23)33)20-32(19-6-5-15-29)26-13-7-9-21-10-8-16-31-27(21)26/h1,3-4,8,10-12,14,16-17,26H,5-7,9,13,15,18-20,29H2/t26-/m0/s1 LWLCPNMLRWYQTO-SANMLTNESA-N 221793 US9314468, Table 7, Compound 80 C-X-C chemokine receptor type 4 9 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221793 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221793&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 59176556 335960719 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388256 O=C(CN(Cc1nccc2c3ccccc3[nH]c12)[C@H]1CCCc2cccnc12)N1CCNCC1 221794 US9314468, Table 7, Compound 81 C-X-C chemokine receptor type 4 1810 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221794 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221794&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 70924214 335960720 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388257 NCCCCN(Cc1nccc2c3ccccc3n(CCN3CCOCC3)c12)[C@H]1CCCc2cccnc12 InChI=1S/C31H40N6O/c32-13-3-4-16-36(29-11-5-7-24-8-6-14-34-30(24)29)23-27-31-26(12-15-33-27)25-9-1-2-10-28(25)37(31)18-17-35-19-21-38-22-20-35/h1-2,6,8-10,12,14-15,29H,3-5,7,11,13,16-23,32H2/t29-/m0/s1 CVDHYOXZYVHTOU-LJAQVGFWSA-N 221796 US9314468, Table 7, Compound 83 C-X-C chemokine receptor type 4 4 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221796 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221796&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 59176372 335960721 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388258 NCCCn1c2ccccc2c2ccnc(CN[C@H]3CCCc4cccnc34)c12 InChI=1S/C24H27N5/c25-12-5-15-29-22-10-2-1-8-18(22)19-11-14-26-21(24(19)29)16-28-20-9-3-6-17-7-4-13-27-23(17)20/h1-2,4,7-8,10-11,13-14,20,28H,3,5-6,9,12,15-16,25H2/t20-/m0/s1 ANEBBEKYLUMKMR-FQEVSTJZSA-N 221799 US9314468, Table 7, Compound 86 C-X-C chemokine receptor type 4 8890 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221799 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221799&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 59176531 335960722 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388259 NCCCCN(Cc1nccc2c3ccccc3n(CCO)c12)[C@H]1CCCc2cccnc12 InChI=1S/C27H33N5O/c28-13-3-4-16-31(25-11-5-7-20-8-6-14-30-26(20)25)19-23-27-22(12-15-29-23)21-9-1-2-10-24(21)32(27)17-18-33/h1-2,6,8-10,12,14-15,25,33H,3-5,7,11,13,16-19,28H2/t25-/m0/s1 YPUCQUYXFQEHNX-VWLOTQADSA-N 221800 US9314468, Table 7, Compound 87 C-X-C chemokine receptor type 4 11 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221800 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221800&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 59176432 335960723 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388260 NCCCCN(Cc1nccc2c3ccccc3n(Cc3ccccn3)c12)[C@H]1CCCc2cccnc12 InChI=1S/C31H34N6/c32-16-4-6-20-36(29-14-7-9-23-10-8-18-35-30(23)29)22-27-31-26(15-19-34-27)25-12-1-2-13-28(25)37(31)21-24-11-3-5-17-33-24/h1-3,5,8,10-13,15,17-19,29H,4,6-7,9,14,16,20-22,32H2/t29-/m0/s1 MSCRAFSZHJSLOE-LJAQVGFWSA-N 221801 US9314468, Table 7, Compound 88 C-X-C chemokine receptor type 4 31 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221801 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221801&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 59176389 335960724 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388261 CCN(Cc1nccc2c3ccccc3n(CCCN3C(=O)c4ccccc4C3=O)c12)[C@H]1CCCc2cccnc12 InChI=1S/C34H33N5O2/c1-2-37(30-16-7-10-23-11-8-18-36-31(23)30)22-28-32-25(17-19-35-28)24-12-5-6-15-29(24)38(32)20-9-21-39-33(40)26-13-3-4-14-27(26)34(39)41/h3-6,8,11-15,17-19,30H,2,7,9-10,16,20-22H2,1H3/t30-/m0/s1 KHGMLCBVTVUVMO-PMERELPUSA-N 221802 US9314468, Table 7, Compound 89 C-X-C chemokine receptor type 4 1640 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221802 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221802&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 59176526 335960725 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388262 CC(C)(C)OC(=O)Cn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)[C@H]3CCCc4cccnc34)c12 InChI=1S/C34H44N6O2/c1-34(2,3)42-31(41)24-40-29-12-5-4-11-26(29)27-14-16-36-28(33(27)40)23-39(20-8-19-38-21-17-35-18-22-38)30-13-6-9-25-10-7-15-37-32(25)30/h4-5,7,10-12,14-16,30,35H,6,8-9,13,17-24H2,1-3H3/t30-/m0/s1 AQKCUDVGYZOCIQ-PMERELPUSA-N 221803 US9314468, Table 7, Compound 90::US9314468, Table 9, Compound 7 C-X-C chemokine receptor type 4 59 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221803 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221803&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 59176557 335960726 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388263 C[C@H]1CN(C[C@@H](C)O1)C(=O)Cn1c2ccccc2c2ccnc(CN(CCCCN)[C@H]3CCCc4cccnc34)c12 InChI=1S/C33H42N6O2/c1-23-19-38(20-24(2)41-23)31(40)22-39-29-12-4-3-11-26(29)27-14-17-35-28(33(27)39)21-37(18-6-5-15-34)30-13-7-9-25-10-8-16-36-32(25)30/h3-4,8,10-12,14,16-17,23-24,30H,5-7,9,13,15,18-22,34H2,1-2H3/t23-,24+,30-/m0/s1 FWHNJLUNLZEIMP-BBANNHEPSA-N 221804 US9314468, Table 7, Compound 91::US9314468, Table 9, Compound 8 C-X-C chemokine receptor type 4 123 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221804 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221804&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 59176500 335960727 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388264 C(N(Cc1nccc2c3ccccc3[nH]c12)[C@H]1CCCc2cccnc12)c1ccccc1N1CCNCC1 221807 US9314468, Table 7, Compound 94 C-X-C chemokine receptor type 4 3730 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221807 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221807&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 70924238 335960728 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388265 NCCCCN(Cc1nccc2c3ccccc3n(CCCN)c12)[C@H]1CCCc2cccnc12 InChI=1S/C28H36N6/c29-14-3-4-18-33(26-12-5-8-21-9-6-16-32-27(21)26)20-24-28-23(13-17-31-24)22-10-1-2-11-25(22)34(28)19-7-15-30/h1-2,6,9-11,13,16-17,26H,3-5,7-8,12,14-15,18-20,29-30H2/t26-/m0/s1 ANWJCECNNDZVCW-SANMLTNESA-N 221808 US9314468, Table 7, Compound 95::US9314468, Table 9, Compound 9 C-X-C chemokine receptor type 4 21 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221808 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221808&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 59176357 335960729 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388266 NCCCCN(Cc1nccc2c3ccccc3n(Cc3ccncc3)c12)[C@H]1CCCc2cccnc12 InChI=1S/C31H34N6/c32-15-3-4-20-36(29-11-5-7-24-8-6-16-35-30(24)29)22-27-31-26(14-19-34-27)25-9-1-2-10-28(25)37(31)21-23-12-17-33-18-13-23/h1-2,6,8-10,12-14,16-19,29H,3-5,7,11,15,20-22,32H2/t29-/m0/s1 MWFBWKCYDSLOFC-LJAQVGFWSA-N 221809 US9314468, Table 7, Compound 96 C-X-C chemokine receptor type 4 120 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221809 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221809&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 59176391 335960730 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388267 CC(C)CN(Cc1nccc2c3ccccc3n(CCCN3C(=O)c4ccccc4C3=O)c12)[C@H]1CCCc2cccnc12 InChI=1S/C36H37N5O2/c1-24(2)22-39(32-16-7-10-25-11-8-18-38-33(25)32)23-30-34-27(17-19-37-30)26-12-5-6-15-31(26)40(34)20-9-21-41-35(42)28-13-3-4-14-29(28)36(41)43/h3-6,8,11-15,17-19,24,32H,7,9-10,16,20-23H2,1-2H3/t32-/m0/s1 BPGUKRWORCWNBI-YTTGMZPUSA-N 221810 US9314468, Table 7, Compound 97 C-X-C chemokine receptor type 4 6650 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221810 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221810&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 59176368 335960731 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388268 CCN(Cc1nccc2c3ccccc3n(CCCN)c12)[C@H]1CCCc2cccnc12 InChI=1S/C26H31N5/c1-2-30(24-12-5-8-19-9-6-15-29-25(19)24)18-22-26-21(13-16-28-22)20-10-3-4-11-23(20)31(26)17-7-14-27/h3-4,6,9-11,13,15-16,24H,2,5,7-8,12,14,17-18,27H2,1H3/t24-/m0/s1 NOTNDRDNSOJNKN-DEOSSOPVSA-N 221811 US9314468, Table 7, Compound 98 C-X-C chemokine receptor type 4 997 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221811 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221811&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 59176463 335960732 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388269 OC(=O)Cn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)[C@H]3CCCc4cccnc34)c12 InChI=1S/C30H36N6O2/c37-28(38)21-36-26-9-2-1-8-23(26)24-11-13-32-25(30(24)36)20-35(17-5-16-34-18-14-31-15-19-34)27-10-3-6-22-7-4-12-33-29(22)27/h1-2,4,7-9,11-13,27,31H,3,5-6,10,14-21H2,(H,37,38)/t27-/m0/s1 DQIXSGCNKIWJOJ-MHZLTWQESA-N 221813 US9314468, Table 7, Compound 100::US9314468, Table 9, Compound 10 C-X-C chemokine receptor type 4 135 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221813 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221813&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 59176375 335960733 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388270 NCCCCN(Cc1nccc2c3ccccc3n(CCN3CCNCC3)c12)[C@H]1CCCc2cccnc12 InChI=1S/C31H41N7/c32-13-3-4-18-37(29-11-5-7-24-8-6-14-35-30(24)29)23-27-31-26(12-15-34-27)25-9-1-2-10-28(25)38(31)22-21-36-19-16-33-17-20-36/h1-2,6,8-10,12,14-15,29,33H,3-5,7,11,13,16-23,32H2/t29-/m0/s1 UVLUSKOWWGCJCZ-LJAQVGFWSA-N 221814 US9314468, Table 7, Compound 101::US9314468, Table 9, Compound 11 C-X-C chemokine receptor type 4 63 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221814 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221814&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 70924198 335960734 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388271 NCCCCN(Cc1nccc2c3ccccc3n(Cc3cccnc3)c12)[C@H]1CCCc2cccnc12 InChI=1S/C31H34N6/c32-15-3-4-19-36(29-13-5-9-24-10-7-17-35-30(24)29)22-27-31-26(14-18-34-27)25-11-1-2-12-28(25)37(31)21-23-8-6-16-33-20-23/h1-2,6-8,10-12,14,16-18,20,29H,3-5,9,13,15,19,21-22,32H2/t29-/m0/s1 XGPPOCYPIPWAOC-LJAQVGFWSA-N 221815 US9314468, Table 7, Compound 102 C-X-C chemokine receptor type 4 481 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221815 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221815&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 59176397 335960735 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388272 NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)N3CCC(O)CC3)c12)[C@H]1CCCc2cccnc12 InChI=1S/C32H40N6O2/c33-15-3-4-18-37(29-11-5-7-23-8-6-16-35-31(23)29)21-27-32-26(12-17-34-27)25-9-1-2-10-28(25)38(32)22-30(40)36-19-13-24(39)14-20-36/h1-2,6,8-10,12,16-17,24,29,39H,3-5,7,11,13-15,18-22,33H2/t29-/m0/s1 QRHNEAJSJWCSFE-LJAQVGFWSA-N 221816 US9314468, Table 7, Compound 103 C-X-C chemokine receptor type 4 212 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221816 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221816&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 59176517 335960736 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388273 CC(C)(C)OC(=O)[C@@H](N)CCCN(Cc1nccc2c3ccccc3[nH]c12)[C@H]1CCCc2cccnc12 221817 US9314468, Table 7, Compound 104 C-X-C chemokine receptor type 4 9585 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221817 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221817&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 70924094 335960737 C03317 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388274 CN1CCN(CCCN(Cc2nccc3c4ccccc4[nH]c23)[C@H]2CCCc3cccnc23)CC1 221818 US9314468, Table 7, Compound 105 C-X-C chemokine receptor type 4 206 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221818 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221818&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 70924240 335960738 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388275 C(CN(Cc1nccc2c3ccccc3n(CCN3CCOCC3)c12)[C@H]1CCCc2cccnc12)CN1CCNCC1 InChI=1S/C34H45N7O/c1-2-9-31-28(8-1)29-11-13-36-30(34(29)41(31)21-20-39-22-24-42-25-23-39)26-40(17-5-16-38-18-14-35-15-19-38)32-10-3-6-27-7-4-12-37-33(27)32/h1-2,4,7-9,11-13,32,35H,3,5-6,10,14-26H2/t32-/m0/s1 GXPPYEGXOSWLLT-YTTGMZPUSA-N 221819 US9314468, Table 7, Compound 106 C-X-C chemokine receptor type 4 24 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221819 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221819&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 59176516 335960739 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388276 OCCn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)[C@H]3CCCc4cccnc34)c12 InChI=1S/C30H38N6O/c37-21-20-36-27-9-2-1-8-24(27)25-11-13-32-26(30(25)36)22-35(17-5-16-34-18-14-31-15-19-34)28-10-3-6-23-7-4-12-33-29(23)28/h1-2,4,7-9,11-13,28,31,37H,3,5-6,10,14-22H2/t28-/m0/s1 PLCLLBVMKOLHCX-NDEPHWFRSA-N 221820 US9314468, Table 7, Compound 107 C-X-C chemokine receptor type 4 56 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221820 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221820&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 59176449 335960740 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388277 C(N[C@H]1CCCc2cccnc12)c1nccc2c3ccccc3n(Cc3ccccn3)c12 InChI=1S/C27H25N5/c1-2-12-25-21(10-1)22-13-16-29-24(27(22)32(25)18-20-9-3-4-14-28-20)17-31-23-11-5-7-19-8-6-15-30-26(19)23/h1-4,6,8-10,12-16,23,31H,5,7,11,17-18H2/t23-/m0/s1 XVSUSWCJFNERBN-QHCPKHFHSA-N 221821 US9314468, Table 7, Compound 108 C-X-C chemokine receptor type 4 8393 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221821 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221821&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 59176609 335960741 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388278 NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)N3CCS(=O)CC3)c12)[C@H]1CCCc2cccnc12 InChI=1S/C31H38N6O2S/c32-13-3-4-16-36(28-11-5-7-23-8-6-14-34-30(23)28)21-26-31-25(12-15-33-26)24-9-1-2-10-27(24)37(31)22-29(38)35-17-19-40(39)20-18-35/h1-2,6,8-10,12,14-15,28H,3-5,7,11,13,16-22,32H2/t28-/m0/s1 BOAIQEIFVSEBKI-NDEPHWFRSA-N 221822 US9314468, Table 7, Compound 109 C-X-C chemokine receptor type 4 61 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221822 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221822&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 59176434 335960742 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388279 C(C1CCCNC1)N(Cc1nccc2c1[nH]c1ccccc21)[C@H]1CCCc2cccnc12 221824 US9314468, Table 7, Compound 111 C-X-C chemokine receptor type 4 3597 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221824 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221824&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 70924216 335960743 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388280 NCCCCN(Cc1nccc2c3ccccc3n(CC(N)=O)c12)[C@H]1CCCc2cccnc12 InChI=1S/C27H32N6O/c28-13-3-4-16-32(24-11-5-7-19-8-6-14-31-26(19)24)17-22-27-21(12-15-30-22)20-9-1-2-10-23(20)33(27)18-25(29)34/h1-2,6,8-10,12,14-15,24H,3-5,7,11,13,16-18,28H2,(H2,29,34)/t24-/m0/s1 ABDLOXDCMBBRCJ-DEOSSOPVSA-N 221825 US9314468, Table 7, Compound 112::US9314468, Table 9, Compound 14 C-X-C chemokine receptor type 4 17 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221825 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221825&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 59176416 335960744 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388281 C(CN(Cc1nccc2c3ccccc3n(Cc3ccccn3)c12)[C@H]1CCCc2cccnc12)CN1CCNCC1 InChI=1S/C34H39N7/c1-2-12-31-28(11-1)29-14-17-37-30(34(29)41(31)24-27-10-3-4-15-36-27)25-40(21-7-20-39-22-18-35-19-23-39)32-13-5-8-26-9-6-16-38-33(26)32/h1-4,6,9-12,14-17,32,35H,5,7-8,13,18-25H2/t32-/m0/s1 ZNWWVFUMACKVMN-YTTGMZPUSA-N 221826 US9314468, Table 7, Compound 113 C-X-C chemokine receptor type 4 176 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221826 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221826&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 59176597 335960745 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388282 NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)NC3CCOCC3)c12)[C@H]1CCCc2cccnc12 InChI=1S/C32H40N6O2/c33-15-3-4-18-37(29-11-5-7-23-8-6-16-35-31(23)29)21-27-32-26(12-17-34-27)25-9-1-2-10-28(25)38(32)22-30(39)36-24-13-19-40-20-14-24/h1-2,6,8-10,12,16-17,24,29H,3-5,7,11,13-15,18-22,33H2,(H,36,39)/t29-/m0/s1 QQAXZKBDEDJOOC-LJAQVGFWSA-N 221827 US9314468, Table 7, Compound 114 C-X-C chemokine receptor type 4 21 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221827 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221827&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 59176456 335960746 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388283 O=C(Cn1c2ccccc2c2ccnc(CN(CCCCNCc3ccccn3)[C@H]3CCCc4cccnc34)c12)N1CCOCC1 InChI=1S/C37H43N7O2/c45-35(42-21-23-46-24-22-42)27-44-33-13-2-1-12-30(33)31-15-19-40-32(37(31)44)26-43(34-14-7-9-28-10-8-18-41-36(28)34)20-6-5-16-38-25-29-11-3-4-17-39-29/h1-4,8,10-13,15,17-19,34,38H,5-7,9,14,16,20-27H2/t34-/m0/s1 PNFIKARXLYHDLX-UMSFTDKQSA-N 221828 US9314468, Table 7, Compound 115 C-X-C chemokine receptor type 4 8650 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221828 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221828&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 59176528 335960747 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388284 CN1CCN(CCCN(Cc2nccc3c4ccccc4n(CC(=O)N4CCOCC4)c23)[C@H]2CCCc3cccnc23)CC1 InChI=1S/C35H45N7O2/c1-38-17-19-39(20-18-38)15-6-16-41(32-11-4-7-27-8-5-13-37-34(27)32)25-30-35-29(12-14-36-30)28-9-2-3-10-31(28)42(35)26-33(43)40-21-23-44-24-22-40/h2-3,5,8-10,12-14,32H,4,6-7,11,15-26H2,1H3/t32-/m0/s1 RKEAONCKABKXHL-YTTGMZPUSA-N 221829 US9314468, Table 7, Compound 116 C-X-C chemokine receptor type 4 628 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221829 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221829&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 59176438 335960748 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388285 O=C(Cn1c2ccccc2c2ccnc(CN(CCCCNCc3cccnc3)[C@H]3CCCc4cccnc34)c12)N1CCOCC1 InChI=1S/C37H43N7O2/c45-35(42-20-22-46-23-21-42)27-44-33-12-2-1-11-30(33)31-14-18-40-32(37(31)44)26-43(34-13-5-9-29-10-7-17-41-36(29)34)19-4-3-15-38-24-28-8-6-16-39-25-28/h1-2,6-8,10-12,14,16-18,25,34,38H,3-5,9,13,15,19-24,26-27H2/t34-/m0/s1 NCTQNPPLSKQNIC-UMSFTDKQSA-N 221830 US9314468, Table 7, Compound 117 C-X-C chemokine receptor type 4 1398 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221830 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221830&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 59176417 335960749 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388286 O=C(Cn1c2ccccc2c2ccnc(CN(CCCCNCc3ccncc3)[C@H]3CCCc4cccnc34)c12)N1CCOCC1 InChI=1S/C37H43N7O2/c45-35(42-21-23-46-24-22-42)27-44-33-10-2-1-9-30(33)31-14-19-40-32(37(31)44)26-43(34-11-5-7-29-8-6-16-41-36(29)34)20-4-3-15-39-25-28-12-17-38-18-13-28/h1-2,6,8-10,12-14,16-19,34,39H,3-5,7,11,15,20-27H2/t34-/m0/s1 IFFWGUXVELEIQG-UMSFTDKQSA-N 221831 US9314468, Table 7, Compound 118 C-X-C chemokine receptor type 4 2830 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221831 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221831&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 59176610 335960750 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388287 NCCCCN(Cc1nccc2c3ccccc3n(CCC3CCOCC3)c12)[C@H]1CCCc2cccnc12 InChI=1S/C32H41N5O/c33-16-3-4-19-36(30-11-5-7-25-8-6-17-35-31(25)30)23-28-32-27(12-18-34-28)26-9-1-2-10-29(26)37(32)20-13-24-14-21-38-22-15-24/h1-2,6,8-10,12,17-18,24,30H,3-5,7,11,13-16,19-23,33H2/t30-/m0/s1 LZTDOUVCVHNFEM-PMERELPUSA-N 221832 US9314468, Table 7, Compound 119 C-X-C chemokine receptor type 4 13 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221832 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221832&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 44242668 335960751 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388288 NCCCCN(Cc1nccc2c3ccccc3n(CCCN3CCNC(=O)C3)c12)[C@H]1CCCc2cccnc12 InChI=1S/C32H41N7O/c33-14-3-4-19-38(29-12-5-8-24-9-6-15-36-31(24)29)22-27-32-26(13-16-34-27)25-10-1-2-11-28(25)39(32)20-7-18-37-21-17-35-30(40)23-37/h1-2,6,9-11,13,15-16,29H,3-5,7-8,12,14,17-23,33H2,(H,35,40)/t29-/m0/s1 MBHUJRZOYOOKOG-LJAQVGFWSA-N 221834 US9314468, Table 7, Compound 121 C-X-C chemokine receptor type 4 4 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221834 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221834&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 59176550 335960752 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388289 NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)N3CCSCC3)c12)[C@H]1CCCc2cccnc12 InChI=1S/C31H38N6OS/c32-13-3-4-16-36(28-11-5-7-23-8-6-14-34-30(23)28)21-26-31-25(12-15-33-26)24-9-1-2-10-27(24)37(31)22-29(38)35-17-19-39-20-18-35/h1-2,6,8-10,12,14-15,28H,3-5,7,11,13,16-22,32H2/t28-/m0/s1 DDCLYEJMNJXGRV-NDEPHWFRSA-N 221835 US9314468, Table 7, Compound 122 C-X-C chemokine receptor type 4 78 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221835 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221835&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 59176602 335960753 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388290 NCCCCN(Cc1nccc2c3ccccc3n(Cc3ccccc3)c12)[C@H]1CCCc2cccnc12 InChI=1S/C32H35N5/c33-18-6-7-21-36(30-16-8-12-25-13-9-19-35-31(25)30)23-28-32-27(17-20-34-28)26-14-4-5-15-29(26)37(32)22-24-10-2-1-3-11-24/h1-5,9-11,13-15,17,19-20,30H,6-8,12,16,18,21-23,33H2/t30-/m0/s1 WEMCGFDUPVQCAC-PMERELPUSA-N 221836 US9314468, Table 7, Compound 123 C-X-C chemokine receptor type 4 47 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221836 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221836&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 59176428 335960754 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388291 O=C(Cn1c2ccccc2c2ccnc(CN(CCCN3CCNC(=O)C3)[C@H]3CCCc4cccnc34)c12)N1CCOCC1 InChI=1S/C34H41N7O3/c42-31-23-38(17-14-36-31)15-5-16-40(30-10-3-6-25-7-4-12-37-33(25)30)22-28-34-27(11-13-35-28)26-8-1-2-9-29(26)41(34)24-32(43)39-18-20-44-21-19-39/h1-2,4,7-9,11-13,30H,3,5-6,10,14-24H2,(H,36,42)/t30-/m0/s1 JKOGSJOPSZXTMP-PMERELPUSA-N 221839 US9314468, Table 7, Compound 126 C-X-C chemokine receptor type 4 8720 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221839 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221839&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 59176445 335960755 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388292 O=C(Cn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)[C@H]3CCCc4cccnc34)c12)NC1CCOCC1 InChI=1S/C35H45N7O2/c43-33(39-27-12-22-44-23-13-27)25-42-31-9-2-1-8-28(31)29-11-15-37-30(35(29)42)24-41(19-5-18-40-20-16-36-17-21-40)32-10-3-6-26-7-4-14-38-34(26)32/h1-2,4,7-9,11,14-15,27,32,36H,3,5-6,10,12-13,16-25H2,(H,39,43)/t32-/m0/s1 SXOHHHOAPGKUHV-YTTGMZPUSA-N 221840 US9314468, Table 7, Compound 127 C-X-C chemokine receptor type 4 26 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221840 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221840&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 59176485 335960756 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388293 NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)N3CCCCC3)c12)[C@H]1CCCc2cccnc12 InChI=1S/C32H40N6O/c33-16-4-7-21-37(29-14-8-10-24-11-9-17-35-31(24)29)22-27-32-26(15-18-34-27)25-12-2-3-13-28(25)38(32)23-30(39)36-19-5-1-6-20-36/h2-3,9,11-13,15,17-18,29H,1,4-8,10,14,16,19-23,33H2/t29-/m0/s1 QXQQHODCDQBEDT-LJAQVGFWSA-N 221841 US9314468, Table 7, Compound 128 C-X-C chemokine receptor type 4 270 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221841 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221841&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 59176475 335960757 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388294 O=C(Cn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)[C@H]3CCCc4cccnc34)c12)N1CCCCC1 InChI=1S/C35H45N7O/c43-33(40-20-4-1-5-21-40)26-42-31-12-3-2-11-28(31)29-14-16-37-30(35(29)42)25-41(22-8-19-39-23-17-36-18-24-39)32-13-6-9-27-10-7-15-38-34(27)32/h2-3,7,10-12,14-16,32,36H,1,4-6,8-9,13,17-26H2/t32-/m0/s1 HZQYUEGYDCWPKC-YTTGMZPUSA-N 221842 US9314468, Table 7, Compound 129 C-X-C chemokine receptor type 4 405 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221842 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221842&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 59176611 335960758 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388295 C(CN(Cc1nccc2c3ccccc3n(Cc3ccccc3)c12)[C@H]1CCCc2cccnc12)CN1CCNCC1 InChI=1S/C35H40N6/c1-2-9-27(10-3-1)25-41-32-14-5-4-13-29(32)30-16-18-37-31(35(30)41)26-40(22-8-21-39-23-19-36-20-24-39)33-15-6-11-28-12-7-17-38-34(28)33/h1-5,7,9-10,12-14,16-18,33,36H,6,8,11,15,19-26H2/t33-/m0/s1 FISURVXVMMHVJY-XIFFEERXSA-N 221843 US9314468, Table 7, Compound 130 C-X-C chemokine receptor type 4 152 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221843 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221843&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 59176639 335960759 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388296 O=C1N(CCCn2c3ccccc3c3ccnc(CN(CCCN4CCNC(=O)C4)[C@H]4CCCc5cccnc45)c23)C(=O)c2ccccc12 InChI=1S/C39H41N7O3/c47-35-26-43(24-19-41-35)20-7-21-44(34-15-5-9-27-10-6-17-42-36(27)34)25-32-37-29(16-18-40-32)28-11-3-4-14-33(28)45(37)22-8-23-46-38(48)30-12-1-2-13-31(30)39(46)49/h1-4,6,10-14,16-18,34H,5,7-9,15,19-26H2,(H,41,47)/t34-/m0/s1 QJJNRDIHTMEJQU-UMSFTDKQSA-N 221844 US9314468, Table 7, Compound 131 C-X-C chemokine receptor type 4 138 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221844 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221844&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 59176448 335960760 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388297 O=C(Cn1c2ccccc2c2ccnc(CN(CCCC3CCNCC3)[C@H]3CCCc4cccnc34)c12)N1CCOCC1 InChI=1S/C35H44N6O2/c42-33(39-20-22-43-23-21-39)25-41-31-10-2-1-9-28(31)29-14-18-37-30(35(29)41)24-40(19-5-6-26-12-16-36-17-13-26)32-11-3-7-27-8-4-15-38-34(27)32/h1-2,4,8-10,14-15,18,26,32,36H,3,5-7,11-13,16-17,19-25H2/t32-/m0/s1 DTWYHOJPBDJGOX-YTTGMZPUSA-N 221845 US9314468, Table 7, Compound 132 C-X-C chemokine receptor type 4 124 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221845 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221845&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 59176411 335960761 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388298 Cc1cccnc1CN(CCCCN)Cc1nccc2c3ccccc3n(CC(=O)N3CCOCC3)c12 InChI=1S/C29H36N6O2/c1-22-7-6-12-31-25(22)19-33(14-5-4-11-30)20-26-29-24(10-13-32-26)23-8-2-3-9-27(23)35(29)21-28(36)34-15-17-37-18-16-34/h2-3,6-10,12-13H,4-5,11,14-21,30H2,1H3 TXTDPPRSFZXQSH-UHFFFAOYSA-N 221846 US9314468, Table 7, Compound 133 C-X-C chemokine receptor type 4 583 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221846 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221846&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 59176494 335960762 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388299 O=C1N(CCCn2c3ccccc3c3ccnc(CN(CCCN4CCNCC4)[C@H]4CCCc5cccnc45)c23)C(=O)c2ccccc12 InChI=1S/C39H43N7O2/c47-38-31-12-1-2-13-32(31)39(48)46(38)24-8-23-45-34-14-4-3-11-29(34)30-16-18-41-33(37(30)45)27-44(22-7-21-43-25-19-40-20-26-43)35-15-5-9-28-10-6-17-42-36(28)35/h1-4,6,10-14,16-18,35,40H,5,7-9,15,19-27H2/t35-/m0/s1 KZNPSFOFSKDWBF-DHUJRADRSA-N 221847 US9314468, Table 7, Compound 134 C-X-C chemokine receptor type 4 44 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221847 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221847&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 59176455 335960763 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388300 NCCCn1c2ccccc2c2ccnc(CN(CCCN3CCNC(=O)C3)[C@H]3CCCc4cccnc34)c12 InChI=1S/C31H39N7O/c32-13-5-19-38-27-10-2-1-9-24(27)25-12-15-33-26(31(25)38)21-37(18-6-17-36-20-16-34-29(39)22-36)28-11-3-7-23-8-4-14-35-30(23)28/h1-2,4,8-10,12,14-15,28H,3,5-7,11,13,16-22,32H2,(H,34,39)/t28-/m0/s1 MBBNVMFTQPOESS-NDEPHWFRSA-N 221848 US9314468, Table 7, Compound 135 C-X-C chemokine receptor type 4 30 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221848 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221848&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 59176413 335960764 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388301 N[C@H]1CC[C@H](CN(Cc2nccc3c4ccccc4n(CC(=O)N4CCOCC4)c23)[C@H]2CCCc3cccnc23)CC1 InChI=1S/C34H42N6O2/c35-26-12-10-24(11-13-26)21-39(31-9-3-5-25-6-4-15-37-33(25)31)22-29-34-28(14-16-36-29)27-7-1-2-8-30(27)40(34)23-32(41)38-17-19-42-20-18-38/h1-2,4,6-8,14-16,24,26,31H,3,5,9-13,17-23,35H2/t24-,26-,31-/m0/s1 YFGRYLFTDBFCPF-NLVXVLGSSA-N 221849 US9314468, Table 7, Compound 136 C-X-C chemokine receptor type 4 2150 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221849 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221849&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 59176401 335960765 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388302 N[C@H]1CC[C@@H](CN(Cc2nccc3c4ccccc4n(CC(=O)N4CCOCC4)c23)[C@H]2CCCc3cccnc23)CC1 InChI=1S/C34H42N6O2/c35-26-12-10-24(11-13-26)21-39(31-9-3-5-25-6-4-15-37-33(25)31)22-29-34-28(14-16-36-29)27-7-1-2-8-30(27)40(34)23-32(41)38-17-19-42-20-18-38/h1-2,4,6-8,14-16,24,26,31H,3,5,9-13,17-23,35H2/t24-,26+,31-/m0/s1 YFGRYLFTDBFCPF-DHUXRJIASA-N 221850 US9314468, Table 7, Compound 137 C-X-C chemokine receptor type 4 1260 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221850 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221850&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 59176401 335960766 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388303 NCCCCN(Cc1nccc2c3ccccc3n(CCCN3CCNCC3=O)c12)[C@H]1CCCc2cccnc12 InChI=1S/C32H41N7O/c33-14-3-4-18-38(29-12-5-8-24-9-6-15-36-31(24)29)23-27-32-26(13-16-35-27)25-10-1-2-11-28(25)39(32)20-7-19-37-21-17-34-22-30(37)40/h1-2,6,9-11,13,15-16,29,34H,3-5,7-8,12,14,17-23,33H2/t29-/m0/s1 RENOYQQZOIIFJP-LJAQVGFWSA-N 221851 US9314468, Table 7, Compound 138 C-X-C chemokine receptor type 4 20 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221851 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221851&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 59176436 335960767 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388304 O=C1CNCCN1CCCn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)[C@H]3CCCc4cccnc34)c12 InChI=1S/C35H46N8O/c44-33-25-37-17-24-41(33)19-6-21-43-31-10-2-1-9-28(31)29-12-14-38-30(35(29)43)26-42(20-5-18-40-22-15-36-16-23-40)32-11-3-7-27-8-4-13-39-34(27)32/h1-2,4,8-10,12-14,32,36-37H,3,5-7,11,15-26H2/t32-/m0/s1 DSSMQNFSKOOFIX-YTTGMZPUSA-N 221852 US9314468, Table 7, Compound 139 C-X-C chemokine receptor type 4 44 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221852 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221852&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 59176442 335960768 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388305 NC(=O)Cn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)[C@H]3CCCc4cccnc34)c12 InChI=1S/C30H37N7O/c31-28(38)21-37-26-9-2-1-8-23(26)24-11-13-33-25(30(24)37)20-36(17-5-16-35-18-14-32-15-19-35)27-10-3-6-22-7-4-12-34-29(22)27/h1-2,4,7-9,11-13,27,32H,3,5-6,10,14-21H2,(H2,31,38)/t27-/m0/s1 KSQLGAFWFIKFHD-MHZLTWQESA-N 221853 US9314468, Table 7, Compound 140 C-X-C chemokine receptor type 4 9 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221853 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221853&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 59176472 335960769 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388306 NCCCn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)[C@H]3CCCc4cccnc34)c12 InChI=1S/C31H41N7/c32-13-5-20-38-28-10-2-1-9-25(28)26-12-15-34-27(31(26)38)23-37(19-6-18-36-21-16-33-17-22-36)29-11-3-7-24-8-4-14-35-30(24)29/h1-2,4,8-10,12,14-15,29,33H,3,5-7,11,13,16-23,32H2/t29-/m0/s1 NHAJVACWMBMLAO-LJAQVGFWSA-N 221854 US9314468, Table 7, Compound 141 C-X-C chemokine receptor type 4 5 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221854 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221854&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 59176450 335960770 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388307 COCCn1c2ccccc2c2ccnc(CN(CCCCN)[C@H]3CCCc4cccnc34)c12 InChI=1S/C28H35N5O/c1-34-19-18-33-25-11-3-2-10-22(25)23-13-16-30-24(28(23)33)20-32(17-5-4-14-29)26-12-6-8-21-9-7-15-31-27(21)26/h2-3,7,9-11,13,15-16,26H,4-6,8,12,14,17-20,29H2,1H3/t26-/m0/s1 WUOCTJUKAZEITD-SANMLTNESA-N 221856 US9314468, Table 7, Compound 143 C-X-C chemokine receptor type 4 20 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221856 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221856&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 59176569 335960771 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388308 NCCCCN(Cc1nccc2c3ccccc3n(CC3CC3)c12)[C@H]1CCCc2cccnc12 InChI=1S/C29H35N5/c30-15-3-4-18-33(27-11-5-7-22-8-6-16-32-28(22)27)20-25-29-24(14-17-31-25)23-9-1-2-10-26(23)34(29)19-21-12-13-21/h1-2,6,8-10,14,16-17,21,27H,3-5,7,11-13,15,18-20,30H2/t27-/m0/s1 JWEASISYMFSBIV-MHZLTWQESA-N 221857 US9314468, Table 7, Compound 144 C-X-C chemokine receptor type 4 4 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221857 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221857&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 59176621 335960772 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388309 C(CN(Cc1nccc2c3ccccc3n(CC3CC3)c12)[C@H]1CCCc2cccnc12)CN1CCNCC1 InChI=1S/C32H40N6/c1-2-9-29-26(8-1)27-13-15-34-28(32(27)38(29)22-24-11-12-24)23-37(19-5-18-36-20-16-33-17-21-36)30-10-3-6-25-7-4-14-35-31(25)30/h1-2,4,7-9,13-15,24,30,33H,3,5-6,10-12,16-23H2/t30-/m0/s1 QPNBBISYSKBKRT-PMERELPUSA-N 221858 US9314468, Table 7, Compound 145 C-X-C chemokine receptor type 4 14 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221858 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221858&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 59176387 335960773 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388310 COCCn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)[C@H]3CCCc4cccnc34)c12 InChI=1S/C31H40N6O/c1-38-22-21-37-28-10-3-2-9-25(28)26-12-14-33-27(31(26)37)23-36(18-6-17-35-19-15-32-16-20-35)29-11-4-7-24-8-5-13-34-30(24)29/h2-3,5,8-10,12-14,29,32H,4,6-7,11,15-23H2,1H3/t29-/m0/s1 HBVFWULQULOZOQ-LJAQVGFWSA-N 221859 US9314468, Table 7, Compound 146 C-X-C chemokine receptor type 4 49 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221859 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221859&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 59176467 335960774 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388311 C(CN(Cc1nccc2c3ccccc3n(CCC3CCOCC3)c12)[C@H]1CCCc2cccnc12)CN1CCNCC1 InChI=1S/C35H46N6O/c1-2-9-32-29(8-1)30-11-16-37-31(35(30)41(32)21-12-27-13-24-42-25-14-27)26-40(20-5-19-39-22-17-36-18-23-39)33-10-3-6-28-7-4-15-38-34(28)33/h1-2,4,7-9,11,15-16,27,33,36H,3,5-6,10,12-14,17-26H2/t33-/m0/s1 IBIHADAFGHQXNB-XIFFEERXSA-N 221860 US9314468, Table 7, Compound 147 C-X-C chemokine receptor type 4 1 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221860 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221860&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 59176553 335960775 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388312 CC(N(CCCCN)Cc1nccc2c3ccccc3n(CC(=O)N3CCOCC3)c12)c1ccccn1 InChI=1S/C29H36N6O2/c1-22(25-9-4-6-13-31-25)34(15-7-5-12-30)20-26-29-24(11-14-32-26)23-8-2-3-10-27(23)35(29)21-28(36)33-16-18-37-19-17-33/h2-4,6,8-11,13-14,22H,5,7,12,15-21,30H2,1H3 GIFQJTINYJNXAQ-UHFFFAOYSA-N 221862 US9314468, Table 7, Compound 149 C-X-C chemokine receptor type 4 423 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221862 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221862&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 59176414 335960776 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388313 NCCCCN(Cc1nccc2c3ccccc3n(CCN3CCNCC3)c12)C1CCCc2cccnc12 InChI=1S/C31H41N7/c32-13-3-4-18-37(29-11-5-7-24-8-6-14-35-30(24)29)23-27-31-26(12-15-34-27)25-9-1-2-10-28(25)38(31)22-21-36-19-16-33-17-20-36/h1-2,6,8-10,12,14-15,29,33H,3-5,7,11,13,16-23,32H2 UVLUSKOWWGCJCZ-UHFFFAOYSA-N 221863 US9314468, Table 8, Compound 1 C-X-C chemokine receptor type 4 5.7 US Patent 10.7270/Q2DF6Q2P aid1802564 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221863 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221863&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 77955572 335960777 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388314 NCCCCN(Cc1nccc2c3ccccc3n(CC#C)c12)C1CCCc2cccnc12 InChI=1S/C28H31N5/c1-2-18-33-25-12-4-3-11-22(25)23-14-17-30-24(28(23)33)20-32(19-6-5-15-29)26-13-7-9-21-10-8-16-31-27(21)26/h1,3-4,8,10-12,14,16-17,26H,5-7,9,13,15,18-20,29H2 LWLCPNMLRWYQTO-UHFFFAOYSA-N 221864 US9314468, Table 8, Compound 2 C-X-C chemokine receptor type 4 5.5 US Patent 10.7270/Q2DF6Q2P aid1802564 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221864 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221864&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 72535523 335960778 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388315 NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)N3CCOCC3)c12)C1CCCc2cccnc12 InChI=1S/C31H38N6O2/c32-13-3-4-16-36(28-11-5-7-23-8-6-14-34-30(23)28)21-26-31-25(12-15-33-26)24-9-1-2-10-27(24)37(31)22-29(38)35-17-19-39-20-18-35/h1-2,6,8-10,12,14-15,28H,3-5,7,11,13,16-22,32H2 PBOCFANSMNVTHY-UHFFFAOYSA-N 221865 US9314468, Table 8, Compound 3 C-X-C chemokine receptor type 4 5.6 US Patent 10.7270/Q2DF6Q2P aid1802564 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221865 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221865&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 68791630 335960779 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388316 NCCCCN(Cc1nccc2c3ccccc3n(CC(N)=O)c12)C1CCCc2cccnc12 InChI=1S/C27H32N6O/c28-13-3-4-16-32(24-11-5-7-19-8-6-14-31-26(19)24)17-22-27-21(12-15-30-22)20-9-1-2-10-23(20)33(27)18-25(29)34/h1-2,6,8-10,12,14-15,24H,3-5,7,11,13,16-18,28H2,(H2,29,34) ABDLOXDCMBBRCJ-UHFFFAOYSA-N 221866 US9314468, Table 8, Compound 4 C-X-C chemokine receptor type 4 5.8 US Patent 10.7270/Q2DF6Q2P aid1802564 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221866 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221866&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 72535462 335960780 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388317 NCCCCN(Cc1nccc2c3ccccc3n(CCCN)c12)C1CCCc2cccnc12 InChI=1S/C28H36N6/c29-14-3-4-18-33(26-12-5-8-21-9-6-16-32-27(21)26)20-24-28-23(13-17-31-24)22-10-1-2-11-25(22)34(28)19-7-15-30/h1-2,6,9-11,13,16-17,26H,3-5,7-8,12,14-15,18-20,29-30H2 ANWJCECNNDZVCW-UHFFFAOYSA-N 221867 US9314468, Table 8, Compound 5 C-X-C chemokine receptor type 4 7.3 US Patent 10.7270/Q2DF6Q2P aid1802564 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221867 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221867&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 72535437 335960781 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388318 NCCCCN(Cc1nccc2c3ccccc3n(CCN3CCOCC3)c12)C1CCCc2cccnc12 InChI=1S/C31H40N6O/c32-13-3-4-16-36(29-11-5-7-24-8-6-14-34-30(24)29)23-27-31-26(12-15-33-27)25-9-1-2-10-28(25)37(31)18-17-35-19-21-38-22-20-35/h1-2,6,8-10,12,14-15,29H,3-5,7,11,13,16-23,32H2 CVDHYOXZYVHTOU-UHFFFAOYSA-N 221868 US9314468, Table 8, Compound 6 C-X-C chemokine receptor type 4 7.7 US Patent 10.7270/Q2DF6Q2P aid1802564 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221868 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221868&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 72535445 335960782 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388319 NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)[I]=O)c12)C1CCCc2cccnc12 InChI=1S/C27H30IN5O2/c29-13-3-4-16-32(24-11-5-7-19-8-6-14-31-26(19)24)17-22-27-21(12-15-30-22)20-9-1-2-10-23(20)33(27)18-25(34)28-35/h1-2,6,8-10,12,14-15,24H,3-5,7,11,13,16-18,29H2 MNAZTJAVYQATRR-UHFFFAOYSA-N 221869 US9314468, Table 8, Compound 7 C-X-C chemokine receptor type 4 8.1 US Patent 10.7270/Q2DF6Q2P aid1802564 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221869 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221869&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 126842508 335960783 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388320 NCCCCN(Cc1nccc2c3ccccc3n(CCCN3CCNCC3)c12)C1CCCc2cccnc12 InChI=1S/C32H43N7/c33-14-3-4-20-38(30-12-5-8-25-9-6-15-36-31(25)30)24-28-32-27(13-16-35-28)26-10-1-2-11-29(26)39(32)21-7-19-37-22-17-34-18-23-37/h1-2,6,9-11,13,15-16,30,34H,3-5,7-8,12,14,17-24,33H2 KRDNCRHWZIFVKV-UHFFFAOYSA-N 221870 US9314468, Table 8, Compound 8 C-X-C chemokine receptor type 4 8.3 US Patent 10.7270/Q2DF6Q2P aid1802564 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221870 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221870&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 72535503 335960784 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388321 C(CN(Cc1nccc2c3ccccc3n(CCN3CCOCC3)c12)C1CCCc2cccnc12)CN1CCNCC1 InChI=1S/C34H45N7O/c1-2-9-31-28(8-1)29-11-13-36-30(34(29)41(31)21-20-39-22-24-42-25-23-39)26-40(17-5-16-38-18-14-35-15-19-38)32-10-3-6-27-7-4-12-37-33(27)32/h1-2,4,7-9,11-13,32,35H,3,5-6,10,14-26H2 GXPPYEGXOSWLLT-UHFFFAOYSA-N 221871 US9314468, Table 8, Compound 9::US9314468, Table 9, Compound 12 C-X-C chemokine receptor type 4 9.3 US Patent 10.7270/Q2DF6Q2P aid1802564 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221871 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221871&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 70965023 335960785 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388322 C[C@H]1CN(C[C@@H](C)O1)C(=O)Cn1c2ccccc2c2ccnc(CN(CCCCN)C3CCCc4cccnc34)c12 InChI=1S/C33H42N6O2/c1-23-19-38(20-24(2)41-23)31(40)22-39-29-12-4-3-11-26(29)27-14-17-35-28(33(27)39)21-37(18-6-5-15-34)30-13-7-9-25-10-8-16-36-32(25)30/h3-4,8,10-12,14,16-17,23-24,30H,5-7,9,13,15,18-22,34H2,1-2H3/t23-,24+,30? FWHNJLUNLZEIMP-QBONCRILSA-N 221872 US9314468, Table 8, Compound 10 C-X-C chemokine receptor type 4 9.9 US Patent 10.7270/Q2DF6Q2P aid1802564 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221872 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221872&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 89667385 335960786 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388323 CN1CCN(CC1)C(=O)Cn1c2ccccc2c2ccnc(CN(CCCCN)C3CCCc4cccnc34)c12 InChI=1S/C32H41N7O/c1-36-18-20-37(21-19-36)30(40)23-39-28-11-3-2-10-25(28)26-13-16-34-27(32(26)39)22-38(17-5-4-14-33)29-12-6-8-24-9-7-15-35-31(24)29/h2-3,7,9-11,13,15-16,29H,4-6,8,12,14,17-23,33H2,1H3 JQTHZRINXVEAFM-UHFFFAOYSA-N 221873 US9314468, Table 8, Compound 11 C-X-C chemokine receptor type 4 11 US Patent 10.7270/Q2DF6Q2P aid1802564 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221873 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221873&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 72535488 335960787 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388324 NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)NC3CCNCC3)c12)C1CCCc2cccnc12 InChI=1S/C32H41N7O/c33-15-3-4-20-38(29-11-5-7-23-8-6-16-36-31(23)29)21-27-32-26(14-19-35-27)25-9-1-2-10-28(25)39(32)22-30(40)37-24-12-17-34-18-13-24/h1-2,6,8-10,14,16,19,24,29,34H,3-5,7,11-13,15,17-18,20-22,33H2,(H,37,40) OIRFPCPZHQDIOS-UHFFFAOYSA-N 221874 US9314468, Table 8, Compound 12::US9314468, Table 9, Compound 3 C-X-C chemokine receptor type 4 12 US Patent 10.7270/Q2DF6Q2P aid1802564 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221874 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221874&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 72535470 335960788 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388325 NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)N3CCC(O)CC3)c12)C1CCCc2cccnc12 InChI=1S/C32H40N6O2/c33-15-3-4-18-37(29-11-5-7-23-8-6-16-35-31(23)29)21-27-32-26(12-17-34-27)25-9-1-2-10-28(25)38(32)22-30(40)36-19-13-24(39)14-20-36/h1-2,6,8-10,12,16-17,24,29,39H,3-5,7,11,13-15,18-22,33H2 QRHNEAJSJWCSFE-UHFFFAOYSA-N 221875 US9314468, Table 8, Compound 13 C-X-C chemokine receptor type 4 12 US Patent 10.7270/Q2DF6Q2P aid1802564 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221875 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221875&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 72535506 335960789 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388326 OCCn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)C3CCCc4cccnc34)c12 InChI=1S/C30H38N6O/c37-21-20-36-27-9-2-1-8-24(27)25-11-13-32-26(30(25)36)22-35(17-5-16-34-18-14-31-15-19-34)28-10-3-6-23-7-4-12-33-29(23)28/h1-2,4,7-9,11-13,28,31,37H,3,5-6,10,14-22H2 PLCLLBVMKOLHCX-UHFFFAOYSA-N 221876 US9314468, Table 8, Compound 14::US9314468, Table 9, Compound 13 C-X-C chemokine receptor type 4 12 US Patent 10.7270/Q2DF6Q2P aid1802564 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221876 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221876&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 72535480 335960790 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388327 O=C(Cn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)C3CCCc4cccnc34)c12)N1CCOCC1 InChI=1S/C34H43N7O2/c42-32(39-20-22-43-23-21-39)25-41-30-9-2-1-8-27(30)28-11-13-36-29(34(28)41)24-40(17-5-16-38-18-14-35-15-19-38)31-10-3-6-26-7-4-12-37-33(26)31/h1-2,4,7-9,11-13,31,35H,3,5-6,10,14-25H2 KHUKENRHVPYVIS-UHFFFAOYSA-N 221877 US9314468, Table 8, Compound 15 C-X-C chemokine receptor type 4 15 US Patent 10.7270/Q2DF6Q2P aid1802564 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221877 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221877&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 68730442 335960791 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388328 OC(=O)Cn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)C3CCCc4cccnc34)c12 InChI=1S/C30H36N6O2/c37-28(38)21-36-26-9-2-1-8-23(26)24-11-13-32-25(30(24)36)20-35(17-5-16-34-18-14-31-15-19-34)27-10-3-6-22-7-4-12-33-29(22)27/h1-2,4,7-9,11-13,27,31H,3,5-6,10,14-21H2,(H,37,38) DQIXSGCNKIWJOJ-UHFFFAOYSA-N 221878 US9314468, Table 8, Compound 16 C-X-C chemokine receptor type 4 26 US Patent 10.7270/Q2DF6Q2P aid1802564 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221878 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221878&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 72535446 335960792 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388329 NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)N3CCOCC3)c12)[C@H]1CCCc2cccnc12 InChI=1S/C31H38N6O2/c32-13-3-4-16-36(28-11-5-7-23-8-6-14-34-30(23)28)21-26-31-25(12-15-33-26)24-9-1-2-10-27(24)37(31)22-29(38)35-17-19-39-20-18-35/h1-2,6,8-10,12,14-15,28H,3-5,7,11,13,16-22,32H2/t28-/m0/s1 PBOCFANSMNVTHY-NDEPHWFRSA-N 221761 US9314468, Table 7, Compound 48::US9314468, Table 9, Compound 1 C-X-C chemokine receptor type 4 12 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221761 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221761&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 59176381 335960697 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388330 NCCCCN(Cc1nccc2c3ccccc3n(CC(O)=O)c12)[C@H]1CCCc2cccnc12 InChI=1S/C27H31N5O2/c28-13-3-4-16-31(24-11-5-7-19-8-6-14-30-26(19)24)17-22-27-21(12-15-29-22)20-9-1-2-10-23(20)32(27)18-25(33)34/h1-2,6,8-10,12,14-15,24H,3-5,7,11,13,16-18,28H2,(H,33,34)/t24-/m0/s1 HXSKVZXRXQFNGG-DEOSSOPVSA-N 221769 US9314468, Table 7, Compound 56::US9314468, Table 9, Compound 2 C-X-C chemokine receptor type 4 22 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221769 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221769&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 59176365 335960702 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388331 NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)NC3CCNCC3)c12)C1CCCc2cccnc12 InChI=1S/C32H41N7O/c33-15-3-4-20-38(29-11-5-7-23-8-6-16-36-31(23)29)21-27-32-26(14-19-35-27)25-9-1-2-10-28(25)39(32)22-30(40)37-24-12-17-34-18-13-24/h1-2,6,8-10,14,16,19,24,29,34H,3-5,7,11-13,15,17-18,20-22,33H2,(H,37,40) OIRFPCPZHQDIOS-UHFFFAOYSA-N 221874 US9314468, Table 8, Compound 12::US9314468, Table 9, Compound 3 C-X-C chemokine receptor type 4 126 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221874 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221874&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 72535470 335960788 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388332 NCCCCN(Cc1nccc2c3ccccc3n(CCCN3CCNCC3)c12)[C@H]1CCCc2cccnc12 InChI=1S/C32H43N7/c33-14-3-4-20-38(30-12-5-8-25-9-6-15-36-31(25)30)24-28-32-27(13-16-35-28)26-10-1-2-11-29(26)39(32)21-7-19-37-22-17-34-18-23-37/h1-2,6,9-11,13,15-16,30,34H,3-5,7-8,12,14,17-24,33H2/t30-/m0/s1 KRDNCRHWZIFVKV-PMERELPUSA-N 221783 US9314468, Table 7, Compound 70::US9314468, Table 9, Compound 4 C-X-C chemokine receptor type 4 16 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221783 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221783&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 59176504 335960710 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388333 CN1CCN(CC1)C(=O)Cn1c2ccccc2c2ccnc(CN(CCCCN)[C@H]3CCCc4cccnc34)c12 InChI=1S/C32H41N7O/c1-36-18-20-37(21-19-36)30(40)23-39-28-11-3-2-10-25(28)26-13-16-34-27(32(26)39)22-38(17-5-4-14-33)29-12-6-8-24-9-7-15-35-31(24)29/h2-3,7,9-11,13,15-16,29H,4-6,8,12,14,17-23,33H2,1H3/t29-/m0/s1 JQTHZRINXVEAFM-LJAQVGFWSA-N 221785 US9314468, Table 7, Compound 72::US9314468, Table 9, Compound 5 C-X-C chemokine receptor type 4 30 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221785 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221785&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 59176465 335960711 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388334 O=C(Cn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)[C@H]3CCCc4cccnc34)c12)C1CCOCC1 InChI=1S/C35H44N6O2/c42-33(26-12-22-43-23-13-26)25-41-31-9-2-1-8-28(31)29-11-15-37-30(35(29)41)24-40(19-5-18-39-20-16-36-17-21-39)32-10-3-6-27-7-4-14-38-34(27)32/h1-2,4,7-9,11,14-15,26,32,36H,3,5-6,10,12-13,16-25H2/t32-/m0/s1 KSUXJPSRDWREHP-YTTGMZPUSA-N 221884 US9314468, Table 9, Compound 6 C-X-C chemokine receptor type 4 44 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221884 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221884&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 89667390 335960793 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388335 CC(C)(C)OC(=O)Cn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)[C@H]3CCCc4cccnc34)c12 InChI=1S/C34H44N6O2/c1-34(2,3)42-31(41)24-40-29-12-5-4-11-26(29)27-14-16-36-28(33(27)40)23-39(20-8-19-38-21-17-35-18-22-38)30-13-6-9-25-10-7-15-37-32(25)30/h4-5,7,10-12,14-16,30,35H,6,8-9,13,17-24H2,1-3H3/t30-/m0/s1 AQKCUDVGYZOCIQ-PMERELPUSA-N 221803 US9314468, Table 7, Compound 90::US9314468, Table 9, Compound 7 C-X-C chemokine receptor type 4 37 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221803 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221803&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 59176557 335960726 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388336 C[C@H]1CN(C[C@@H](C)O1)C(=O)Cn1c2ccccc2c2ccnc(CN(CCCCN)[C@H]3CCCc4cccnc34)c12 InChI=1S/C33H42N6O2/c1-23-19-38(20-24(2)41-23)31(40)22-39-29-12-4-3-11-26(29)27-14-17-35-28(33(27)39)21-37(18-6-5-15-34)30-13-7-9-25-10-8-16-36-32(25)30/h3-4,8,10-12,14,16-17,23-24,30H,5-7,9,13,15,18-22,34H2,1-2H3/t23-,24+,30-/m0/s1 FWHNJLUNLZEIMP-BBANNHEPSA-N 221804 US9314468, Table 7, Compound 91::US9314468, Table 9, Compound 8 C-X-C chemokine receptor type 4 123 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221804 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221804&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 59176500 335960727 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388337 NCCCCN(Cc1nccc2c3ccccc3n(CCCN)c12)[C@H]1CCCc2cccnc12 InChI=1S/C28H36N6/c29-14-3-4-18-33(26-12-5-8-21-9-6-16-32-27(21)26)20-24-28-23(13-17-31-24)22-10-1-2-11-25(22)34(28)19-7-15-30/h1-2,6,9-11,13,16-17,26H,3-5,7-8,12,14-15,18-20,29-30H2/t26-/m0/s1 ANWJCECNNDZVCW-SANMLTNESA-N 221808 US9314468, Table 7, Compound 95::US9314468, Table 9, Compound 9 C-X-C chemokine receptor type 4 7 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221808 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221808&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 59176357 335960729 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388338 OC(=O)Cn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)[C@H]3CCCc4cccnc34)c12 InChI=1S/C30H36N6O2/c37-28(38)21-36-26-9-2-1-8-23(26)24-11-13-32-25(30(24)36)20-35(17-5-16-34-18-14-31-15-19-34)27-10-3-6-22-7-4-12-33-29(22)27/h1-2,4,7-9,11-13,27,31H,3,5-6,10,14-21H2,(H,37,38)/t27-/m0/s1 DQIXSGCNKIWJOJ-MHZLTWQESA-N 221813 US9314468, Table 7, Compound 100::US9314468, Table 9, Compound 10 C-X-C chemokine receptor type 4 113 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221813 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221813&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 59176375 335960733 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388339 NCCCCN(Cc1nccc2c3ccccc3n(CCN3CCNCC3)c12)[C@H]1CCCc2cccnc12 InChI=1S/C31H41N7/c32-13-3-4-18-37(29-11-5-7-24-8-6-14-35-30(24)29)23-27-31-26(12-15-34-27)25-9-1-2-10-28(25)38(31)22-21-36-19-16-33-17-20-36/h1-2,6,8-10,12,14-15,29,33H,3-5,7,11,13,16-23,32H2/t29-/m0/s1 UVLUSKOWWGCJCZ-LJAQVGFWSA-N 221814 US9314468, Table 7, Compound 101::US9314468, Table 9, Compound 11 C-X-C chemokine receptor type 4 55 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221814 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221814&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 70924198 335960734 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388340 C(CN(Cc1nccc2c3ccccc3n(CCN3CCOCC3)c12)C1CCCc2cccnc12)CN1CCNCC1 InChI=1S/C34H45N7O/c1-2-9-31-28(8-1)29-11-13-36-30(34(29)41(31)21-20-39-22-24-42-25-23-39)26-40(17-5-16-38-18-14-35-15-19-38)32-10-3-6-27-7-4-12-37-33(27)32/h1-2,4,7-9,11-13,32,35H,3,5-6,10,14-26H2 GXPPYEGXOSWLLT-UHFFFAOYSA-N 221871 US9314468, Table 8, Compound 9::US9314468, Table 9, Compound 12 C-X-C chemokine receptor type 4 24 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221871 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221871&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 70965023 335960785 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388341 OCCn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)C3CCCc4cccnc34)c12 InChI=1S/C30H38N6O/c37-21-20-36-27-9-2-1-8-24(27)25-11-13-32-26(30(25)36)22-35(17-5-16-34-18-14-31-15-19-34)28-10-3-6-23-7-4-12-33-29(23)28/h1-2,4,7-9,11-13,28,31,37H,3,5-6,10,14-22H2 PLCLLBVMKOLHCX-UHFFFAOYSA-N 221876 US9314468, Table 8, Compound 14::US9314468, Table 9, Compound 13 C-X-C chemokine receptor type 4 56 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221876 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221876&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 72535480 335960790 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 388342 NCCCCN(Cc1nccc2c3ccccc3n(CC(N)=O)c12)[C@H]1CCCc2cccnc12 InChI=1S/C27H32N6O/c28-13-3-4-16-32(24-11-5-7-19-8-6-14-31-26(19)24)17-22-27-21(12-15-30-22)20-9-1-2-10-23(20)33(27)18-25(29)34/h1-2,6,8-10,12,14-15,24H,3-5,7,11,13,16-18,28H2,(H2,29,34)/t24-/m0/s1 ABDLOXDCMBBRCJ-DEOSSOPVSA-N 221825 US9314468, Table 7, Compound 112::US9314468, Table 9, Compound 14 C-X-C chemokine receptor type 4 18 37.00 C US Patent 10.7270/Q2DF6Q2P aid1802563 US9314468 Clark, MP; Wagner, FF; Natchus, MG; Doroh, BC; Johnson, TL; Tahirovic, YA; Wilson, L; Wiseman, JM; Skudlarek, JW; Lockwood, MA Altiris Therapeutics, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221825 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221825&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 59176416 335960744 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50014253 NCCCC[C@H]1NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCNC(N)=O)NC1=O)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)c1ccc2ccccc2c1 InChI=1S/C89H137N33O20S2/c90-34-4-3-16-56-72(128)115-61(21-10-41-109-89(102)142)81(137)122-42-12-23-67(122)79(135)118-64(44-49-26-32-54(124)33-27-49)76(132)114-57(17-6-36-104-84(94)95)71(127)112-59(20-9-40-108-88(101)141)73(129)119-65(77(133)116-62(82(138)139)22-11-38-106-86(98)99)46-143-144-47-66(78(134)117-63(43-48-24-30-53(123)31-25-48)75(131)113-58(70(126)111-56)19-8-39-107-87(100)140)120-80(136)68(52-29-28-50-13-1-2-14-51(50)45-52)121-74(130)60(18-7-37-105-85(96)97)110-69(125)55(91)15-5-35-103-83(92)93/h1-2,13-14,24-33,45,55-68,123-124H,3-12,15-23,34-44,46-47,90-91H2,(H,110,125)(H,111,126)(H,112,127)(H,113,131)(H,114,132)(H,115,128)(H,116,133)(H,117,134)(H,118,135)(H,119,129)(H,120,136)(H,121,130)(H,138,139)(H4,92,93,103)(H4,94,95,104)(H4,96,97,105)(H4,98,99,106)(H3,100,107,140)(H3,101,108,141)(H3,102,109,142)/t55-,56+,57-,58-,59-,60-,61-,62-,63+,64-,65+,66+,67+,68-/m0/s1 VZVSUSHHLMPTMM-GFIORFOWSA-N 50102035 CHEMBL2372997::Derivative of T140 peptide C-X-C chemokine receptor type 4 51 ChEMBL 10.1016/s0960-894x(01)00323-7 10.7270/Q25X29FS 11459656 Tamamura, H; Omagari, A; Hiramatsu, K; Gotoh, K; Kanamoto, T; Xu, Y; Kodama, E; Matsuoka, M; Hattori, T; Yamamoto, N; Nakashima, H; Otaka, A; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50102035 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50102035&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 73351835 103998592 CHEMBL2372997 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50014255 NCCCC[C@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCCN)NC1=O)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)c1ccc2ccccc2c1 InChI=1S/C89H139N33O18S2/c90-35-5-3-17-57-73(128)115-62(18-4-6-36-91)82(137)122-43-13-24-68(122)80(135)118-65(45-50-27-33-55(124)34-28-50)77(132)114-59(20-9-39-106-86(97)98)72(127)112-60(22-11-42-109-89(103)140)74(129)119-66(78(133)116-63(83(138)139)23-12-41-108-88(101)102)47-141-142-48-67(79(134)117-64(44-49-25-31-54(123)32-26-49)76(131)113-58(71(126)111-57)19-8-38-105-85(95)96)120-81(136)69(53-30-29-51-14-1-2-15-52(51)46-53)121-75(130)61(21-10-40-107-87(99)100)110-70(125)56(92)16-7-37-104-84(93)94/h1-2,14-15,25-34,46,56-69,123-124H,3-13,16-24,35-45,47-48,90-92H2,(H,110,125)(H,111,126)(H,112,127)(H,113,131)(H,114,132)(H,115,128)(H,116,133)(H,117,134)(H,118,135)(H,119,129)(H,120,136)(H,121,130)(H,138,139)(H4,93,94,104)(H4,95,96,105)(H4,97,98,106)(H4,99,100,107)(H4,101,102,108)(H3,103,109,140)/t56-,57+,58-,59-,60-,61-,62-,63-,64+,65-,66+,67+,68+,69-/m0/s1 DRRZOHRPEXLSPD-UHMPCPRASA-N 50096735 CHEMBL2372983::Compound T140 C-X-C chemokine receptor type 4 3.3 ChEMBL 10.1016/s0960-894x(01)00323-7 10.7270/Q25X29FS 11459656 Tamamura, H; Omagari, A; Hiramatsu, K; Gotoh, K; Kanamoto, T; Xu, Y; Kodama, E; Matsuoka, M; Hattori, T; Yamamoto, N; Nakashima, H; Otaka, A; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50096735 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50096735&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 73353307 103994214 CHEMBL2372983 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50014257 NCCCC[C@H]1NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCNC(N)=O)NC1=O)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)c1ccc2ccccc2c1 InChI=1S/C89H138N34O19S2/c90-34-4-3-16-57-73(130)117-62(22-11-41-110-89(103)142)82(139)123-42-12-23-67(123)80(137)119-64(44-49-26-32-54(125)33-27-49)77(134)116-58(18-7-37-106-85(97)98)72(129)114-60(21-10-40-109-88(102)141)74(131)120-65(78(135)111-56(69(92)126)17-6-36-105-84(95)96)46-143-144-47-66(79(136)118-63(43-48-24-30-53(124)31-25-48)76(133)115-59(71(128)113-57)20-9-39-108-87(101)140)121-81(138)68(52-29-28-50-13-1-2-14-51(50)45-52)122-75(132)61(19-8-38-107-86(99)100)112-70(127)55(91)15-5-35-104-83(93)94/h1-2,13-14,24-33,45,55-68,124-125H,3-12,15-23,34-44,46-47,90-91H2,(H2,92,126)(H,111,135)(H,112,127)(H,113,128)(H,114,129)(H,115,133)(H,116,134)(H,117,130)(H,118,136)(H,119,137)(H,120,131)(H,121,138)(H,122,132)(H4,93,94,104)(H4,95,96,105)(H4,97,98,106)(H4,99,100,107)(H3,101,108,140)(H3,102,109,141)(H3,103,110,142)/t55-,56-,57+,58-,59-,60-,61-,62-,63+,64-,65+,66+,67+,68-/m0/s1 LPVMQSNXTREYEL-ACFTWUOWSA-N 50102036 CHEMBL2372985::Derivative of T140 peptide C-X-C chemokine receptor type 4 19 ChEMBL 10.1016/s0960-894x(01)00323-7 10.7270/Q25X29FS 11459656 Tamamura, H; Omagari, A; Hiramatsu, K; Gotoh, K; Kanamoto, T; Xu, Y; Kodama, E; Matsuoka, M; Hattori, T; Yamamoto, N; Nakashima, H; Otaka, A; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50102036 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50102036&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 73356370 103998593 CHEMBL2372985 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50014258 NCCCC[C@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCNC(N)=O)NC1=O)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)c1ccc2ccccc2c1 InChI=1S/C89H138N34O19S2/c90-34-4-3-16-57-73(130)117-62(22-11-41-110-89(103)142)82(139)123-42-12-23-67(123)80(137)119-64(44-49-26-32-54(125)33-27-49)77(134)116-59(20-9-39-108-87(101)140)72(129)114-60(21-10-40-109-88(102)141)74(131)120-65(78(135)111-56(69(92)126)17-6-36-105-84(95)96)46-143-144-47-66(79(136)118-63(43-48-24-30-53(124)31-25-48)76(133)115-58(71(128)113-57)18-7-37-106-85(97)98)121-81(138)68(52-29-28-50-13-1-2-14-51(50)45-52)122-75(132)61(19-8-38-107-86(99)100)112-70(127)55(91)15-5-35-104-83(93)94/h1-2,13-14,24-33,45,55-68,124-125H,3-12,15-23,34-44,46-47,90-91H2,(H2,92,126)(H,111,135)(H,112,127)(H,113,128)(H,114,129)(H,115,133)(H,116,134)(H,117,130)(H,118,136)(H,119,137)(H,120,131)(H,121,138)(H,122,132)(H4,93,94,104)(H4,95,96,105)(H4,97,98,106)(H4,99,100,107)(H3,101,108,140)(H3,102,109,141)(H3,103,110,142)/t55-,56-,57+,58-,59-,60-,61-,62-,63+,64-,65+,66+,67+,68-/m0/s1 JBMWIJDWOSTPEN-ACFTWUOWSA-N 50102046 CHEMBL2372989::Derivative of T140 peptide C-X-C chemokine receptor type 4 2.7 ChEMBL 10.1016/s0960-894x(01)00323-7 10.7270/Q25X29FS 11459656 Tamamura, H; Omagari, A; Hiramatsu, K; Gotoh, K; Kanamoto, T; Xu, Y; Kodama, E; Matsuoka, M; Hattori, T; Yamamoto, N; Nakashima, H; Otaka, A; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50102046 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50102046&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 73353309 103998603 CHEMBL2372989 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50014259 NCCCC[C@H]1NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCCN)NC1=O)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)c1ccc2ccccc2c1 InChI=1S/C89H138N32O19S2/c90-35-5-3-17-57-73(127)114-62(18-4-6-36-91)82(136)121-43-13-24-68(121)80(134)117-65(45-50-27-33-55(123)34-28-50)77(131)113-58(19-8-38-104-85(95)96)72(126)111-60(22-11-42-108-89(102)140)74(128)118-66(78(132)115-63(83(137)138)23-12-40-106-87(99)100)47-141-142-48-67(79(133)116-64(44-49-25-31-54(122)32-26-49)76(130)112-59(71(125)110-57)21-10-41-107-88(101)139)119-81(135)69(53-30-29-51-14-1-2-15-52(51)46-53)120-75(129)61(20-9-39-105-86(97)98)109-70(124)56(92)16-7-37-103-84(93)94/h1-2,14-15,25-34,46,56-69,122-123H,3-13,16-24,35-45,47-48,90-92H2,(H,109,124)(H,110,125)(H,111,126)(H,112,130)(H,113,131)(H,114,127)(H,115,132)(H,116,133)(H,117,134)(H,118,128)(H,119,135)(H,120,129)(H,137,138)(H4,93,94,103)(H4,95,96,104)(H4,97,98,105)(H4,99,100,106)(H3,101,107,139)(H3,102,108,140)/t56-,57+,58-,59-,60-,61-,62-,63-,64+,65-,66+,67+,68+,69-/m0/s1 JSIPFRDOHITRQJ-UHMPCPRASA-N 50102044 CHEMBL2373002::Derivative of T140 peptide C-X-C chemokine receptor type 4 8 ChEMBL 10.1016/s0960-894x(01)00323-7 10.7270/Q25X29FS 11459656 Tamamura, H; Omagari, A; Hiramatsu, K; Gotoh, K; Kanamoto, T; Xu, Y; Kodama, E; Matsuoka, M; Hattori, T; Yamamoto, N; Nakashima, H; Otaka, A; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50102044 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50102044&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 73354823 103998601 CHEMBL2373002 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50014260 NCCCC[C@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCNC(N)=O)NC1=O)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)c1ccc2ccccc2c1 InChI=1S/C89H138N34O19S2/c90-34-4-3-16-56-72(129)116-61(21-10-41-110-89(103)142)81(138)123-42-12-23-67(123)79(136)119-64(44-49-26-32-54(125)33-27-49)76(133)115-58(18-7-37-106-85(96)97)71(128)113-59(20-9-40-109-88(102)141)73(130)120-65(77(134)117-62(82(139)140)22-11-39-108-87(100)101)46-143-144-47-66(78(135)118-63(43-48-24-30-53(124)31-25-48)75(132)114-57(70(127)112-56)17-6-36-105-84(94)95)121-80(137)68(52-29-28-50-13-1-2-14-51(50)45-52)122-74(131)60(19-8-38-107-86(98)99)111-69(126)55(91)15-5-35-104-83(92)93/h1-2,13-14,24-33,45,55-68,124-125H,3-12,15-23,34-44,46-47,90-91H2,(H,111,126)(H,112,127)(H,113,128)(H,114,132)(H,115,133)(H,116,129)(H,117,134)(H,118,135)(H,119,136)(H,120,130)(H,121,137)(H,122,131)(H,139,140)(H4,92,93,104)(H4,94,95,105)(H4,96,97,106)(H4,98,99,107)(H4,100,101,108)(H3,102,109,141)(H3,103,110,142)/t55-,56+,57-,58-,59-,60-,61-,62-,63+,64-,65+,66+,67+,68-/m0/s1 DAPVWBRHBTWYGS-GFIORFOWSA-N 50102040 CHEMBL2372994::T140 C-X-C chemokine receptor type 4 23 ChEMBL 10.1016/s0960-894x(01)00323-7 10.7270/Q25X29FS 11459656 Tamamura, H; Omagari, A; Hiramatsu, K; Gotoh, K; Kanamoto, T; Xu, Y; Kodama, E; Matsuoka, M; Hattori, T; Yamamoto, N; Nakashima, H; Otaka, A; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50102040 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50102040&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 73353310 103998597 CHEMBL2372994 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50019256 C[C@H]1\C=C/[C@@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC[C@H](NC(=O)C(CCCNC(N)=O)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCN=C(N)N InChI=1S/C89H140N32O17S2/c1-50-24-31-56(16-4-6-36-90)110-73(126)60(18-5-7-37-91)112-74(127)62(20-10-40-106-86(97)98)115-79(132)67(46-52-28-34-58(123)35-29-52)119-82(135)70(121-80(133)68(47-53-25-30-54-14-2-3-15-55(54)44-53)118-76(129)61(19-9-39-105-85(95)96)111-72(125)59(92)17-8-38-104-84(93)94)49-140-139-48-69(81(134)116-65(83(136)137)23-13-42-108-88(101)102)120-77(130)64(22-12-43-109-89(103)138)113-75(128)63(21-11-41-107-87(99)100)114-78(131)66(117-71(50)124)45-51-26-32-57(122)33-27-51/h2-3,14-15,24-35,44,50,56,59-70,122-123H,4-13,16-23,36-43,45-49,90-92H2,1H3,(H,110,126)(H,111,125)(H,112,127)(H,113,128)(H,114,131)(H,115,132)(H,116,134)(H,117,124)(H,118,129)(H,119,135)(H,120,130)(H,121,133)(H,136,137)(H4,93,94,104)(H4,95,96,105)(H4,97,98,106)(H4,99,100,107)(H4,101,102,108)(H3,103,109,138)/b31-24-/t50-,56+,59-,60-,61-,62+,63+,64?,65-,66-,67-,68-,69-,70-/m0/s1 OIPDSEWCUJBWPS-VFAQCTDESA-N 50111971 CHEMBL409991::cyclic pseudopeptide Analogue C-X-C chemokine receptor type 4 6900 ChEMBL 10.1016/s0960-894x(02)00041-0 10.7270/Q24M93TG 11958995 Tamamura, H; Hiramatsu, K; Miyamoto, K; Omagari, A; Oishi, S; Nakashima, H; Yamamoto, N; Kuroda, Y; Nakagawa, T; Otaka, A; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50111971 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50111971&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 91931937 104006493 CHEMBL409991 C04026 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50019257 C[C@H]1\C=C/[C@@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC[C@H](NC(=O)C(CCCNC(N)=O)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCN=C(N)N InChI=1S/C89H141N33O16S2/c1-50-24-31-56(16-4-6-36-90)111-74(128)61(18-5-7-37-91)114-75(129)63(21-11-41-108-87(100)101)117-80(134)67(46-52-28-34-58(124)35-29-52)120-83(137)70(122-81(135)68(47-53-25-30-54-14-2-3-15-55(54)44-53)119-77(131)62(20-10-40-107-86(98)99)113-73(127)59(92)17-8-38-105-84(94)95)49-140-139-48-69(82(136)112-60(71(93)125)19-9-39-106-85(96)97)121-78(132)65(23-13-43-110-89(104)138)115-76(130)64(22-12-42-109-88(102)103)116-79(133)66(118-72(50)126)45-51-26-32-57(123)33-27-51/h2-3,14-15,24-35,44,50,56,59-70,123-124H,4-13,16-23,36-43,45-49,90-92H2,1H3,(H2,93,125)(H,111,128)(H,112,136)(H,113,127)(H,114,129)(H,115,130)(H,116,133)(H,117,134)(H,118,126)(H,119,131)(H,120,137)(H,121,132)(H,122,135)(H4,94,95,105)(H4,96,97,106)(H4,98,99,107)(H4,100,101,108)(H4,102,103,109)(H3,104,110,138)/b31-24-/t50-,56+,59-,60-,61-,62-,63+,64+,65?,66-,67-,68-,69-,70-/m0/s1 ZGZJTXGRYISTHO-ZSWAADIUSA-N 50111969 CHEMBL440638::T140 analogue C-X-C chemokine receptor type 4 10000 ChEMBL 10.1016/s0960-894x(02)00041-0 10.7270/Q24M93TG 11958995 Tamamura, H; Hiramatsu, K; Miyamoto, K; Omagari, A; Oishi, S; Nakashima, H; Yamamoto, N; Kuroda, Y; Nakagawa, T; Otaka, A; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50111969 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50111969&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 91931935 104006491 CHEMBL440638 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50019258 C[C@H]1\C=C/[C@@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC[C@H](NC(=O)C(CCCNC(N)=O)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCN=C(N)N InChI=1S/C87H139N33O17S2/c1-48-24-29-52(14-4-6-34-88)109-71(125)58(18-5-7-35-89)111-72(126)60(20-10-38-104-84(95)96)114-77(131)65(43-50-27-32-54(122)33-28-50)117-80(134)68(120-78(132)66(44-51-45-108-57-17-3-2-15-55(51)57)118-74(128)59(19-9-37-103-83(93)94)110-70(124)56(90)16-8-36-102-82(91)92)47-139-138-46-67(79(133)115-63(81(135)136)23-13-40-106-86(99)100)119-75(129)62(22-12-41-107-87(101)137)112-73(127)61(21-11-39-105-85(97)98)113-76(130)64(116-69(48)123)42-49-25-30-53(121)31-26-49/h2-3,15,17,24-33,45,48,52,56,58-68,108,121-122H,4-14,16,18-23,34-44,46-47,88-90H2,1H3,(H,109,125)(H,110,124)(H,111,126)(H,112,127)(H,113,130)(H,114,131)(H,115,133)(H,116,123)(H,117,134)(H,118,128)(H,119,129)(H,120,132)(H,135,136)(H4,91,92,102)(H4,93,94,103)(H4,95,96,104)(H4,97,98,105)(H4,99,100,106)(H3,101,107,137)/b29-24-/t48-,52+,56-,58-,59-,60+,61+,62?,63-,64-,65-,66-,67-,68-/m0/s1 HRRYALJZZOBCEX-QVZKSEFZSA-N 50111970 CHEMBL414085::Pseudopeptide Analogue C-X-C chemokine receptor type 4 30000 ChEMBL 10.1016/s0960-894x(02)00041-0 10.7270/Q24M93TG 11958995 Tamamura, H; Hiramatsu, K; Miyamoto, K; Omagari, A; Oishi, S; Nakashima, H; Yamamoto, N; Kuroda, Y; Nakagawa, T; Otaka, A; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50111970 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50111970&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 91931936 104006492 CHEMBL414085 C04026 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50073227 NC(N)=NCCC[C@H](NC(=O)[C@H]1CSSC[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)c2ccc(F)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCNC(=O)CCC(=O)NCCCCCCCCN2CCC(CC2)NC(=O)C(=O)Nc2ccc(Cl)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N1)C(N)=O InChI=1S/C122H179ClFN39O23S2/c123-77-38-42-79(43-39-77)147-113(182)114(183)148-80-50-63-162(64-51-80)61-10-4-2-1-3-8-52-138-97(166)48-49-98(167)139-53-9-7-21-90-115(184)163-62-18-29-96(163)112(181)159-92(67-72-33-46-82(165)47-34-72)108(177)155-85(24-13-56-142-118(130)131)102(171)153-89(28-17-60-146-122(137)186)106(175)160-94(110(179)149-83(99(125)168)22-11-54-140-116(126)127)69-187-188-70-95(111(180)158-91(66-71-31-44-81(164)45-32-71)107(176)154-86(27-16-59-145-121(136)185)103(172)151-87(104(173)156-90)25-14-57-143-119(132)133)161-109(178)93(68-73-30-35-74-19-5-6-20-76(74)65-73)157-105(174)88(26-15-58-144-120(134)135)152-101(170)84(23-12-55-141-117(128)129)150-100(169)75-36-40-78(124)41-37-75/h5-6,19-20,30-47,65,80,83-96,164-165H,1-4,7-18,21-29,48-64,66-70H2,(H2,125,168)(H,138,166)(H,139,167)(H,147,182)(H,148,183)(H,149,179)(H,150,169)(H,151,172)(H,152,170)(H,153,171)(H,154,176)(H,155,177)(H,156,173)(H,157,174)(H,158,180)(H,159,181)(H,160,175)(H,161,178)(H4,126,127,140)(H4,128,129,141)(H4,130,131,142)(H4,132,133,143)(H4,134,135,144)(H3,136,145,185)(H3,137,146,186)/t83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94+,95+,96-/m0/s1 OQQBJAMSZBPMME-PZMPMIOWSA-N 50327302 CHEMBL1256530::CHEMBL1256583 C-X-C chemokine receptor type 4 7.1 ChEMBL 10.1016/j.bmcl.2010.07.106 10.7270/Q2TX3FKH 20728351 Narumi, T; Ochiai, C; Yoshimura, K; Harada, S; Tanaka, T; Nomura, W; Arai, H; Ozaki, T; Ohashi, N; Matsushita, S; Tamamura, H Tokyo Medical and Dental University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50327302 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50327302&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 91933417 123106417 CHEMBL1256530CHEMBL1256583 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50193713 Oc1c(Cc2c[nH]c3ccccc23)[nH]c(=O)n1CC(CCN1CCC(CC1)N(CC=C)C(=O)OCc1ccccc1)c1cccc(Cl)c1 InChI=1S/C38H42ClN5O4/c1-2-18-43(38(47)48-26-27-9-4-3-5-10-27)32-16-20-42(21-17-32)19-15-29(28-11-8-12-31(39)22-28)25-44-36(45)35(41-37(44)46)23-30-24-40-34-14-7-6-13-33(30)34/h2-14,22,24,29,32,40,45H,1,15-21,23,25-26H2,(H,41,46) SADUDVAXDUKTFI-UHFFFAOYSA-N 50106929 Allyl-(1-{3-(3-chloro-phenyl)-4-[(R)-4-(1H-indol-3-ylmethyl)-2,5-dioxo-imidazolidin-1-yl]-butyl}-piperidin-4-yl)-carbamic acid benzyl ester::CHEMBL107128 C-X-C chemokine receptor type 4 >1000 ChEMBL 10.1016/s0960-894x(01)00654-0 10.7270/Q2KK9B26 11720851 Kim, D; Wang, L; Caldwell, CG; Chen, P; Finke, PE; Oates, B; MacCoss, M; Mills, SG; Malkowitz, L; Gould, SL; DeMartino, JA; Springer, MS; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Carver, G; Carella, A; Holmes, K; Lineberger, J; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50106929 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50106929&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 91931823 104002358 CHEMBL107128 ZINC26840559 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50193725 CCN(C1CCN(CCC(Cn2c(O)c(Cc3c[nH]c4ccccc34)[nH]c2=O)c2cccc(Cl)c2)CC1)C(=O)OCc1ccccc1 InChI=1S/C37H42ClN5O4/c1-2-42(37(46)47-25-26-9-4-3-5-10-26)31-16-19-41(20-17-31)18-15-28(27-11-8-12-30(38)21-27)24-43-35(44)34(40-36(43)45)22-29-23-39-33-14-7-6-13-32(29)33/h3-14,21,23,28,31,39,44H,2,15-20,22,24-25H2,1H3,(H,40,45) GPWGUUTTZSMWMP-UHFFFAOYSA-N 50106932 (1-{3-(3-Chloro-phenyl)-4-[(R)-4-(1H-indol-3-ylmethyl)-2,5-dioxo-imidazolidin-1-yl]-butyl}-piperidin-4-yl)-ethyl-carbamic acid benzyl ester::CHEMBL105975 C-X-C chemokine receptor type 4 >1000 ChEMBL 10.1016/s0960-894x(01)00654-0 10.7270/Q2KK9B26 11720851 Kim, D; Wang, L; Caldwell, CG; Chen, P; Finke, PE; Oates, B; MacCoss, M; Mills, SG; Malkowitz, L; Gould, SL; DeMartino, JA; Springer, MS; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Carver, G; Carella, A; Holmes, K; Lineberger, J; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50106932 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50106932&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 91931826 104002361 CHEMBL105975 ZINC26843052 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50193729 CCN(C1CCN(CCC(Cn2c(O)c(Cc3c[nH]c4ccccc34)[nH]c2=O)c2ccccc2)CC1)C(=O)OCc1ccccc1 InChI=1S/C37H43N5O4/c1-2-41(37(45)46-26-27-11-5-3-6-12-27)31-18-21-40(22-19-31)20-17-29(28-13-7-4-8-14-28)25-42-35(43)34(39-36(42)44)23-30-24-38-33-16-10-9-15-32(30)33/h3-16,24,29,31,38,43H,2,17-23,25-26H2,1H3,(H,39,44) VFJWEZDOYLGUHL-UHFFFAOYSA-N 50106934 CHEMBL317860::Ethyl-(1-{4-[(R)-4-(1H-indol-3-ylmethyl)-2,5-dioxo-imidazolidin-1-yl]-3-phenyl-butyl}-piperidin-4-yl)-carbamic acid benzyl ester C-X-C chemokine receptor type 4 >1000 ChEMBL 10.1016/s0960-894x(01)00654-0 10.7270/Q2KK9B26 11720851 Kim, D; Wang, L; Caldwell, CG; Chen, P; Finke, PE; Oates, B; MacCoss, M; Mills, SG; Malkowitz, L; Gould, SL; DeMartino, JA; Springer, MS; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Carver, G; Carella, A; Holmes, K; Lineberger, J; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50106934 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50106934&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 91931828 104002363 CHEMBL317860 ZINC26843063 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50193734 CCN(C1CCN(CCC(C)(Cn2c(O)c(Cc3c[nH]c4ccccc34)[nH]c2=O)c2ccccc2)CC1)C(=O)OCc1ccccc1 InChI=1S/C38H45N5O4/c1-3-42(37(46)47-26-28-12-6-4-7-13-28)31-18-21-41(22-19-31)23-20-38(2,30-14-8-5-9-15-30)27-43-35(44)34(40-36(43)45)24-29-25-39-33-17-11-10-16-32(29)33/h4-17,25,31,39,44H,3,18-24,26-27H2,1-2H3,(H,40,45) XICJSXXAPJVMHS-UHFFFAOYSA-N 50106931 CHEMBL106907::Ethyl-(1-{4-[(R)-4-(1H-indol-3-ylmethyl)-2,5-dioxo-imidazolidin-1-yl]-3-methyl-3-phenyl-butyl}-piperidin-4-yl)-carbamic acid benzyl ester C-X-C chemokine receptor type 4 >1000 ChEMBL 10.1016/s0960-894x(01)00654-0 10.7270/Q2KK9B26 11720851 Kim, D; Wang, L; Caldwell, CG; Chen, P; Finke, PE; Oates, B; MacCoss, M; Mills, SG; Malkowitz, L; Gould, SL; DeMartino, JA; Springer, MS; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Carver, G; Carella, A; Holmes, K; Lineberger, J; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50106931 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50106931&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 91931825 104002360 CHEMBL106907 ZINC26840032 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50193746 CC(CCN1CCC(CC1)N(CC=C)C(=O)OCc1ccccc1)(Cn1c(O)c(Cc2c[nH]c3ccccc23)[nH]c1=O)c1ccccc1 InChI=1S/C39H45N5O4/c1-3-21-43(38(47)48-27-29-12-6-4-7-13-29)32-18-22-42(23-19-32)24-20-39(2,31-14-8-5-9-15-31)28-44-36(45)35(41-37(44)46)25-30-26-40-34-17-11-10-16-33(30)34/h3-17,26,32,40,45H,1,18-25,27-28H2,2H3,(H,41,46) ZPUKCJCLSSHLSV-UHFFFAOYSA-N 50106930 Allyl-(1-{4-[(R)-4-(1H-indol-3-ylmethyl)-2,5-dioxo-imidazolidin-1-yl]-3-methyl-3-phenyl-butyl}-piperidin-4-yl)-carbamic acid benzyl ester::CHEMBL104698 C-X-C chemokine receptor type 4 >1000 ChEMBL 10.1016/s0960-894x(01)00654-0 10.7270/Q2KK9B26 11720851 Kim, D; Wang, L; Caldwell, CG; Chen, P; Finke, PE; Oates, B; MacCoss, M; Mills, SG; Malkowitz, L; Gould, SL; DeMartino, JA; Springer, MS; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Carver, G; Carella, A; Holmes, K; Lineberger, J; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50106930 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50106930&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 91931824 104002359 CHEMBL104698 ZINC26834505 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50193752 CC(CCN1CCC(CC1)N(CC=C)C(=O)OCc1ccccc1)(Cn1c(O)c(Cc2c[nH]c3ccccc23)[nH]c1=O)c1cccc(Cl)c1 InChI=1S/C39H44ClN5O4/c1-3-19-44(38(48)49-26-28-10-5-4-6-11-28)32-16-20-43(21-17-32)22-18-39(2,30-12-9-13-31(40)24-30)27-45-36(46)35(42-37(45)47)23-29-25-41-34-15-8-7-14-33(29)34/h3-15,24-25,32,41,46H,1,16-23,26-27H2,2H3,(H,42,47) TTXCZSKJCTUHND-UHFFFAOYSA-N 50106938 Allyl-(1-{3-(3-chloro-phenyl)-4-[(R)-4-(1H-indol-3-ylmethyl)-2,5-dioxo-imidazolidin-1-yl]-3-methyl-butyl}-piperidin-4-yl)-carbamic acid benzyl ester::CHEMBL107439 C-X-C chemokine receptor type 4 >1000 ChEMBL 10.1016/s0960-894x(01)00654-0 10.7270/Q2KK9B26 11720851 Kim, D; Wang, L; Caldwell, CG; Chen, P; Finke, PE; Oates, B; MacCoss, M; Mills, SG; Malkowitz, L; Gould, SL; DeMartino, JA; Springer, MS; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Carver, G; Carella, A; Holmes, K; Lineberger, J; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50106938 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50106938&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 91931832 104002367 CHEMBL107439 ZINC26840863 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50193764 Oc1c(Cc2c[nH]c3ccccc23)[nH]c(=O)n1CC(CCN1CCC(CC1)N(CC=C)C(=O)OCc1ccccc1)c1ccccc1 InChI=1S/C38H43N5O4/c1-2-20-42(38(46)47-27-28-11-5-3-6-12-28)32-18-22-41(23-19-32)21-17-30(29-13-7-4-8-14-29)26-43-36(44)35(40-37(43)45)24-31-25-39-34-16-10-9-15-33(31)34/h2-16,25,30,32,39,44H,1,17-24,26-27H2,(H,40,45) YLWMNMKULMUPMT-UHFFFAOYSA-N 50106939 Allyl-(1-{4-[(R)-4-(1H-indol-3-ylmethyl)-2,5-dioxo-imidazolidin-1-yl]-3-phenyl-butyl}-piperidin-4-yl)-carbamic acid benzyl ester::CHEMBL104793 C-X-C chemokine receptor type 4 >1000 ChEMBL 10.1016/s0960-894x(01)00654-0 10.7270/Q2KK9B26 11720851 Kim, D; Wang, L; Caldwell, CG; Chen, P; Finke, PE; Oates, B; MacCoss, M; Mills, SG; Malkowitz, L; Gould, SL; DeMartino, JA; Springer, MS; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Carver, G; Carella, A; Holmes, K; Lineberger, J; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50106939 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50106939&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 91931833 104002368 CHEMBL104793 ZINC26834859 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50193767 CC(CCN1CCC(CC1)N(CC=C)C(=O)OCc1ccc(cc1)[N+]([O-])=O)(Cn1cnc2ccccc12)c1ccccc1 InChI=1S/C34H39N5O4/c1-3-20-38(33(40)43-24-27-13-15-30(16-14-27)39(41)42)29-17-21-36(22-18-29)23-19-34(2,28-9-5-4-6-10-28)25-37-26-35-31-11-7-8-12-32(31)37/h3-16,26,29H,1,17-25H2,2H3 ZEZTUVDVWYRRGY-UHFFFAOYSA-N 50106943 Allyl-[1-(4-benzoimidazol-1-yl-3-methyl-3-phenyl-butyl)-piperidin-4-yl]-carbamic acid 4-nitro-benzyl ester::CHEMBL105570 C-X-C chemokine receptor type 4 >1000 ChEMBL 10.1016/s0960-894x(01)00655-2 10.7270/Q2FT8K91 11720852 Kim, D; Wang, L; Caldwell, CG; Chen, P; Finke, PE; Oates, B; MacCoss, M; Mills, SG; Malkowitz, L; Gould, SL; DeMartino, JA; Springer, MS; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Carver, G; Carella, A; Holmes, K; Lineberger, J; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50106943 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50106943&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 483344 104002372 CHEMBL105570 ZINC26831119 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50193768 CCc1nc2ccccc2n1CC(CCN1CCC(CC1)N(CC=C)C(=O)OCc1ccccc1)c1ccccc1 InChI=1S/C35H42N4O2/c1-3-22-38(35(40)41-27-28-13-7-5-8-14-28)31-20-24-37(25-21-31)23-19-30(29-15-9-6-10-16-29)26-39-33-18-12-11-17-32(33)36-34(39)4-2/h3,5-18,30-31H,1,4,19-27H2,2H3 RBVAVRHWTOQOLQ-UHFFFAOYSA-N 50106945 Allyl-{1-[4-(2-ethyl-benzoimidazol-1-yl)-3-phenyl-butyl]-piperidin-4-yl}-carbamic acid benzyl ester::CHEMBL321539 C-X-C chemokine receptor type 4 >1000 ChEMBL 10.1016/s0960-894x(01)00655-2 10.7270/Q2FT8K91 11720852 Kim, D; Wang, L; Caldwell, CG; Chen, P; Finke, PE; Oates, B; MacCoss, M; Mills, SG; Malkowitz, L; Gould, SL; DeMartino, JA; Springer, MS; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Carver, G; Carella, A; Holmes, K; Lineberger, J; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50106945 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50106945&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 483341 104002374 CHEMBL321539 ZINC26838356 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50193773 CCc1nc2ccccc2n1CC(CCN1CCC(CC1)N(CC=C)C(=O)OCc1ccc(cc1)[N+]([O-])=O)c1ccccc1 InChI=1S/C35H41N5O4/c1-3-21-38(35(41)44-26-27-14-16-31(17-15-27)40(42)43)30-19-23-37(24-20-30)22-18-29(28-10-6-5-7-11-28)25-39-33-13-9-8-12-32(33)36-34(39)4-2/h3,5-17,29-30H,1,4,18-26H2,2H3 GJIXUOZRDMDHKV-UHFFFAOYSA-N 50106949 Allyl-{1-[4-(2-ethyl-benzoimidazol-1-yl)-3-phenyl-butyl]-piperidin-4-yl}-carbamic acid 4-nitro-benzyl ester::CHEMBL319622 C-X-C chemokine receptor type 4 >1000 ChEMBL 10.1016/s0960-894x(01)00655-2 10.7270/Q2FT8K91 11720852 Kim, D; Wang, L; Caldwell, CG; Chen, P; Finke, PE; Oates, B; MacCoss, M; Mills, SG; Malkowitz, L; Gould, SL; DeMartino, JA; Springer, MS; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Carver, G; Carella, A; Holmes, K; Lineberger, J; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50106949 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50106949&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 483342 104002378 CHEMBL319622 ZINC26831128 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50193783 CC(CCN1CCC(CC1)N(CC=C)C(=O)OCc1ccccc1)(Cn1cnc2ccccc12)c1ccccc1 InChI=1S/C34H40N4O2/c1-3-21-38(33(39)40-25-28-12-6-4-7-13-28)30-18-22-36(23-19-30)24-20-34(2,29-14-8-5-9-15-29)26-37-27-35-31-16-10-11-17-32(31)37/h3-17,27,30H,1,18-26H2,2H3 BZHHPFLVFONUOE-UHFFFAOYSA-N 50106948 Allyl-[1-(4-benzoimidazol-1-yl-3-methyl-3-phenyl-butyl)-piperidin-4-yl]-carbamic acid benzyl ester::CHEMBL105659 C-X-C chemokine receptor type 4 >1000 ChEMBL 10.1016/s0960-894x(01)00655-2 10.7270/Q2FT8K91 11720852 Kim, D; Wang, L; Caldwell, CG; Chen, P; Finke, PE; Oates, B; MacCoss, M; Mills, SG; Malkowitz, L; Gould, SL; DeMartino, JA; Springer, MS; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Carver, G; Carella, A; Holmes, K; Lineberger, J; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50106948 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50106948&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 483343 104002377 CHEMBL105659 ZINC26832762 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50193801 [O-][N+](=O)c1ccc(COC(=O)N(CC=C)C2CCN(CCC(Cn3cnc4ccccc34)c3ccccc3)CC2)cc1 InChI=1S/C33H37N5O4/c1-2-19-37(33(39)42-24-26-12-14-30(15-13-26)38(40)41)29-17-21-35(22-18-29)20-16-28(27-8-4-3-5-9-27)23-36-25-34-31-10-6-7-11-32(31)36/h2-15,25,28-29H,1,16-24H2 YQWSBFBPYMXNID-UHFFFAOYSA-N 50106952 Allyl-[1-(4-benzoimidazol-1-yl-3-phenyl-butyl)-piperidin-4-yl]-carbamic acid 4-nitro-benzyl ester::CHEMBL106803 C-X-C chemokine receptor type 4 >1000 ChEMBL 10.1016/s0960-894x(01)00655-2 10.7270/Q2FT8K91 11720852 Kim, D; Wang, L; Caldwell, CG; Chen, P; Finke, PE; Oates, B; MacCoss, M; Mills, SG; Malkowitz, L; Gould, SL; DeMartino, JA; Springer, MS; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Carver, G; Carella, A; Holmes, K; Lineberger, J; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50106952 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50106952&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 483340 104002381 CHEMBL106803 ZINC14128287 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50193812 C=CCN(C1CCN(CCC(Cn2cnc3ccccc23)c2ccccc2)CC1)C(=O)OCc1ccccc1 InChI=1S/C33H38N4O2/c1-2-20-37(33(38)39-25-27-11-5-3-6-12-27)30-18-22-35(23-19-30)21-17-29(28-13-7-4-8-14-28)24-36-26-34-31-15-9-10-16-32(31)36/h2-16,26,29-30H,1,17-25H2 LMLXAFRSRSRFFX-UHFFFAOYSA-N 50106947 Allyl-[1-(4-benzoimidazol-1-yl-3-phenyl-butyl)-piperidin-4-yl]-carbamic acid benzyl ester::CHEMBL104474 C-X-C chemokine receptor type 4 >1000 ChEMBL 10.1016/s0960-894x(01)00655-2 10.7270/Q2FT8K91 11720852 Kim, D; Wang, L; Caldwell, CG; Chen, P; Finke, PE; Oates, B; MacCoss, M; Mills, SG; Malkowitz, L; Gould, SL; DeMartino, JA; Springer, MS; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Carver, G; Carella, A; Holmes, K; Lineberger, J; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50106947 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50106947&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 483339 104002376 CHEMBL104474 ZINC26838149 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50203105 C[C@H]1\C=C/[C@@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC[C@H](NC(=O)C(CCCNC(N)=O)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)NC(=O)[C@H](CSCc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCN=C(N)N InChI=1S/C86H141N33O16S3/c1-49-25-30-53(17-5-7-35-87)108-71(125)58(19-6-8-36-88)111-72(126)60(22-12-40-105-84(97)98)114-77(131)64(44-51-28-33-55(121)34-29-51)116-80(134)67(119-78(132)65(46-136-45-52-15-3-2-4-16-52)117-74(128)59(21-11-39-104-83(95)96)110-70(124)56(89)18-9-37-102-81(91)92)48-138-137-47-66(79(133)109-57(68(90)122)20-10-38-103-82(93)94)118-75(129)62(24-14-42-107-86(101)135)112-73(127)61(23-13-41-106-85(99)100)113-76(130)63(115-69(49)123)43-50-26-31-54(120)32-27-50/h2-4,15-16,25-34,49,53,56-67,120-121H,5-14,17-24,35-48,87-89H2,1H3,(H2,90,122)(H,108,125)(H,109,133)(H,110,124)(H,111,126)(H,112,127)(H,113,130)(H,114,131)(H,115,123)(H,116,134)(H,117,128)(H,118,129)(H,119,132)(H4,91,92,102)(H4,93,94,103)(H4,95,96,104)(H4,97,98,105)(H4,99,100,106)(H3,101,107,135)/b30-25-/t49-,53+,56-,57-,58-,59-,60+,61+,62?,63-,64-,65-,66-,67-/m0/s1 SOLFEXMQTCTFFG-CTXYFWSVSA-N 50111972 CHEMBL266632::T140 analogue C-X-C chemokine receptor type 4 36000 ChEMBL 10.1016/s0960-894x(02)00041-0 10.7270/Q24M93TG 11958995 Tamamura, H; Hiramatsu, K; Miyamoto, K; Omagari, A; Oishi, S; Nakashima, H; Yamamoto, N; Kuroda, Y; Nakagawa, T; Otaka, A; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50111972 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50111972&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 91931938 104006494 CHEMBL266632 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50203107 C[C@H]1\C=C/[C@@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC[C@H](NC(=O)C(CCCNC(N)=O)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)NC(=O)[C@H](CSC12C[C@H]3C[C@H](C[C@H](C3)C1)C2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCN=C(N)N InChI=1S/C89H149N33O16S3/c1-49-20-25-55(12-2-4-30-90)111-73(128)60(14-3-5-31-91)114-74(129)62(17-9-35-108-86(100)101)117-79(134)66(42-51-23-28-57(124)29-24-51)119-82(137)69(122-80(135)67(46-139-89-43-52-38-53(44-89)40-54(39-52)45-89)120-76(131)61(16-8-34-107-85(98)99)113-72(127)58(92)13-6-32-105-83(94)95)48-141-140-47-68(81(136)112-59(70(93)125)15-7-33-106-84(96)97)121-77(132)64(19-11-37-110-88(104)138)115-75(130)63(18-10-36-109-87(102)103)116-78(133)65(118-71(49)126)41-50-21-26-56(123)27-22-50/h20-29,49,52-55,58-69,123-124H,2-19,30-48,90-92H2,1H3,(H2,93,125)(H,111,128)(H,112,136)(H,113,127)(H,114,129)(H,115,130)(H,116,133)(H,117,134)(H,118,126)(H,119,137)(H,120,131)(H,121,132)(H,122,135)(H4,94,95,105)(H4,96,97,106)(H4,98,99,107)(H4,100,101,108)(H4,102,103,109)(H3,104,110,138)/b25-20-/t49-,52-,53+,54-,55+,58-,59-,60-,61-,62+,63+,64?,65-,66-,67-,68-,69-,89?/m0/s1 LZMJZQRVEJLEOE-ONLWKQLMSA-N 50111968 CHEMBL439700::T140 analogue C-X-C chemokine receptor type 4 170000 ChEMBL 10.1016/s0960-894x(02)00041-0 10.7270/Q24M93TG 11958995 Tamamura, H; Hiramatsu, K; Miyamoto, K; Omagari, A; Oishi, S; Nakashima, H; Yamamoto, N; Kuroda, Y; Nakagawa, T; Otaka, A; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50111968 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50111968&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 91931934 104006490 CHEMBL439700 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50203112 C[C@H]1\C=C/[C@@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC[C@H](NC(=O)C(CCCNC(N)=O)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCN=C(N)N InChI=1S/C87H140N34O16S2/c1-48-24-29-52(14-4-6-34-88)110-72(127)59(18-5-7-35-89)113-73(128)61(21-11-39-106-85(98)99)116-78(133)65(43-50-27-32-54(123)33-28-50)118-81(136)68(121-79(134)66(44-51-45-109-57-17-3-2-15-55(51)57)119-75(130)60(20-10-38-105-84(96)97)112-71(126)56(90)16-8-36-103-82(92)93)47-139-138-46-67(80(135)111-58(69(91)124)19-9-37-104-83(94)95)120-76(131)63(23-13-41-108-87(102)137)114-74(129)62(22-12-40-107-86(100)101)115-77(132)64(117-70(48)125)42-49-25-30-53(122)31-26-49/h2-3,15,17,24-33,45,48,52,56,58-68,109,122-123H,4-14,16,18-23,34-44,46-47,88-90H2,1H3,(H2,91,124)(H,110,127)(H,111,135)(H,112,126)(H,113,128)(H,114,129)(H,115,132)(H,116,133)(H,117,125)(H,118,136)(H,119,130)(H,120,131)(H,121,134)(H4,92,93,103)(H4,94,95,104)(H4,96,97,105)(H4,98,99,106)(H4,100,101,107)(H3,102,108,137)/b29-24-/t48-,52+,56-,58-,59-,60-,61+,62+,63?,64-,65-,66-,67-,68-/m0/s1 YMFZFWOWUFQXAV-IZCDMIGXSA-N 50111973 CHEMBL440998::cyclic pseudopeptide Analogue C-X-C chemokine receptor type 4 5000 ChEMBL 10.1016/s0960-894x(02)00041-0 10.7270/Q24M93TG 11958995 Tamamura, H; Hiramatsu, K; Miyamoto, K; Omagari, A; Oishi, S; Nakashima, H; Yamamoto, N; Kuroda, Y; Nakagawa, T; Otaka, A; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50111973 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50111973&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 91931939 104006495 CHEMBL440998 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50275625 CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O InChI=1S/C91H138N34O21S2/c1-48(126)112-57(18-6-36-106-86(95)96)72(132)114-61(21-9-39-109-89(101)102)76(136)121-66(45-52-15-4-14-51-13-2-3-16-55(51)52)80(140)124-68-47-148-147-46-67(81(141)113-56(71(92)131)17-5-35-105-85(93)94)123-77(137)62(23-11-41-111-91(104)146)116-73(133)58(19-7-37-107-87(97)98)118-79(139)65(44-50-27-31-54(128)32-28-50)122-83(143)69-24-12-42-125(69)84(144)63(33-34-70(129)130)119-75(135)60(20-8-38-108-88(99)100)115-74(134)59(22-10-40-110-90(103)145)117-78(138)64(120-82(68)142)43-49-25-29-53(127)30-26-49/h2-4,13-16,25-32,56-69,127-128H,5-12,17-24,33-47H2,1H3,(H2,92,131)(H,112,126)(H,113,141)(H,114,132)(H,115,134)(H,116,133)(H,117,138)(H,118,139)(H,119,135)(H,120,142)(H,121,136)(H,122,143)(H,123,137)(H,124,140)(H,129,130)(H4,93,94,105)(H4,95,96,106)(H4,97,98,107)(H4,99,100,108)(H4,101,102,109)(H3,103,110,145)(H3,104,111,146)/t56-,57-,58-,59-,60-,61-,62-,63+,64-,65-,66-,67-,68-,69-/m0/s1 KQDMVCXJBHOANX-LNDHEDFZSA-N 50048414 CHEMBL3360195 C-X-C chemokine receptor type 4 6.7 ChEMBL 10.1021/jm401823z 10.7270/Q2NC62T5 24983484 Ma, Z; Du, L; Li, M Shandong University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50048414 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50048414&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 118724117 103978879 CHEMBL3360195 ZINC04217391 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50275626 CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)N[C@H]1CSSC[C@H](NC(=O)C(CCCNC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)C(CCCNC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O InChI=1S/C92H143N35O19S2/c1-50(128)114-59(21-8-38-108-87(97)98)73(132)116-63(24-11-41-111-90(103)104)77(136)123-68(47-54-17-6-16-53-15-2-3-18-57(53)54)81(140)126-70-49-148-147-48-69(82(141)115-58(72(94)131)20-7-37-107-86(95)96)125-78(137)64(26-13-43-113-92(106)146)118-74(133)60(22-9-39-109-88(99)100)120-80(139)67(46-52-30-34-56(130)35-31-52)124-84(143)71-27-14-44-127(71)85(144)65(19-4-5-36-93)121-76(135)62(23-10-40-110-89(101)102)117-75(134)61(25-12-42-112-91(105)145)119-79(138)66(122-83(70)142)45-51-28-32-55(129)33-29-51/h2-3,6,15-18,28-35,58-71,129-130H,4-5,7-14,19-27,36-49,93H2,1H3,(H2,94,131)(H,114,128)(H,115,141)(H,116,132)(H,117,134)(H,118,133)(H,119,138)(H,120,139)(H,121,135)(H,122,142)(H,123,136)(H,124,143)(H,125,137)(H,126,140)(H4,95,96,107)(H4,97,98,108)(H4,99,100,109)(H4,101,102,110)(H4,103,104,111)(H3,105,112,145)(H3,106,113,146)/t58-,59-,60-,61?,62-,63-,64?,65+,66-,67-,68-,69-,70-,71-/m0/s1 NLCWRFLRGPGORN-IHRILNMWSA-N 50048415 CHEMBL3360194 C-X-C chemokine receptor type 4 5.2 ChEMBL 10.1021/jm401823z 10.7270/Q2NC62T5 24983484 Ma, Z; Du, L; Li, M Shandong University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50048415 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50048415&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 118724116 103978880 CHEMBL3360194 ZINC13745685 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50292417 NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O InChI=1S/C35H45N11O6/c36-33(37)40-15-3-7-25-29(48)42-26(8-4-16-41-34(38)39)30(49)44-27(19-21-9-12-22-5-1-2-6-23(22)17-21)32(51)46-35(52)45-28(31(50)43-25)18-20-10-13-24(47)14-11-20/h1-2,5-6,9-14,17,25-28,47H,3-4,7-8,15-16,18-19H2,(H,42,48)(H,43,50)(H,44,49)(H4,36,37,40)(H4,38,39,41)(H2,45,46,51,52)/t25-,26-,27-,28+/m0/s1 DBPMDANUVDFSJH-LAJGZZDBSA-N 50159213 CHEMBL370001::N-{3-[10-(3-Guanidino-propyl)-4-(4-hydroxy-benzyl)-13-naphthalen-2-ylmethyl-2,5,8,11,14-pentaoxo-1,3,6,9,12pentaaza-cyclotetradec-7-yl]-propyl}-guanidine::N-{3-[5-(3-Guanidino-propyl)-11-(4-hydroxy-benzyl)-2-naphthalen-2-ylmethyl-4,7,10,13,14-pentaoxo-1,3,6,9,12pentaaza-cyclotetradec-8-yl]-propyl}-guanidine C-X-C chemokine receptor type 4 4.5 ChEMBL 10.1021/jm049429h 10.7270/Q27S7N98 15658852 Tamamura, H; Hiramatsu, K; Ueda, S; Wang, Z; Kusano, S; Terakubo, S; Trent, JO; Peiper, SC; Yamamoto, N; Nakashima, H; Otaka, A; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50159213 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50159213&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 44400758 104045796 CHEMBL370001 ZINC28521126 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50292421 NC(=N)NCCC[C@H]1CN[C@@H](Cc2ccc3ccccc3c2)C(=O)NC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1 InChI=1S/C35H47N11O5/c36-33(37)40-15-3-7-25-20-42-28(19-22-9-12-23-5-1-2-6-24(23)17-22)31(49)46-35(51)45-29(18-21-10-13-26(47)14-11-21)32(50)44-27(30(48)43-25)8-4-16-41-34(38)39/h1-2,5-6,9-14,17,25,27-29,42,47H,3-4,7-8,15-16,18-20H2,(H,43,48)(H,44,50)(H4,36,37,40)(H4,38,39,41)(H2,45,46,49,51)/t25-,27-,28-,29+/m0/s1 JKANIVVWNSCSKL-RDPOUHODSA-N 50159211 CHEMBL192290::N-{3-[2-(3-Guanidino-propyl)-8-(4-hydroxy-benzyl)-13-naphthalen-2-ylmethyl-4,7,10,11-tetraoxo-1,3,6,9,12pentaaza-cyclotetradec-5-yl]-propyl}-guanidine C-X-C chemokine receptor type 4 >100000 ChEMBL 10.1021/jm049429h 10.7270/Q27S7N98 15658852 Tamamura, H; Hiramatsu, K; Ueda, S; Wang, Z; Kusano, S; Terakubo, S; Trent, JO; Peiper, SC; Yamamoto, N; Nakashima, H; Otaka, A; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50159211 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50159211&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 44400868 104045794 CHEMBL192290 ZINC28477325 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50292423 COc1ccc(C[C@H]2NC(=O)[C@@H]3CCCN3C(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CSSC[C@@H](NC(=O)[C@@H](CCCNC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(=O)N[C@H](CCCNC(N)=N)C(O)=O)NC(=O)[C@@H](C)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](N)CCCN=C(N)N)cc1 InChI=1S/C81H137N33O18S2/c1-44(102-64(118)51(17-8-34-97-77(87)88)103-63(117)49(84)14-7-33-96-76(85)86)62(116)112-59-42-133-134-43-60(71(125)109-56(75(129)130)21-12-37-100-80(93)94)113-68(122)54(20-11-38-101-81(95)131)105-66(120)53(19-10-36-99-79(91)92)107-70(124)58(41-46-25-29-48(132-2)30-26-46)111-73(127)61-22-13-39-114(61)74(128)55(16-4-6-32-83)108-67(121)50(15-3-5-31-82)104-65(119)52(18-9-35-98-78(89)90)106-69(123)57(110-72(59)126)40-45-23-27-47(115)28-24-45/h23-30,44,49-61,115H,3-22,31-43,82-84H2,1-2H3,(H,102,118)(H,103,117)(H,104,119)(H,105,120)(H,106,123)(H,107,124)(H,108,121)(H,109,125)(H,110,126)(H,111,127)(H,112,116)(H,113,122)(H,129,130)(H4,85,86,96)(H4,87,88,97)(H4,89,90,98)(H4,91,92,99)(H4,93,94,100)(H3,95,101,131)/t44-,49-,50+,51-,52-,53+,54-,55-,56-,57+,58-,59+,60-,61+/m1/s1 WPTNAXMZUUPJAA-RHUPPTLMSA-N 50159214 CHEMBL438934 C-X-C chemokine receptor type 4 3.9 ChEMBL 10.1021/jm049429h 10.7270/Q27S7N98 15658852 Tamamura, H; Hiramatsu, K; Ueda, S; Wang, Z; Kusano, S; Terakubo, S; Trent, JO; Peiper, SC; Yamamoto, N; Nakashima, H; Otaka, A; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50159214 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50159214&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 91933251 104045797 CHEMBL438934 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50306449 NC(=N)NCCC[C@@H]1NC(=O)[C@H](CC\C=C/CC[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O)C(N)=O)NC(=O)CCNC(N)=N InChI=1S/C33H47N11O5/c34-28(46)23-10-3-1-2-4-11-24(41-27(45)15-17-40-33(37)38)29(47)43-25(12-7-16-39-32(35)36)30(48)44-26(31(49)42-23)19-20-13-14-21-8-5-6-9-22(21)18-20/h1-2,5-6,8-9,13-14,18,23-26H,3-4,7,10-12,15-17,19H2,(H2,34,46)(H,41,45)(H,42,49)(H,43,47)(H,44,48)(H4,35,36,39)(H4,37,38,40)/b2-1-/t23-,24+,25+,26+/m1/s1 DUEUAZXNNMLCAF-QNEOFRRRSA-N 50166078 (Z)-(2S,5S,8R,15S)-15-(3-Guanidino-propionylamino)-2-(3-guanidino-propyl)-5-naphthalen-2-ylmethyl-3,6,16-trioxo-1,4,7triaza-cyclohexadec-11-ene-8-carboxylic acid amide::CHEMBL191949 C-X-C chemokine receptor type 4 10000 ChEMBL 10.1021/jm050009h 10.7270/Q24X5790 15857134 Tamamura, H; Araki, T; Ueda, S; Wang, Z; Oishi, S; Esaka, A; Trent, JO; Nakashima, H; Yamamoto, N; Peiper, SC; Otaka, A; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50166078 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50166078&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 44400178 104051486 CHEMBL191949 ZINC28477870 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50306450 NC(=N)NCCC[C@@H]1NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O)N=C(N)N InChI=1S/C36H45N11O6/c37-35(38)41-13-3-6-26-32(51)46-27(16-21-7-10-22-4-1-2-5-23(22)14-21)31(50)42-18-30(49)44-28(15-20-8-11-25(48)12-9-20)34(53)47-19-24(43-36(39)40)17-29(47)33(52)45-26/h1-2,4-5,7-12,14,24,26-29,48H,3,6,13,15-19H2,(H,42,50)(H,44,49)(H,45,52)(H,46,51)(H4,37,38,41)(H4,39,40,43)/t24-,26+,27+,28-,29+/m1/s1 LJEYFXLNHZFXCI-ZHIRGERTSA-N 50166079 CHEMBL192183::N-[(2R,5R,11S,14S,16aS)-14-(3-Guanidino-propyl)-5-(4-hydroxy-benzyl)-11-naphthalen-2-ylmethyl-4,7,10,13,16-pentaoxo-hexadecahydro-3a,6,9,12,15-pentaaza-cyclopentacyclopentadecen-2-yl]-guanidine C-X-C chemokine receptor type 4 10 ChEMBL 10.1021/jm050009h 10.7270/Q24X5790 15857134 Tamamura, H; Araki, T; Ueda, S; Wang, Z; Oishi, S; Esaka, A; Trent, JO; Nakashima, H; Yamamoto, N; Peiper, SC; Otaka, A; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50166079 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50166079&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 5278969 104051487 CHEMBL192183 ZINC28477024 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50306451 NC(=N)NCCCN[C@H]1CSSC[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O InChI=1S/C29H43N11O4S2/c30-24(41)22-15-45-46-16-23(35-11-4-12-37-29(33)34)27(44)38-20(7-3-10-36-28(31)32)25(42)39-21(26(43)40-22)14-17-8-9-18-5-1-2-6-19(18)13-17/h1-2,5-6,8-9,13,20-23,35H,3-4,7,10-12,14-16H2,(H2,30,41)(H,38,44)(H,39,42)(H,40,43)(H4,31,32,36)(H4,33,34,37)/t20-,21-,22+,23-/m0/s1 PDAUJFCNDYTSNI-GPJHCHHRSA-N 50166081 (4S,7S,10S,13R)-10-(3-Guanidino-propyl)-13-(3-guanidino-propylamino)-7-naphthalen-2-ylmethyl-6,9,12-trioxo-1,2-dithia-5,8,11-triaza-cyclotetradecane-4-carboxylic acid amide::CHEMBL408062 C-X-C chemokine receptor type 4 1000 ChEMBL 10.1021/jm050009h 10.7270/Q24X5790 15857134 Tamamura, H; Araki, T; Ueda, S; Wang, Z; Oishi, S; Esaka, A; Trent, JO; Nakashima, H; Yamamoto, N; Peiper, SC; Otaka, A; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50166081 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50166081&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 5278944 104051489 CHEMBL408062 ZINC28477578 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50306452 NC(=N)NCCCC[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O InChI=1S/C37H49N11O6/c38-36(39)42-16-4-3-8-27-33(52)46-28(9-5-17-43-37(40)41)34(53)48-29(20-23-10-13-24-6-1-2-7-25(24)18-23)32(51)44-21-31(50)45-30(35(54)47-27)19-22-11-14-26(49)15-12-22/h1-2,6-7,10-15,18,27-30,49H,3-5,8-9,16-17,19-21H2,(H,44,51)(H,45,50)(H,46,52)(H,47,54)(H,48,53)(H4,38,39,42)(H4,40,41,43)/t27-,28-,29-,30+/m0/s1 MXKBENUBDBSYCW-GCXHJFECSA-N 50166080 CHEMBL192368::N-{4-[(2S,5S,8S,14R)-5-(3-Guanidino-propyl)-14-(4-hydroxy-benzyl)-8-naphthalen-2-ylmethyl-3,6,9,12,15-pentaoxo-1,4,7,10,13pentaaza-cyclopentadec-2-yl]-butyl}-guanidine C-X-C chemokine receptor type 4 33 ChEMBL 10.1021/jm050009h 10.7270/Q24X5790 15857134 Tamamura, H; Araki, T; Ueda, S; Wang, Z; Oishi, S; Esaka, A; Trent, JO; Nakashima, H; Yamamoto, N; Peiper, SC; Otaka, A; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50166080 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50166080&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 5278965 104051488 CHEMBL192368 ZINC28477675 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50306453 NC(=N)NCCC[C@@H]1NC(=O)[C@H](CC=CC[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O)C(=O)NCCc1ccc(O)cc1)NC(=O)CCNC(N)=N InChI=1S/C39H51N11O6/c40-38(41)45-19-5-10-31-36(55)50-32(23-25-11-14-26-6-1-2-7-27(26)22-25)37(56)48-29(34(53)44-20-17-24-12-15-28(51)16-13-24)8-3-4-9-30(35(54)49-31)47-33(52)18-21-46-39(42)43/h1-4,6-7,11-16,22,29-32,51H,5,8-10,17-21,23H2,(H,44,53)(H,47,52)(H,48,56)(H,49,54)(H,50,55)(H4,40,41,45)(H4,42,43,46)/t29-,30+,31+,32+/m1/s1 GXMNBZLCXQFXET-ZLESDFJESA-N 50166082 (Z)-(2S,5S,8R,13S)-13-(3-Guanidino-propionylamino)-2-(3-guanidino-propyl)-5-naphthalen-2-ylmethyl-3,6,14-trioxo-1,4,7triaza-cyclotetradec-10-ene-8-carboxylic acid [2-(4-hydroxy-phenyl)-ethyl]-amide::CHEMBL191998 C-X-C chemokine receptor type 4 10000 ChEMBL 10.1021/jm050009h 10.7270/Q24X5790 15857134 Tamamura, H; Araki, T; Ueda, S; Wang, Z; Oishi, S; Esaka, A; Trent, JO; Nakashima, H; Yamamoto, N; Peiper, SC; Otaka, A; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50166082 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50166082&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 44400179 104051490 CHEMBL191998 ZINC95606682 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50306454 NC(=N)NCCC[C@H]1NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CC[C@@H](Cc2ccc3ccccc3c2)NC1=O InChI=1S/C36H48N10O5/c37-35(38)41-17-3-7-28-32(49)43-26(20-23-9-12-24-5-1-2-6-25(24)19-23)13-16-31(48)44-30(21-22-10-14-27(47)15-11-22)34(51)46-29(33(50)45-28)8-4-18-42-36(39)40/h1-2,5-6,9-12,14-15,19,26,28-30,47H,3-4,7-8,13,16-18,20-21H2,(H,43,49)(H,44,48)(H,45,50)(H,46,51)(H4,37,38,41)(H4,39,40,42)/t26-,28+,29+,30-/m0/s1 MMACXAIBJOUIOH-XQVPNCLKSA-N 50166083 CHEMBL191869::N-{3-[(3R,6R,9S,14S)-6-(3-Guanidino-propyl)-9-(4-hydroxy-benzyl)-14-naphthalen-2-ylmethyl-2,5,8,11-tetraoxo-1,4,7,10tetraaza-cyclotetradec-3-yl]-propyl}-guanidine C-X-C chemokine receptor type 4 >1000 ChEMBL 10.1021/jm050009h 10.7270/Q24X5790 15857134 Tamamura, H; Araki, T; Ueda, S; Wang, Z; Oishi, S; Esaka, A; Trent, JO; Nakashima, H; Yamamoto, N; Peiper, SC; Otaka, A; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50166083 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50166083&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 44400299 104051491 CHEMBL191869 ZINC28476539 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50306455 NC(=N)NCCC[C@H]1NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)\C=C/[C@@H](Cc2ccc3ccccc3c2)NC1=O InChI=1S/C36H46N10O5/c37-35(38)41-17-3-7-28-32(49)43-26(20-23-9-12-24-5-1-2-6-25(24)19-23)13-16-31(48)44-30(21-22-10-14-27(47)15-11-22)34(51)46-29(33(50)45-28)8-4-18-42-36(39)40/h1-2,5-6,9-16,19,26,28-30,47H,3-4,7-8,17-18,20-21H2,(H,43,49)(H,44,48)(H,45,50)(H,46,51)(H4,37,38,41)(H4,39,40,42)/b16-13-/t26-,28+,29+,30-/m0/s1 HNDKSLSVZSSSIT-MVWMGFIASA-N 50166084 CHEMBL414380::N-{3-[(Z)-(3R,6R,9S,14R)-6-(3-Guanidino-propyl)-9-(4-hydroxy-benzyl)-14-naphthalen-2-ylmethyl-2,5,8,11-tetraoxo-1,4,7,10tetraaza-cyclotetradec-12-en-3-yl]-propyl}-guanidine C-X-C chemokine receptor type 4 >1000 ChEMBL 10.1021/jm050009h 10.7270/Q24X5790 15857134 Tamamura, H; Araki, T; Ueda, S; Wang, Z; Oishi, S; Esaka, A; Trent, JO; Nakashima, H; Yamamoto, N; Peiper, SC; Otaka, A; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50166084 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50166084&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 44400301 104051492 CHEMBL414380 ZINC28474944 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50306456 CN1[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@H](CSSC[C@H](NC(=O)CCNC(N)=N)C1=O)C(=O)NCCc1ccc(O)cc1 InChI=1S/C38H51N11O6S2/c1-49-31(7-4-16-44-37(39)40)35(54)47-28(20-24-8-11-25-5-2-3-6-26(25)19-24)34(53)48-29(33(52)43-17-14-23-9-12-27(50)13-10-23)21-56-57-22-30(36(49)55)46-32(51)15-18-45-38(41)42/h2-3,5-6,8-13,19,28-31,50H,4,7,14-18,20-22H2,1H3,(H,43,52)(H,46,51)(H,47,54)(H,48,53)(H4,39,40,44)(H4,41,42,45)/t28-,29+,30-,31-/m0/s1 MARRJEHZNHPBTI-JVVMDBNWSA-N 50166085 (4S,7S,10S,13R)-13-(3-Guanidino-propionylamino)-10-(3-guanidino-propyl)-11-methyl-7-naphthalen-2-ylmethyl-6,9,12-trioxo-1,2-dithia-5,8,11-triaza-cyclotetradecane-4-carboxylic acid [2-(4-hydroxy-phenyl)-ethyl]-amide::CHEMBL192988 C-X-C chemokine receptor type 4 >10000 ChEMBL 10.1021/jm050009h 10.7270/Q24X5790 15857134 Tamamura, H; Araki, T; Ueda, S; Wang, Z; Oishi, S; Esaka, A; Trent, JO; Nakashima, H; Yamamoto, N; Peiper, SC; Otaka, A; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50166085 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50166085&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 5278948 104051493 CHEMBL192988 ZINC95606700 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50306457 NCCCC1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O InChI=1S/C35H45N9O6/c36-15-3-7-26-32(48)42-27(8-4-16-39-35(37)38)33(49)44-28(19-22-9-12-23-5-1-2-6-24(23)17-22)31(47)40-20-30(46)41-29(34(50)43-26)18-21-10-13-25(45)14-11-21/h1-2,5-6,9-14,17,26-29,45H,3-4,7-8,15-16,18-20,36H2,(H,40,47)(H,41,46)(H,42,48)(H,43,50)(H,44,49)(H4,37,38,39)/t26?,27-,28-,29+/m0/s1 ZLTWSKRUWSCNKB-XYRQFGDDSA-N 50166086 CHEMBL192594::N-{3-[(2S,5S,11R)-14-(3-Amino-propyl)-11-(4-hydroxy-benzyl)-5-naphthalen-2-ylmethyl-3,6,9,12,15-pentaoxo-1,4,7,10,13pentaaza-cyclopentadec-2-yl]-propyl}-guanidine C-X-C chemokine receptor type 4 19 ChEMBL 10.1021/jm050009h 10.7270/Q24X5790 15857134 Tamamura, H; Araki, T; Ueda, S; Wang, Z; Oishi, S; Esaka, A; Trent, JO; Nakashima, H; Yamamoto, N; Peiper, SC; Otaka, A; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50166086 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50166086&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 44400239 104051494 CHEMBL192594 ZINC28475609 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50306458 NC(=N)NCCC[C@@H]1NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O InChI=1S/C36H47N11O6/c37-35(38)41-15-3-7-26-32(51)45-27(8-4-16-42-36(39)40)33(52)47-28(19-22-9-12-23-5-1-2-6-24(23)17-22)31(50)43-20-30(49)44-29(34(53)46-26)18-21-10-13-25(48)14-11-21/h1-2,5-6,9-14,17,26-29,48H,3-4,7-8,15-16,18-20H2,(H,43,50)(H,44,49)(H,45,51)(H,46,53)(H,47,52)(H4,37,38,41)(H4,39,40,42)/t26-,27+,28+,29-/m1/s1 MBXBICVKLVYNKD-GIFPIDKJSA-N 50166087 CHEMBL436097::N-{3-[(2R,5S,8S,14R)-5-(3-Guanidino-propyl)-14-(4-hydroxy-benzyl)-8-naphthalen-2-ylmethyl-3,6,9,12,15-pentaoxo-1,4,7,10,13pentaaza-cyclopentadec-2-yl]-propyl}-guanidine C-X-C chemokine receptor type 4 4.3 ChEMBL 10.1021/jm050009h 10.7270/Q24X5790 15857134 Tamamura, H; Araki, T; Ueda, S; Wang, Z; Oishi, S; Esaka, A; Trent, JO; Nakashima, H; Yamamoto, N; Peiper, SC; Otaka, A; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50166087 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50166087&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 5278953 104051495 CHEMBL436097 ZINC28477171 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50306459 NC(=N)NCCC[C@H]1NC(=O)[C@@H](CSSC[C@H](NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC1=O)C(N)=O)NC(=O)CCNC(N)=N InChI=1S/C29H41N11O5S2/c30-24(42)21-14-46-47-15-22(37-23(41)9-11-36-29(33)34)27(45)38-19(6-3-10-35-28(31)32)25(43)39-20(26(44)40-21)13-16-7-8-17-4-1-2-5-18(17)12-16/h1-2,4-5,7-8,12,19-22H,3,6,9-11,13-15H2,(H2,30,42)(H,37,41)(H,38,45)(H,39,43)(H,40,44)(H4,31,32,35)(H4,33,34,36)/t19-,20-,21+,22-/m1/s1 OCJGKWVBYGMGLC-YUMYIRISSA-N 50166090 (R)-13-(3-Guanidino-propionylamino)-10-(3-guanidino-propyl)-7-((S)-(R)-1-naphthalen-2-ylmethyl)-6,9-dioxo-12-(R)-oxo-1,2-dithia-5,8,11-triaza-cyclotetradecane-4-carboxylic acid amide::CHEMBL192913 C-X-C chemokine receptor type 4 690.0 ChEMBL 10.1021/jm050009h 10.7270/Q24X5790 15857134 Tamamura, H; Araki, T; Ueda, S; Wang, Z; Oishi, S; Esaka, A; Trent, JO; Nakashima, H; Yamamoto, N; Peiper, SC; Otaka, A; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50166090 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50166090&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 11411355 104051498 CHEMBL192913 ZINC28474947 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50306460 NC(=N)NCCCN[C@H]1CSSC[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)NCCc1ccc(O)cc1 InChI=1S/C37H51N11O5S2/c38-36(39)44-15-3-7-28-33(51)47-29(20-24-8-11-25-5-1-2-6-26(25)19-24)34(52)48-31(32(50)43-18-14-23-9-12-27(49)13-10-23)22-55-54-21-30(35(53)46-28)42-16-4-17-45-37(40)41/h1-2,5-6,8-13,19,28-31,42,49H,3-4,7,14-18,20-22H2,(H,43,50)(H,46,53)(H,47,51)(H,48,52)(H4,38,39,44)(H4,40,41,45)/t28-,29-,30-,31+/m0/s1 IQSJJMLXLNCKSX-XHPANXIASA-N 50166089 (4S,7S,10S,13R)-10-(3-Guanidino-propyl)-13-(3-guanidino-propylamino)-7-naphthalen-2-ylmethyl-6,9,12-trioxo-1,2-dithia-5,8,11-triaza-cyclotetradecane-4-carboxylic acid [2-(4-hydroxy-phenyl)-ethyl]-amide::CHEMBL436083 C-X-C chemokine receptor type 4 1000 ChEMBL 10.1021/jm050009h 10.7270/Q24X5790 15857134 Tamamura, H; Araki, T; Ueda, S; Wang, Z; Oishi, S; Esaka, A; Trent, JO; Nakashima, H; Yamamoto, N; Peiper, SC; Otaka, A; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50166089 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50166089&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 5278946 104051497 CHEMBL436083 ZINC95614612 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50306461 C[C@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O InChI=1S/C33H40N8O6/c1-19-29(44)40-25(7-4-14-36-33(34)35)31(46)41-26(17-21-8-11-22-5-2-3-6-23(22)15-21)30(45)37-18-28(43)39-27(32(47)38-19)16-20-9-12-24(42)13-10-20/h2-3,5-6,8-13,15,19,25-27,42H,4,7,14,16-18H2,1H3,(H,37,45)(H,38,47)(H,39,43)(H,40,44)(H,41,46)(H4,34,35,36)/t19-,25+,26+,27-/m1/s1 ZLADCKHHHMLAMG-YFYVCGBBSA-N 50166088 CHEMBL191687::N-{3-[(2S,5S,11R,14R)-11-(4-Hydroxy-benzyl)-14-methyl-5-naphthalen-2-ylmethyl-3,6,9,12,15-pentaoxo-1,4,7,10,13pentaaza-cyclopentadec-2-yl]-propyl}-guanidine C-X-C chemokine receptor type 4 63 ChEMBL 10.1021/jm050009h 10.7270/Q24X5790 15857134 Tamamura, H; Araki, T; Ueda, S; Wang, Z; Oishi, S; Esaka, A; Trent, JO; Nakashima, H; Yamamoto, N; Peiper, SC; Otaka, A; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50166088 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50166088&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 5278957 104051496 CHEMBL191687 ZINC28476198 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50306462 NC(=N)NCCC[C@@H]1NC(=O)[C@H](CSSC[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O)C(=O)NCCc1ccc(O)cc1)NC(=O)CCNC(N)=N InChI=1S/C37H49N11O6S2/c38-36(39)43-15-3-6-27-33(52)47-28(19-23-7-10-24-4-1-2-5-25(24)18-23)34(53)48-29(32(51)42-16-13-22-8-11-26(49)12-9-22)20-55-56-21-30(35(54)46-27)45-31(50)14-17-44-37(40)41/h1-2,4-5,7-12,18,27-30,49H,3,6,13-17,19-21H2,(H,42,51)(H,45,50)(H,46,54)(H,47,52)(H,48,53)(H4,38,39,43)(H4,40,41,44)/t27-,28-,29+,30-/m0/s1 DYXVNDRFWPHOLI-ZXYZSCNASA-N 50166091 (4S,7S,10S,13R)-13-(3-Guanidino-propionylamino)-10-(3-guanidino-propyl)-7-naphthalen-2-ylmethyl-6,9,12-trioxo-1,2-dithia-5,8,11-triaza-cyclotetradecane-4-carboxylic acid [2-(4-hydroxy-phenyl)-ethyl]-amide::CHEMBL191639 C-X-C chemokine receptor type 4 530 ChEMBL 10.1021/jm050009h 10.7270/Q24X5790 15857134 Tamamura, H; Araki, T; Ueda, S; Wang, Z; Oishi, S; Esaka, A; Trent, JO; Nakashima, H; Yamamoto, N; Peiper, SC; Otaka, A; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50166091 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50166091&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 5278945 104051499 CHEMBL191639 ZINC95606685 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50306463 NC(=O)C[C@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O InChI=1S/C34H41N9O7/c35-28(45)17-27-33(50)41-24(6-3-13-38-34(36)37)31(48)42-25(16-20-7-10-21-4-1-2-5-22(21)14-20)30(47)39-18-29(46)40-26(32(49)43-27)15-19-8-11-23(44)12-9-19/h1-2,4-5,7-12,14,24-27,44H,3,6,13,15-18H2,(H2,35,45)(H,39,47)(H,40,46)(H,41,50)(H,42,48)(H,43,49)(H4,36,37,38)/t24-,25-,26+,27+/m0/s1 KQODWMUBYGJESZ-GWMMUDDPSA-N 50166092 2-[(2R,5S,8S,14R)-5-(3-Guanidino-propyl)-14-(4-hydroxy-benzyl)-8-naphthalen-2-ylmethyl-3,6,9,12,15-pentaoxo-1,4,7,10,13pentaaza-cyclopentadec-2-yl]-acetamide::CHEMBL426635 C-X-C chemokine receptor type 4 270 ChEMBL 10.1021/jm050009h 10.7270/Q24X5790 15857134 Tamamura, H; Araki, T; Ueda, S; Wang, Z; Oishi, S; Esaka, A; Trent, JO; Nakashima, H; Yamamoto, N; Peiper, SC; Otaka, A; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50166092 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50166092&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 44400262 104051500 CHEMBL426635 ZINC28477678 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50306464 CN1[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@H](CSSC[C@H](NC(=O)CCNC(N)=N)C1=O)C(N)=O InChI=1S/C30H43N11O5S2/c1-41-23(7-4-11-36-29(32)33)27(45)39-20(14-17-8-9-18-5-2-3-6-19(18)13-17)26(44)40-21(25(31)43)15-47-48-16-22(28(41)46)38-24(42)10-12-37-30(34)35/h2-3,5-6,8-9,13,20-23H,4,7,10-12,14-16H2,1H3,(H2,31,43)(H,38,42)(H,39,45)(H,40,44)(H4,32,33,36)(H4,34,35,37)/t20-,21+,22-,23-/m0/s1 UOIKQEBGRQPUMW-BJESRGMDSA-N 50166095 (4S,7S,10S,13R)-13-(3-Guanidino-propionylamino)-10-(3-guanidino-propyl)-11-methyl-7-naphthalen-2-ylmethyl-6,9,12-trioxo-1,2-dithia-5,8,11-triaza-cyclotetradecane-4-carboxylic acid amide::CHEMBL193204 C-X-C chemokine receptor type 4 >10000 ChEMBL 10.1021/jm050009h 10.7270/Q24X5790 15857134 Tamamura, H; Araki, T; Ueda, S; Wang, Z; Oishi, S; Esaka, A; Trent, JO; Nakashima, H; Yamamoto, N; Peiper, SC; Otaka, A; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50166095 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50166095&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 5278947 104051503 CHEMBL193204 ZINC28475536 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50306465 NC(=N)NCCC[C@@H]1NC(=O)[C@@H]2C[C@@H](CN2C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O)N=C(N)N InChI=1S/C36H45N11O6/c37-35(38)41-13-3-6-26-32(51)46-27(16-21-7-10-22-4-1-2-5-23(22)14-21)31(50)42-18-30(49)44-28(15-20-8-11-25(48)12-9-20)34(53)47-19-24(43-36(39)40)17-29(47)33(52)45-26/h1-2,4-5,7-12,14,24,26-29,48H,3,6,13,15-19H2,(H,42,50)(H,44,49)(H,45,52)(H,46,51)(H4,37,38,41)(H4,39,40,43)/t24-,26-,27-,28+,29-/m0/s1 LJEYFXLNHZFXCI-WJCXGNHWSA-N 50166096 CHEMBL372874::N-[(2S,5R,11S,14S,16aS)-14-(3-Guanidino-propyl)-5-(4-hydroxy-benzyl)-11-naphthalen-2-ylmethyl-4,7,10,13,16-pentaoxo-hexadecahydro-3a,6,9,12,15-pentaaza-cyclopentacyclopentadecen-2-yl]-guanidine C-X-C chemokine receptor type 4 9.9 ChEMBL 10.1021/jm050009h 10.7270/Q24X5790 15857134 Tamamura, H; Araki, T; Ueda, S; Wang, Z; Oishi, S; Esaka, A; Trent, JO; Nakashima, H; Yamamoto, N; Peiper, SC; Otaka, A; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50166096 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50166096&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 5278970 104051504 CHEMBL372874 ZINC28520790 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50306466 C[C@@H]1N(C)C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O InChI=1S/C34H42N8O6/c1-20-30(45)40-26(8-5-15-37-34(35)36)32(47)41-27(18-22-9-12-23-6-3-4-7-24(23)16-22)31(46)38-19-29(44)39-28(33(48)42(20)2)17-21-10-13-25(43)14-11-21/h3-4,6-7,9-14,16,20,26-28,43H,5,8,15,17-19H2,1-2H3,(H,38,46)(H,39,44)(H,40,45)(H,41,47)(H4,35,36,37)/t20-,26-,27-,28+/m0/s1 DOIPLWFMCRABRU-QGQKXLEHSA-N 50166094 CHEMBL373155::N-{3-[(2S,5S,11R,14S)-11-(4-Hydroxy-benzyl)-13,14-dimethyl-5-naphthalen-2-ylmethyl-3,6,9,12,15-pentaoxo-1,4,7,10,13pentaaza-cyclopentadec-2-yl]-propyl}-guanidine C-X-C chemokine receptor type 4 42 ChEMBL 10.1021/jm050009h 10.7270/Q24X5790 15857134 Tamamura, H; Araki, T; Ueda, S; Wang, Z; Oishi, S; Esaka, A; Trent, JO; Nakashima, H; Yamamoto, N; Peiper, SC; Otaka, A; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50166094 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50166094&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 5278960 104051502 CHEMBL373155 ZINC28475998 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50306467 NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCNC(N)=N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O InChI=1S/C35H45N11O6/c36-34(37)40-14-3-6-25-31(50)46-27(18-21-7-10-22-4-1-2-5-23(22)16-21)30(49)42-19-29(48)43-28(17-20-8-11-24(47)12-9-20)33(52)45-26(32(51)44-25)13-15-41-35(38)39/h1-2,4-5,7-12,16,25-28,47H,3,6,13-15,17-19H2,(H,42,49)(H,43,48)(H,44,51)(H,45,52)(H,46,50)(H4,36,37,40)(H4,38,39,41)/t25-,26-,27-,28+/m0/s1 XYNJMRDMTUJTTG-LAJGZZDBSA-N 50166093 CHEMBL193217::N-{3-[(2S,5S,11R,14S)-14-(2-Guanidino-ethyl)-11-(4-hydroxy-benzyl)-5-naphthalen-2-ylmethyl-3,6,9,12,15-pentaoxo-1,4,7,10,13pentaaza-cyclopentadec-2-yl]-propyl}-guanidine C-X-C chemokine receptor type 4 24 ChEMBL 10.1021/jm050009h 10.7270/Q24X5790 15857134 Tamamura, H; Araki, T; Ueda, S; Wang, Z; Oishi, S; Esaka, A; Trent, JO; Nakashima, H; Yamamoto, N; Peiper, SC; Otaka, A; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50166093 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50166093&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 5278964 104051501 CHEMBL193217 ZINC28474985 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50306468 NC(=N)NCCC[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O InChI=1S/C35H42N8O6/c36-35(37)38-15-3-7-26-32(47)42-27(19-22-9-12-23-5-1-2-6-24(23)17-22)31(46)39-20-30(45)40-28(18-21-10-13-25(44)14-11-21)34(49)43-16-4-8-29(43)33(48)41-26/h1-2,5-6,9-14,17,26-29,44H,3-4,7-8,15-16,18-20H2,(H,39,46)(H,40,45)(H,41,48)(H,42,47)(H4,36,37,38)/t26-,27-,28+,29+/m0/s1 RZVVSRYTCCIQJG-QUAHOIDUSA-N 50166097 CHEMBL424826::N-{3-[(5R,11S,14S,16aR)-5-(4-Hydroxy-benzyl)-11-naphthalen-2-ylmethyl-4,7,10,13,16-pentaoxo-hexadecahydro-3a,6,9,12,15-pentaaza-cyclopentacyclopentadecen-14-yl]-propyl}-guanidine C-X-C chemokine receptor type 4 420 ChEMBL 10.1021/jm050009h 10.7270/Q24X5790 15857134 Tamamura, H; Araki, T; Ueda, S; Wang, Z; Oishi, S; Esaka, A; Trent, JO; Nakashima, H; Yamamoto, N; Peiper, SC; Otaka, A; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50166097 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50166097&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 5278955 104051505 CHEMBL424826 ZINC28475788 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50306469 NC(=N)NCCC[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)\C=C/[C@@H](Cc2ccc3ccccc3c2)NC1=O InChI=1S/C36H46N10O5/c37-35(38)41-17-3-7-28-32(49)43-26(20-23-9-12-24-5-1-2-6-25(24)19-23)13-16-31(48)44-30(21-22-10-14-27(47)15-11-22)34(51)46-29(33(50)45-28)8-4-18-42-36(39)40/h1-2,5-6,9-16,19,26,28-30,47H,3-4,7-8,17-18,20-21H2,(H,43,49)(H,44,48)(H,45,50)(H,46,51)(H4,37,38,41)(H4,39,40,42)/b16-13-/t26-,28+,29-,30-/m0/s1 HNDKSLSVZSSSIT-PZNYKHOMSA-N 50166099 CHEMBL362983::N-{3-[(Z)-(3R,6S,9S,14R)-6-(3-Guanidino-propyl)-9-(4-hydroxy-benzyl)-14-naphthalen-2-ylmethyl-2,5,8,11-tetraoxo-1,4,7,10tetraaza-cyclotetradec-12-en-3-yl]-propyl}-guanidine C-X-C chemokine receptor type 4 >1000 ChEMBL 10.1021/jm050009h 10.7270/Q24X5790 15857134 Tamamura, H; Araki, T; Ueda, S; Wang, Z; Oishi, S; Esaka, A; Trent, JO; Nakashima, H; Yamamoto, N; Peiper, SC; Otaka, A; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50166099 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50166099&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 44400300 104051507 CHEMBL362983 ZINC28474941 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50306470 NC(=O)CC[C@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O InChI=1S/C35H43N9O7/c36-29(46)14-13-26-33(50)42-25(6-3-15-39-35(37)38)32(49)44-27(18-21-7-10-22-4-1-2-5-23(22)16-21)31(48)40-19-30(47)41-28(34(51)43-26)17-20-8-11-24(45)12-9-20/h1-2,4-5,7-12,16,25-28,45H,3,6,13-15,17-19H2,(H2,36,46)(H,40,48)(H,41,47)(H,42,50)(H,43,51)(H,44,49)(H4,37,38,39)/t25-,26+,27-,28+/m0/s1 NAWXGQPEDXCNJF-ZVBOOHQUSA-N 50166098 3-[(2R,5S,8S,14R)-5-(3-Guanidino-propyl)-14-(4-hydroxy-benzyl)-8-naphthalen-2-ylmethyl-3,6,9,12,15-pentaoxo-1,4,7,10,13pentaaza-cyclopentadec-2-yl]-propionamide::CHEMBL364011 C-X-C chemokine receptor type 4 170 ChEMBL 10.1021/jm050009h 10.7270/Q24X5790 15857134 Tamamura, H; Araki, T; Ueda, S; Wang, Z; Oishi, S; Esaka, A; Trent, JO; Nakashima, H; Yamamoto, N; Peiper, SC; Otaka, A; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50166098 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50166098&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 44400263 104051506 CHEMBL364011 ZINC28475459 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50306471 NC(=N)NCCC[C@@H]1NC(=O)[C@H](C\C=C/CC[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O)C(N)=O)NC(=O)CCNC(N)=N InChI=1S/C32H45N11O5/c33-27(45)22-9-2-1-3-10-23(40-26(44)14-16-39-32(36)37)28(46)42-24(11-6-15-38-31(34)35)29(47)43-25(30(48)41-22)18-19-12-13-20-7-4-5-8-21(20)17-19/h1,3-5,7-8,12-13,17,22-25H,2,6,9-11,14-16,18H2,(H2,33,45)(H,40,44)(H,41,48)(H,42,46)(H,43,47)(H4,34,35,38)(H4,36,37,39)/b3-1-/t22-,23+,24+,25+/m1/s1 XUSHRSKCJWTASB-BUQUWYIASA-N 50166100 (Z)-(2S,5S,8R,14S)-14-(3-Guanidino-propionylamino)-2-(3-guanidino-propyl)-5-naphthalen-2-ylmethyl-3,6,15-trioxo-1,4,7triaza-cyclopentadec-11-ene-8-carboxylic acid amide::CHEMBL191651 C-X-C chemokine receptor type 4 10000 ChEMBL 10.1021/jm050009h 10.7270/Q24X5790 15857134 Tamamura, H; Araki, T; Ueda, S; Wang, Z; Oishi, S; Esaka, A; Trent, JO; Nakashima, H; Yamamoto, N; Peiper, SC; Otaka, A; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50166100 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50166100&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 44400315 104051508 CHEMBL191651 ZINC28477788 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50306472 C[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O InChI=1S/C33H40N8O6/c1-19-29(44)40-25(7-4-14-36-33(34)35)31(46)41-26(17-21-8-11-22-5-2-3-6-23(22)15-21)30(45)37-18-28(43)39-27(32(47)38-19)16-20-9-12-24(42)13-10-20/h2-3,5-6,8-13,15,19,25-27,42H,4,7,14,16-18H2,1H3,(H,37,45)(H,38,47)(H,39,43)(H,40,44)(H,41,46)(H4,34,35,36)/t19-,25-,26-,27+/m0/s1 ZLADCKHHHMLAMG-HNDFRXHXSA-N 50166105 CHEMBL192685::N-{3-[(2S,5S,11R,14S)-11-(4-Hydroxy-benzyl)-14-methyl-5-naphthalen-2-ylmethyl-3,6,9,12,15-pentaoxo-1,4,7,10,13pentaaza-cyclopentadec-2-yl]-propyl}-guanidine C-X-C chemokine receptor type 4 230 ChEMBL 10.1021/jm050009h 10.7270/Q24X5790 15857134 Tamamura, H; Araki, T; Ueda, S; Wang, Z; Oishi, S; Esaka, A; Trent, JO; Nakashima, H; Yamamoto, N; Peiper, SC; Otaka, A; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50166105 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50166105&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 5278959 104051513 CHEMBL192685 ZINC28475792 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50306473 NC(=N)NCCC[C@@H]1NC(=O)[C@H](CC=CC[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O)C(N)=O)NC(=O)CCNC(N)=N InChI=1S/C31H43N11O5/c32-26(44)21-8-3-4-9-22(39-25(43)13-15-38-31(35)36)27(45)41-23(10-5-14-37-30(33)34)28(46)42-24(29(47)40-21)17-18-11-12-19-6-1-2-7-20(19)16-18/h1-4,6-7,11-12,16,21-24H,5,8-10,13-15,17H2,(H2,32,44)(H,39,43)(H,40,47)(H,41,45)(H,42,46)(H4,33,34,37)(H4,35,36,38)/t21-,22+,23+,24+/m1/s1 DDFRGEJQCCTAEI-SBFWRKJZSA-N 50166103 (Z)-(2S,5S,8R,13S)-13-(3-Guanidino-propionylamino)-2-(3-guanidino-propyl)-5-naphthalen-2-ylmethyl-3,6,14-trioxo-1,4,7triaza-cyclotetradec-10-ene-8-carboxylic acid amide::CHEMBL364014 C-X-C chemokine receptor type 4 10000 ChEMBL 10.1021/jm050009h 10.7270/Q24X5790 15857134 Tamamura, H; Araki, T; Ueda, S; Wang, Z; Oishi, S; Esaka, A; Trent, JO; Nakashima, H; Yamamoto, N; Peiper, SC; Otaka, A; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50166103 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50166103&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 44400314 104051511 CHEMBL364014 ZINC28475294 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50306474 NC(=N)NCCC[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O InChI=1S/C35H42N8O6/c36-35(37)38-15-3-7-26-32(47)42-27(19-22-9-12-23-5-1-2-6-24(23)17-22)31(46)39-20-30(45)40-28(18-21-10-13-25(44)14-11-21)34(49)43-16-4-8-29(43)33(48)41-26/h1-2,5-6,9-14,17,26-29,44H,3-4,7-8,15-16,18-20H2,(H,39,46)(H,40,45)(H,41,48)(H,42,47)(H4,36,37,38)/t26-,27-,28+,29-/m0/s1 RZVVSRYTCCIQJG-FKWFRFQNSA-N 50166104 CHEMBL191942::N-{3-[(5R,11S,14S,16aS)-5-(4-Hydroxy-benzyl)-11-naphthalen-2-ylmethyl-4,7,10,13,16-pentaoxo-hexadecahydro-3a,6,9,12,15-pentaaza-cyclopentacyclopentadecen-14-yl]-propyl}-guanidine C-X-C chemokine receptor type 4 1600 ChEMBL 10.1021/jm050009h 10.7270/Q24X5790 15857134 Tamamura, H; Araki, T; Ueda, S; Wang, Z; Oishi, S; Esaka, A; Trent, JO; Nakashima, H; Yamamoto, N; Peiper, SC; Otaka, A; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50166104 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50166104&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 5278956 104051512 CHEMBL191942 ZINC28477180 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50306475 C[C@H]1N(C)C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O InChI=1S/C34H42N8O6/c1-20-30(45)40-26(8-5-15-37-34(35)36)32(47)41-27(18-22-9-12-23-6-3-4-7-24(23)16-22)31(46)38-19-29(44)39-28(33(48)42(20)2)17-21-10-13-25(43)14-11-21/h3-4,6-7,9-14,16,20,26-28,43H,5,8,15,17-19H2,1-2H3,(H,38,46)(H,39,44)(H,40,45)(H,41,47)(H4,35,36,37)/t20-,26+,27+,28-/m1/s1 DOIPLWFMCRABRU-WTEOMTDASA-N 50166102 CHEMBL371993::N-{3-[(2S,5S,11R,14R)-11-(4-Hydroxy-benzyl)-13,14-dimethyl-5-naphthalen-2-ylmethyl-3,6,9,12,15-pentaoxo-1,4,7,10,13pentaaza-cyclopentadec-2-yl]-propyl}-guanidine C-X-C chemokine receptor type 4 490.0 ChEMBL 10.1021/jm050009h 10.7270/Q24X5790 15857134 Tamamura, H; Araki, T; Ueda, S; Wang, Z; Oishi, S; Esaka, A; Trent, JO; Nakashima, H; Yamamoto, N; Peiper, SC; Otaka, A; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50166102 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50166102&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 5278958 104051510 CHEMBL371993 ZINC28476203 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50306476 NCCC1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O InChI=1S/C34H43N9O6/c35-14-13-26-32(48)41-25(6-3-15-38-34(36)37)31(47)43-27(18-21-7-10-22-4-1-2-5-23(22)16-21)30(46)39-19-29(45)40-28(33(49)42-26)17-20-8-11-24(44)12-9-20/h1-2,4-5,7-12,16,25-28,44H,3,6,13-15,17-19,35H2,(H,39,46)(H,40,45)(H,41,48)(H,42,49)(H,43,47)(H4,36,37,38)/t25-,26?,27-,28+/m0/s1 HARPNEHNTFUJLG-KCCLQJLHSA-N 50166101 CHEMBL372422::N-{3-[(2S,5S,11R)-14-(2-Amino-ethyl)-11-(4-hydroxy-benzyl)-5-naphthalen-2-ylmethyl-3,6,9,12,15-pentaoxo-1,4,7,10,13pentaaza-cyclopentadec-2-yl]-propyl}-guanidine C-X-C chemokine receptor type 4 16 ChEMBL 10.1021/jm050009h 10.7270/Q24X5790 15857134 Tamamura, H; Araki, T; Ueda, S; Wang, Z; Oishi, S; Esaka, A; Trent, JO; Nakashima, H; Yamamoto, N; Peiper, SC; Otaka, A; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50166101 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50166101&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 44400238 104051509 CHEMBL372422 ZINC28476209 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50306477 NC(N)=NCCC[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O InChI=1S/C36H47N11O6/c37-35(38)41-15-3-7-26-32(51)45-27(8-4-16-42-36(39)40)33(52)47-28(19-22-9-12-23-5-1-2-6-24(23)17-22)31(50)43-20-30(49)44-29(34(53)46-26)18-21-10-13-25(48)14-11-21/h1-2,5-6,9-14,17,26-29,48H,3-4,7-8,15-16,18-20H2,(H,43,50)(H,44,49)(H,45,51)(H,46,53)(H,47,52)(H4,37,38,41)(H4,39,40,42)/t26-,27-,28-,29+/m0/s1 MBXBICVKLVYNKD-XFTNXAEASA-N 50166106 CHEMBL436283::N-{3-[(2S,5S,8S,14R)-5-(3-Guanidino-propyl)-14-(4-hydroxy-benzyl)-8-naphthalen-2-ylmethyl-3,6,9,12,15-pentaoxo-1,4,7,10,13pentaaza-cyclopentadec-2-yl]-propyl}-guanidine::cyclo(-D-Tyr-Arg-Arg-Nal-Gly-) C-X-C chemokine receptor type 4 8.4 ChEMBL 10.1021/jm050009h 10.7270/Q24X5790 15857134 Tamamura, H; Araki, T; Ueda, S; Wang, Z; Oishi, S; Esaka, A; Trent, JO; Nakashima, H; Yamamoto, N; Peiper, SC; Otaka, A; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50166106 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50166106&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 5275843 104051514 CHEMBL436283 ZINC03925712 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50306478 NC(=N)NCCC[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CC[C@@H](Cc2ccc3ccccc3c2)NC1=O InChI=1S/C36H48N10O5/c37-35(38)41-17-3-7-28-32(49)43-26(20-23-9-12-24-5-1-2-6-25(24)19-23)13-16-31(48)44-30(21-22-10-14-27(47)15-11-22)34(51)46-29(33(50)45-28)8-4-18-42-36(39)40/h1-2,5-6,9-12,14-15,19,26,28-30,47H,3-4,7-8,13,16-18,20-21H2,(H,43,49)(H,44,48)(H,45,50)(H,46,51)(H4,37,38,41)(H4,39,40,42)/t26-,28+,29-,30-/m0/s1 MMACXAIBJOUIOH-FAPGNOQXSA-N 50166108 CHEMBL364295::N-{3-[(3R,6S,9S,14S)-6-(3-Guanidino-propyl)-9-(4-hydroxy-benzyl)-14-naphthalen-2-ylmethyl-2,5,8,11-tetraoxo-1,4,7,10tetraaza-cyclotetradec-3-yl]-propyl}-guanidine C-X-C chemokine receptor type 4 54 ChEMBL 10.1021/jm050009h 10.7270/Q24X5790 15857134 Tamamura, H; Araki, T; Ueda, S; Wang, Z; Oishi, S; Esaka, A; Trent, JO; Nakashima, H; Yamamoto, N; Peiper, SC; Otaka, A; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50166108 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50166108&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 44400298 104051516 CHEMBL364295 ZINC28476536 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50306479 NCCCC[C@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O InChI=1S/C36H47N9O6/c37-16-4-3-8-27-33(49)43-28(9-5-17-40-36(38)39)34(50)45-29(20-23-10-13-24-6-1-2-7-25(24)18-23)32(48)41-21-31(47)42-30(35(51)44-27)19-22-11-14-26(46)15-12-22/h1-2,6-7,10-15,18,27-30,46H,3-5,8-9,16-17,19-21,37H2,(H,41,48)(H,42,47)(H,43,49)(H,44,51)(H,45,50)(H4,38,39,40)/t27-,28+,29+,30-/m1/s1 KHAJTASUXODXRA-IBHPWDLASA-N 50166109 CHEMBL365952::N-{3-[(2S,5S,11R,14R)-14-(4-Amino-butyl)-11-(4-hydroxy-benzyl)-5-naphthalen-2-ylmethyl-3,6,9,12,15-pentaoxo-1,4,7,10,13pentaaza-cyclopentadec-2-yl]-propyl}-guanidine C-X-C chemokine receptor type 4 97 ChEMBL 10.1021/jm050009h 10.7270/Q24X5790 15857134 Tamamura, H; Araki, T; Ueda, S; Wang, Z; Oishi, S; Esaka, A; Trent, JO; Nakashima, H; Yamamoto, N; Peiper, SC; Otaka, A; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50166109 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50166109&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 44400199 104051517 CHEMBL365952 ZINC28476809 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50306480 NC(=N)NCCC[C@@H]1NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O InChI=1S/C35H42N8O8/c36-35(37)38-15-3-6-25-32(49)43-27(18-21-7-10-22-4-1-2-5-23(22)16-21)31(48)39-19-29(45)40-28(17-20-8-11-24(44)12-9-20)34(51)42-26(33(50)41-25)13-14-30(46)47/h1-2,4-5,7-12,16,25-28,44H,3,6,13-15,17-19H2,(H,39,48)(H,40,45)(H,41,50)(H,42,51)(H,43,49)(H,46,47)(H4,36,37,38)/t25-,26+,27-,28+/m0/s1 QIZZLDFGVSXENK-ZVBOOHQUSA-N 50166107 3-[(2R,5S,8S,14R)-5-(3-Guanidino-propyl)-14-(4-hydroxy-benzyl)-8-naphthalen-2-ylmethyl-3,6,9,12,15-pentaoxo-1,4,7,10,13pentaaza-cyclopentadec-2-yl]-propionic acid::CHEMBL366033 C-X-C chemokine receptor type 4 610 ChEMBL 10.1021/jm050009h 10.7270/Q24X5790 15857134 Tamamura, H; Araki, T; Ueda, S; Wang, Z; Oishi, S; Esaka, A; Trent, JO; Nakashima, H; Yamamoto, N; Peiper, SC; Otaka, A; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50166107 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50166107&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 44400264 104051515 CHEMBL366033 ZINC28476934 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50878199 CC(C)C[C@@H]1N(C)C(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=O)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O InChI=1S/C42H58N10O7/c1-25(2)21-35-38(56)49-32(23-26-14-17-30(53)18-15-26)36(54)48-31(11-7-19-46-41(43)44)39(57)51(3)34(12-8-20-47-42(45)59)37(55)50-33(40(58)52(35)4)24-27-13-16-28-9-5-6-10-29(28)22-27/h5-6,9-10,13-18,22,25,31-35,53H,7-8,11-12,19-21,23-24H2,1-4H3,(H,48,54)(H,49,56)(H,50,55)(H4,43,44,46)(H3,45,47,59)/t31-,32+,33-,34-,35-/m0/s1 OAHLUMLHNGTJEM-XJZSZEIDSA-N 50264097 CHEMBL4085603 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.8b00336 10.7270/Q23B62M5 29608300 Sekiguchi, H; Kuroyanagi, T; Rhainds, D; Kobayashi, K; Kobayashi, Y; Ohno, H; Heveker, N; Akaji, K; Fujii, N; Oishi, S Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50264097 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50264097&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137645906 404341724 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50878202 CN1[C@@H](CCCNC(N)=O)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N(C)[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C1=O InChI=1S/C47H57N11O7/c1-57-39(14-8-22-52-47(50)65)42(61)56-38(25-29-15-18-30-9-3-4-10-31(30)23-29)45(64)58(2)40(26-32-27-53-35-12-6-5-11-34(32)35)43(62)55-37(24-28-16-19-33(59)20-17-28)41(60)54-36(44(57)63)13-7-21-51-46(48)49/h3-6,9-12,15-20,23,27,36-40,53,59H,7-8,13-14,21-22,24-26H2,1-2H3,(H,54,60)(H,55,62)(H,56,61)(H4,48,49,51)(H3,50,52,65)/t36-,37+,38-,39-,40-/m0/s1 OSGIEBKVHBEXHN-DRTMTWGASA-N 50264098 CHEMBL4101089 C-X-C chemokine receptor type 4 10000 ChEMBL 10.1021/acs.jmedchem.8b00336 10.7270/Q23B62M5 29608300 Sekiguchi, H; Kuroyanagi, T; Rhainds, D; Kobayashi, K; Kobayashi, Y; Ohno, H; Heveker, N; Akaji, K; Fujii, N; Oishi, S Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50264098 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50264098&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137660298 404341725 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50878210 CN1[C@@H](CCCNC(N)=O)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N(C)[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C1=O InChI=1S/C49H58N10O7/c1-58-41(14-8-24-54-49(52)66)44(62)57-40(28-31-15-19-33-9-3-5-11-35(33)25-31)47(65)59(2)42(29-32-16-20-34-10-4-6-12-36(34)26-32)45(63)56-39(27-30-17-21-37(60)22-18-30)43(61)55-38(46(58)64)13-7-23-53-48(50)51/h3-6,9-12,15-22,25-26,38-42,60H,7-8,13-14,23-24,27-29H2,1-2H3,(H,55,61)(H,56,63)(H,57,62)(H4,50,51,53)(H3,52,54,66)/t38-,39+,40-,41-,42-/m0/s1 TUZORBWXKFRUHL-GDLMWWPGSA-N 50264099 CHEMBL4098623 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.8b00336 10.7270/Q23B62M5 29608300 Sekiguchi, H; Kuroyanagi, T; Rhainds, D; Kobayashi, K; Kobayashi, Y; Ohno, H; Heveker, N; Akaji, K; Fujii, N; Oishi, S Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50264099 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50264099&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137660893 404341726 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50878211 CN1[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N2CCC[C@H]2C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(N)=O)C1=O InChI=1S/C38H47N9O7/c1-46-30(8-4-16-42-38(40)41)34(51)45-28(20-23-10-13-24-6-2-3-7-25(24)18-23)37(54)47-17-5-9-31(47)35(52)43-27(19-22-11-14-26(48)15-12-22)33(50)44-29(36(46)53)21-32(39)49/h2-3,6-7,10-15,18,27-31,48H,4-5,8-9,16-17,19-21H2,1H3,(H2,39,49)(H,43,52)(H,44,50)(H,45,51)(H4,40,41,42)/t27-,28+,29+,30+,31+/m1/s1 KYYSZUOMVIDLIL-LVIOGHJBSA-N 50264104 CHEMBL4100753 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.8b00336 10.7270/Q23B62M5 29608300 Sekiguchi, H; Kuroyanagi, T; Rhainds, D; Kobayashi, K; Kobayashi, Y; Ohno, H; Heveker, N; Akaji, K; Fujii, N; Oishi, S Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50264104 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50264104&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137661467 404341727 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50878212 CN1[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N2CCC[C@H]2C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C1=O InChI=1S/C39H48N8O8/c1-46-31(16-17-33(49)50)35(52)45-30(22-24-10-13-25-6-2-3-7-26(25)20-24)38(55)47-19-5-9-32(47)36(53)44-29(21-23-11-14-27(48)15-12-23)34(51)43-28(37(46)54)8-4-18-42-39(40)41/h2-3,6-7,10-15,20,28-32,48H,4-5,8-9,16-19,21-22H2,1H3,(H,43,51)(H,44,53)(H,45,52)(H,49,50)(H4,40,41,42)/t28-,29+,30-,31-,32-/m0/s1 WFYVBMUCOMDOEM-RTMXLORFSA-N 50264105 CHEMBL4085291 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.8b00336 10.7270/Q23B62M5 29608300 Sekiguchi, H; Kuroyanagi, T; Rhainds, D; Kobayashi, K; Kobayashi, Y; Ohno, H; Heveker, N; Akaji, K; Fujii, N; Oishi, S Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50264105 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50264105&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137646840 404341728 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50878251 CSCC[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)N(C)C1=O InChI=1S/C39H50N8O6S/c1-46-32(9-5-18-42-39(40)41)35(50)45-31(23-25-11-14-26-7-3-4-8-27(26)21-25)38(53)47-19-6-10-33(47)36(51)44-30(22-24-12-15-28(48)16-13-24)34(49)43-29(37(46)52)17-20-54-2/h3-4,7-8,11-16,21,29-33,48H,5-6,9-10,17-20,22-23H2,1-2H3,(H,43,49)(H,44,51)(H,45,50)(H4,40,41,42)/t29-,30+,31-,32-,33-/m0/s1 MKXADBVXOLKOMO-WUXKFAKNSA-N 50263855 CHEMBL4101715 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.8b00336 10.7270/Q23B62M5 29608300 Sekiguchi, H; Kuroyanagi, T; Rhainds, D; Kobayashi, K; Kobayashi, Y; Ohno, H; Heveker, N; Akaji, K; Fujii, N; Oishi, S Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50263855 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50263855&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137660814 404341673 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50878273 C[C@@H](O)[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)N(C)C1=O InChI=1S/C38H48N8O7/c1-22(47)32-37(53)45(2)30(9-5-17-41-38(39)40)34(50)43-29(21-24-11-14-25-7-3-4-8-26(25)19-24)36(52)46-18-6-10-31(46)35(51)42-28(33(49)44-32)20-23-12-15-27(48)16-13-23/h3-4,7-8,11-16,19,22,28-32,47-48H,5-6,9-10,17-18,20-21H2,1-2H3,(H,42,51)(H,43,50)(H,44,49)(H4,39,40,41)/t22-,28-,29+,30+,31+,32+/m1/s1 YUOIGDWNUHEUCU-WHOOXDAFSA-N 50263894 CHEMBL4065322 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.8b00336 10.7270/Q23B62M5 29608300 Sekiguchi, H; Kuroyanagi, T; Rhainds, D; Kobayashi, K; Kobayashi, Y; Ohno, H; Heveker, N; Akaji, K; Fujii, N; Oishi, S Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50263894 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50263894&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137634082 404341676 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50878302 CC(C)[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)N(C)C1=O InChI=1S/C39H50N8O6/c1-23(2)33-38(53)46(3)31(10-6-18-42-39(40)41)35(50)44-30(22-25-12-15-26-8-4-5-9-27(26)20-25)37(52)47-19-7-11-32(47)36(51)43-29(34(49)45-33)21-24-13-16-28(48)17-14-24/h4-5,8-9,12-17,20,23,29-33,48H,6-7,10-11,18-19,21-22H2,1-3H3,(H,43,51)(H,44,50)(H,45,49)(H4,40,41,42)/t29-,30+,31+,32+,33+/m1/s1 VLVFZYONSPOLQK-UZYORVLWSA-N 50263938 CHEMBL4062559 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.8b00336 10.7270/Q23B62M5 29608300 Sekiguchi, H; Kuroyanagi, T; Rhainds, D; Kobayashi, K; Kobayashi, Y; Ohno, H; Heveker, N; Akaji, K; Fujii, N; Oishi, S Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50263938 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50263938&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137634372 404341678 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50878435 CN1[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N2CCC[C@H]2C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCC(N)=O)C1=O InChI=1S/C39H49N9O7/c1-47-31(8-4-18-43-39(41)42)35(52)46-30(22-24-10-13-25-6-2-3-7-26(25)20-24)38(55)48-19-5-9-32(48)36(53)45-29(21-23-11-14-27(49)15-12-23)34(51)44-28(37(47)54)16-17-33(40)50/h2-3,6-7,10-15,20,28-32,49H,4-5,8-9,16-19,21-22H2,1H3,(H2,40,50)(H,44,51)(H,45,53)(H,46,52)(H4,41,42,43)/t28-,29+,30-,31-,32-/m0/s1 MIABPWGZSAFDDC-RTMXLORFSA-N 50264053 CHEMBL4090509 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.8b00336 10.7270/Q23B62M5 29608300 Sekiguchi, H; Kuroyanagi, T; Rhainds, D; Kobayashi, K; Kobayashi, Y; Ohno, H; Heveker, N; Akaji, K; Fujii, N; Oishi, S Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50264053 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50264053&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137643816 404341717 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50878438 CN1[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N2CCC[C@H]2C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCNC(N)=N)C1=O InChI=1S/C39H51N11O6/c1-49-31(8-4-17-44-38(40)41)34(53)48-30(22-24-10-13-25-6-2-3-7-26(25)20-24)37(56)50-19-5-9-32(50)35(54)47-29(21-23-11-14-27(51)15-12-23)33(52)46-28(36(49)55)16-18-45-39(42)43/h2-3,6-7,10-15,20,28-32,51H,4-5,8-9,16-19,21-22H2,1H3,(H,46,52)(H,47,54)(H,48,53)(H4,40,41,44)(H4,42,43,45)/t28-,29+,30-,31-,32-/m0/s1 DWZOJIGWAWDPSO-RTMXLORFSA-N 50264054 CHEMBL4095797 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.8b00336 10.7270/Q23B62M5 29608300 Sekiguchi, H; Kuroyanagi, T; Rhainds, D; Kobayashi, K; Kobayashi, Y; Ohno, H; Heveker, N; Akaji, K; Fujii, N; Oishi, S Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50264054 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50264054&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137654804 404341718 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50878445 CN1[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N2CCC[C@H]2C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C1=O InChI=1S/C39H49N9O7/c1-47-31(16-17-33(40)50)35(52)46-30(22-24-10-13-25-6-2-3-7-26(25)20-24)38(55)48-19-5-9-32(48)36(53)45-29(21-23-11-14-27(49)15-12-23)34(51)44-28(37(47)54)8-4-18-43-39(41)42/h2-3,6-7,10-15,20,28-32,49H,4-5,8-9,16-19,21-22H2,1H3,(H2,40,50)(H,44,51)(H,45,53)(H,46,52)(H4,41,42,43)/t28-,29+,30-,31-,32-/m0/s1 CKFOZCWXDYIASA-RTMXLORFSA-N 50264055 CHEMBL4091427 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.8b00336 10.7270/Q23B62M5 29608300 Sekiguchi, H; Kuroyanagi, T; Rhainds, D; Kobayashi, K; Kobayashi, Y; Ohno, H; Heveker, N; Akaji, K; Fujii, N; Oishi, S Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50264055 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50264055&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137655552 404341719 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50878646 CN1[C@@H](CCNC(N)=N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N2CCC[C@H]2C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C1=O InChI=1S/C39H51N11O6/c1-49-31(16-18-45-39(42)43)34(53)48-30(22-24-10-13-25-6-2-3-7-26(25)20-24)37(56)50-19-5-9-32(50)35(54)47-29(21-23-11-14-27(51)15-12-23)33(52)46-28(36(49)55)8-4-17-44-38(40)41/h2-3,6-7,10-15,20,28-32,51H,4-5,8-9,16-19,21-22H2,1H3,(H,46,52)(H,47,54)(H,48,53)(H4,40,41,44)(H4,42,43,45)/t28-,29+,30-,31-,32-/m0/s1 RLSHQJHSMNENDU-RTMXLORFSA-N 50264056 CHEMBL4098734 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.8b00336 10.7270/Q23B62M5 29608300 Sekiguchi, H; Kuroyanagi, T; Rhainds, D; Kobayashi, K; Kobayashi, Y; Ohno, H; Heveker, N; Akaji, K; Fujii, N; Oishi, S Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50264056 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50264056&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137662063 404341720 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50878647 CN1[C@@H](CCCNC(N)=O)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N2CCC[C@H]2C(=O)N[C@H](Cc2ccccc2F)C(=O)N[C@@H](CCCNC(N)=N)C1=O InChI=1S/C40H51FN10O6/c1-50-32(14-7-19-46-40(44)57)35(53)49-31(22-24-16-17-25-9-2-3-10-26(25)21-24)38(56)51-20-8-15-33(51)36(54)48-30(23-27-11-4-5-12-28(27)41)34(52)47-29(37(50)55)13-6-18-45-39(42)43/h2-5,9-12,16-17,21,29-33H,6-8,13-15,18-20,22-23H2,1H3,(H,47,52)(H,48,54)(H,49,53)(H4,42,43,45)(H3,44,46,57)/t29-,30+,31-,32-,33-/m0/s1 GGJKVPANSNDYOE-WUXKFAKNSA-N 50264057 CHEMBL4083207 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.8b00336 10.7270/Q23B62M5 29608300 Sekiguchi, H; Kuroyanagi, T; Rhainds, D; Kobayashi, K; Kobayashi, Y; Ohno, H; Heveker, N; Akaji, K; Fujii, N; Oishi, S Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50264057 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50264057&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137648169 404341721 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50878648 CN1[C@@H](CCCNC(N)=O)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N2CCC[C@H]2C(=O)N[C@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](CCCNC(N)=N)C1=O InChI=1S/C40H51ClN10O6/c1-50-32(10-5-19-46-40(44)57)35(53)49-31(23-25-12-15-26-7-2-3-8-27(26)21-25)38(56)51-20-6-11-33(51)36(54)48-30(22-24-13-16-28(41)17-14-24)34(52)47-29(37(50)55)9-4-18-45-39(42)43/h2-3,7-8,12-17,21,29-33H,4-6,9-11,18-20,22-23H2,1H3,(H,47,52)(H,48,54)(H,49,53)(H4,42,43,45)(H3,44,46,57)/t29-,30+,31-,32-,33-/m0/s1 FPZRDMOHTYQATK-WUXKFAKNSA-N 50264062 CHEMBL4077860 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.8b00336 10.7270/Q23B62M5 29608300 Sekiguchi, H; Kuroyanagi, T; Rhainds, D; Kobayashi, K; Kobayashi, Y; Ohno, H; Heveker, N; Akaji, K; Fujii, N; Oishi, S Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50264062 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50264062&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137650276 404341722 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50878649 CN1[C@@H](CCCNC(N)=O)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N2CCC[C@H]2C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCNC(N)=N)C1=O InChI=1S/C42H53N11O6/c1-52-34(14-7-19-47-42(45)59)37(55)51-33(22-25-16-17-26-9-2-3-10-27(26)21-25)40(58)53-20-8-15-35(53)38(56)50-32(23-28-24-48-30-12-5-4-11-29(28)30)36(54)49-31(39(52)57)13-6-18-46-41(43)44/h2-5,9-12,16-17,21,24,31-35,48H,6-8,13-15,18-20,22-23H2,1H3,(H,49,54)(H,50,56)(H,51,55)(H4,43,44,46)(H3,45,47,59)/t31-,32+,33-,34-,35-/m0/s1 OCTNHAVNRLEEHJ-XJZSZEIDSA-N 50264082 CHEMBL4094960 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.8b00336 10.7270/Q23B62M5 29608300 Sekiguchi, H; Kuroyanagi, T; Rhainds, D; Kobayashi, K; Kobayashi, Y; Ohno, H; Heveker, N; Akaji, K; Fujii, N; Oishi, S Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50264082 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50264082&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137655917 404341723 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50349430 NC(N)=NCCC[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O InChI=1S/C36H47N11O6/c37-35(38)41-15-3-7-26-32(51)45-27(8-4-16-42-36(39)40)33(52)47-28(19-22-9-12-23-5-1-2-6-24(23)17-22)31(50)43-20-30(49)44-29(34(53)46-26)18-21-10-13-25(48)14-11-21/h1-2,5-6,9-14,17,26-29,48H,3-4,7-8,15-16,18-20H2,(H,43,50)(H,44,49)(H,45,51)(H,46,53)(H,47,52)(H4,37,38,41)(H4,39,40,42)/t26-,27-,28-,29+/m0/s1 MBXBICVKLVYNKD-XFTNXAEASA-N 50166106 CHEMBL436283::N-{3-[(2S,5S,8S,14R)-5-(3-Guanidino-propyl)-14-(4-hydroxy-benzyl)-8-naphthalen-2-ylmethyl-3,6,9,12,15-pentaoxo-1,4,7,10,13pentaaza-cyclopentadec-2-yl]-propyl}-guanidine::cyclo(-D-Tyr-Arg-Arg-Nal-Gly-) C-X-C chemokine receptor type 4 1200 ChEMBL 10.1021/acs.jmedchem.5b00216 10.7270/Q29P33CM 26042340 Oishi, S; Kuroyanagi, T; Kubo, T; Montpas, N; Yoshikawa, Y; Misu, R; Kobayashi, Y; Ohno, H; Heveker, N; Furuya, T; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50166106 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50166106&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 5275843 104051514 CHEMBL436283 ZINC03925712 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50349431 C[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O InChI=1S/C37H49N11O6/c1-21-31(50)47-29(19-22-11-14-26(49)15-12-22)35(54)46-27(8-4-16-42-36(38)39)32(51)45-28(9-5-17-43-37(40)41)33(52)48-30(34(53)44-21)20-23-10-13-24-6-2-3-7-25(24)18-23/h2-3,6-7,10-15,18,21,27-30,49H,4-5,8-9,16-17,19-20H2,1H3,(H,44,53)(H,45,51)(H,46,54)(H,47,50)(H,48,52)(H4,38,39,42)(H4,40,41,43)/t21-,27-,28-,29+,30-/m0/s1 FAIFPAVCTHZTPJ-JTIXJMNMSA-N 50092221 CHEMBL3581261 C-X-C chemokine receptor type 4 23000 ChEMBL 10.1021/acs.jmedchem.5b00216 10.7270/Q29P33CM 26042340 Oishi, S; Kuroyanagi, T; Kubo, T; Montpas, N; Yoshikawa, Y; Misu, R; Kobayashi, Y; Ohno, H; Heveker, N; Furuya, T; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50092221 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50092221&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 10078747 318473195 CHEMBL3581261 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50349432 C[C@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O InChI=1S/C37H49N11O6/c1-21-31(50)47-29(19-22-11-14-26(49)15-12-22)35(54)46-27(8-4-16-42-36(38)39)32(51)45-28(9-5-17-43-37(40)41)33(52)48-30(34(53)44-21)20-23-10-13-24-6-2-3-7-25(24)18-23/h2-3,6-7,10-15,18,21,27-30,49H,4-5,8-9,16-17,19-20H2,1H3,(H,44,53)(H,45,51)(H,46,54)(H,47,50)(H,48,52)(H4,38,39,42)(H4,40,41,43)/t21-,27+,28+,29-,30+/m1/s1 FAIFPAVCTHZTPJ-CSHHCLTFSA-N 50092220 CHEMBL3581262 C-X-C chemokine receptor type 4 2200 ChEMBL 10.1021/acs.jmedchem.5b00216 10.7270/Q29P33CM 26042340 Oishi, S; Kuroyanagi, T; Kubo, T; Montpas, N; Yoshikawa, Y; Misu, R; Kobayashi, Y; Ohno, H; Heveker, N; Furuya, T; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50092220 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50092220&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 10055825 318473194 CHEMBL3581262 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50349433 NC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CCNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O InChI=1S/C37H49N11O6/c38-36(39)43-16-3-7-27-33(52)46-28(8-4-17-44-37(40)41)34(53)48-29(21-23-9-12-24-5-1-2-6-25(24)19-23)32(51)42-18-15-31(50)45-30(35(54)47-27)20-22-10-13-26(49)14-11-22/h1-2,5-6,9-14,19,27-30,49H,3-4,7-8,15-18,20-21H2,(H,42,51)(H,45,50)(H,46,52)(H,47,54)(H,48,53)(H4,38,39,43)(H4,40,41,44)/t27-,28-,29-,30+/m0/s1 IBJHGVXJAHTFBW-GCXHJFECSA-N 50092219 CHEMBL3581263 C-X-C chemokine receptor type 4 6000 ChEMBL 10.1021/acs.jmedchem.5b00216 10.7270/Q29P33CM 26042340 Oishi, S; Kuroyanagi, T; Kubo, T; Montpas, N; Yoshikawa, Y; Misu, R; Kobayashi, Y; Ohno, H; Heveker, N; Furuya, T; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50092219 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50092219&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 10485171 318473193 CHEMBL3581263 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50349434 NC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O InChI=1S/C39H51N11O6/c40-38(41)44-17-3-8-28-33(52)46-29(9-4-18-45-39(42)43)34(53)49-31(22-24-11-14-25-6-1-2-7-26(25)20-24)37(56)50-19-5-10-32(50)36(55)48-30(35(54)47-28)21-23-12-15-27(51)16-13-23/h1-2,6-7,11-16,20,28-32,51H,3-5,8-10,17-19,21-22H2,(H,46,52)(H,47,54)(H,48,55)(H,49,53)(H4,40,41,44)(H4,42,43,45)/t28-,29-,30+,31-,32-/m0/s1 AVNDVFCGYOONJV-LUKCZKMGSA-N 50092218 CHEMBL3581264 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.5b00216 10.7270/Q29P33CM 26042340 Oishi, S; Kuroyanagi, T; Kubo, T; Montpas, N; Yoshikawa, Y; Misu, R; Kobayashi, Y; Ohno, H; Heveker, N; Furuya, T; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50092218 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50092218&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 16102648 318473192 CHEMBL3581264 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50349435 NC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O InChI=1S/C39H51N11O6/c40-38(41)44-17-3-8-28-33(52)46-29(9-4-18-45-39(42)43)34(53)49-31(22-24-11-14-25-6-1-2-7-26(25)20-24)37(56)50-19-5-10-32(50)36(55)48-30(35(54)47-28)21-23-12-15-27(51)16-13-23/h1-2,6-7,11-16,20,28-32,51H,3-5,8-10,17-19,21-22H2,(H,46,52)(H,47,54)(H,48,55)(H,49,53)(H4,40,41,44)(H4,42,43,45)/t28-,29-,30+,31-,32+/m0/s1 AVNDVFCGYOONJV-FXSYQQGGSA-N 50092217 CHEMBL3581265 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.5b00216 10.7270/Q29P33CM 26042340 Oishi, S; Kuroyanagi, T; Kubo, T; Montpas, N; Yoshikawa, Y; Misu, R; Kobayashi, Y; Ohno, H; Heveker, N; Furuya, T; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50092217 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50092217&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 16102652 318473191 CHEMBL3581265 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50349436 NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O InChI=1S/C40H53N11O6/c41-39(42)45-18-5-9-29-34(53)47-30(10-6-19-46-40(43)44)35(54)50-32(23-25-12-15-26-7-1-2-8-27(26)21-25)38(57)51-20-4-3-11-33(51)37(56)49-31(36(55)48-29)22-24-13-16-28(52)17-14-24/h1-2,7-8,12-17,21,29-33,52H,3-6,9-11,18-20,22-23H2,(H,47,53)(H,48,55)(H,49,56)(H,50,54)(H4,41,42,45)(H4,43,44,46)/t29-,30-,31+,32-,33-/m0/s1 OCKLFRUBQIHCJQ-SYJCBOMESA-N 50092216 CHEMBL3581266 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.5b00216 10.7270/Q29P33CM 26042340 Oishi, S; Kuroyanagi, T; Kubo, T; Montpas, N; Yoshikawa, Y; Misu, R; Kobayashi, Y; Ohno, H; Heveker, N; Furuya, T; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50092216 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50092216&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 16102649 318473190 CHEMBL3581266 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50349437 NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCCN2C(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O InChI=1S/C40H53N11O6/c41-39(42)45-18-5-9-29-34(53)47-30(10-6-19-46-40(43)44)35(54)50-32(23-25-12-15-26-7-1-2-8-27(26)21-25)38(57)51-20-4-3-11-33(51)37(56)49-31(36(55)48-29)22-24-13-16-28(52)17-14-24/h1-2,7-8,12-17,21,29-33,52H,3-6,9-11,18-20,22-23H2,(H,47,53)(H,48,55)(H,49,56)(H,50,54)(H4,41,42,45)(H4,43,44,46)/t29-,30-,31+,32-,33+/m0/s1 OCKLFRUBQIHCJQ-NKVOBILMSA-N 50092215 CHEMBL3581267 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.5b00216 10.7270/Q29P33CM 26042340 Oishi, S; Kuroyanagi, T; Kubo, T; Montpas, N; Yoshikawa, Y; Misu, R; Kobayashi, Y; Ohno, H; Heveker, N; Furuya, T; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50092215 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50092215&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 16102653 318473189 CHEMBL3581267 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50349438 C[C@@H]1N(C)C(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O InChI=1S/C38H51N11O6/c1-22-32(51)47-30(20-23-12-15-27(50)16-13-23)35(54)46-28(9-5-17-43-37(39)40)33(52)45-29(10-6-18-44-38(41)42)34(53)48-31(36(55)49(22)2)21-24-11-14-25-7-3-4-8-26(25)19-24/h3-4,7-8,11-16,19,22,28-31,50H,5-6,9-10,17-18,20-21H2,1-2H3,(H,45,52)(H,46,54)(H,47,51)(H,48,53)(H4,39,40,43)(H4,41,42,44)/t22-,28-,29-,30+,31-/m0/s1 SSWRRPCXMMBROH-SVDDKCDESA-N 50092214 CHEMBL3581268 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.5b00216 10.7270/Q29P33CM 26042340 Oishi, S; Kuroyanagi, T; Kubo, T; Montpas, N; Yoshikawa, Y; Misu, R; Kobayashi, Y; Ohno, H; Heveker, N; Furuya, T; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50092214 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50092214&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 122178716 318473188 CHEMBL3581268 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50349439 C[C@H]1N(C)C(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O InChI=1S/C38H51N11O6/c1-22-32(51)47-30(20-23-12-15-27(50)16-13-23)35(54)46-28(9-5-17-43-37(39)40)33(52)45-29(10-6-18-44-38(41)42)34(53)48-31(36(55)49(22)2)21-24-11-14-25-7-3-4-8-26(25)19-24/h3-4,7-8,11-16,19,22,28-31,50H,5-6,9-10,17-18,20-21H2,1-2H3,(H,45,52)(H,46,54)(H,47,51)(H,48,53)(H4,39,40,43)(H4,41,42,44)/t22-,28+,29+,30-,31+/m1/s1 SSWRRPCXMMBROH-NWMSTRDFSA-N 50092213 CHEMBL3581269 C-X-C chemokine receptor type 4 4600 ChEMBL 10.1021/acs.jmedchem.5b00216 10.7270/Q29P33CM 26042340 Oishi, S; Kuroyanagi, T; Kubo, T; Montpas, N; Yoshikawa, Y; Misu, R; Kobayashi, Y; Ohno, H; Heveker, N; Furuya, T; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50092213 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50092213&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 122178717 318473187 CHEMBL3581269 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50349440 NC(=N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O InChI=1S/C39H51N11O6/c40-38(41)44-17-3-8-28-33(52)46-29(9-4-18-45-39(42)43)34(53)49-31(22-24-11-14-25-6-1-2-7-26(25)20-24)37(56)50-19-5-10-32(50)36(55)48-30(35(54)47-28)21-23-12-15-27(51)16-13-23/h1-2,6-7,11-16,20,28-32,51H,3-5,8-10,17-19,21-22H2,(H,46,52)(H,47,54)(H,48,55)(H,49,53)(H4,40,41,44)(H4,42,43,45)/t28-,29-,30-,31-,32-/m0/s1 AVNDVFCGYOONJV-XDIGFQIYSA-N 50092212 CHEMBL3581270 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.5b00216 10.7270/Q29P33CM 26042340 Oishi, S; Kuroyanagi, T; Kubo, T; Montpas, N; Yoshikawa, Y; Misu, R; Kobayashi, Y; Ohno, H; Heveker, N; Furuya, T; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50092212 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50092212&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 122178718 318473186 CHEMBL3581270 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50349441 NC(=N)NCCC[C@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O InChI=1S/C39H51N11O6/c40-38(41)44-17-3-8-28-33(52)46-29(9-4-18-45-39(42)43)34(53)49-31(22-24-11-14-25-6-1-2-7-26(25)20-24)37(56)50-19-5-10-32(50)36(55)48-30(35(54)47-28)21-23-12-15-27(51)16-13-23/h1-2,6-7,11-16,20,28-32,51H,3-5,8-10,17-19,21-22H2,(H,46,52)(H,47,54)(H,48,55)(H,49,53)(H4,40,41,44)(H4,42,43,45)/t28-,29+,30-,31+,32+/m1/s1 AVNDVFCGYOONJV-OXFURMMHSA-N 50092211 CHEMBL3581271 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.5b00216 10.7270/Q29P33CM 26042340 Oishi, S; Kuroyanagi, T; Kubo, T; Montpas, N; Yoshikawa, Y; Misu, R; Kobayashi, Y; Ohno, H; Heveker, N; Furuya, T; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50092211 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50092211&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 16102650 318473185 CHEMBL3581271 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50349442 NC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H](CCCNC(N)=N)NC1=O InChI=1S/C39H51N11O6/c40-38(41)44-17-3-8-28-33(52)46-29(9-4-18-45-39(42)43)34(53)49-31(22-24-11-14-25-6-1-2-7-26(25)20-24)37(56)50-19-5-10-32(50)36(55)48-30(35(54)47-28)21-23-12-15-27(51)16-13-23/h1-2,6-7,11-16,20,28-32,51H,3-5,8-10,17-19,21-22H2,(H,46,52)(H,47,54)(H,48,55)(H,49,53)(H4,40,41,44)(H4,42,43,45)/t28-,29+,30+,31-,32-/m0/s1 AVNDVFCGYOONJV-VYDZHMBASA-N 50092210 CHEMBL3581272 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.5b00216 10.7270/Q29P33CM 26042340 Oishi, S; Kuroyanagi, T; Kubo, T; Montpas, N; Yoshikawa, Y; Misu, R; Kobayashi, Y; Ohno, H; Heveker, N; Furuya, T; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50092210 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50092210&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 122178719 318473184 CHEMBL3581272 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50349443 NC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O InChI=1S/C39H51N11O6/c40-38(41)44-17-3-8-28-33(52)46-29(9-4-18-45-39(42)43)34(53)49-31(22-24-11-14-25-6-1-2-7-26(25)20-24)37(56)50-19-5-10-32(50)36(55)48-30(35(54)47-28)21-23-12-15-27(51)16-13-23/h1-2,6-7,11-16,20,28-32,51H,3-5,8-10,17-19,21-22H2,(H,46,52)(H,47,54)(H,48,55)(H,49,53)(H4,40,41,44)(H4,42,43,45)/t28-,29-,30+,31+,32-/m0/s1 AVNDVFCGYOONJV-GLZVIBFHSA-N 50092209 CHEMBL3581273 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.5b00216 10.7270/Q29P33CM 26042340 Oishi, S; Kuroyanagi, T; Kubo, T; Montpas, N; Yoshikawa, Y; Misu, R; Kobayashi, Y; Ohno, H; Heveker, N; Furuya, T; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50092209 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50092209&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 122178720 318473183 CHEMBL3581273 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50349444 CN1[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N2CCC[C@H]2C1=O InChI=1S/C40H53N11O6/c1-50-33(23-24-13-16-28(52)17-14-24)36(55)48-30(10-5-19-46-40(43)44)34(53)47-29(9-4-18-45-39(41)42)35(54)49-31(37(56)51-20-6-11-32(51)38(50)57)22-25-12-15-26-7-2-3-8-27(26)21-25/h2-3,7-8,12-17,21,29-33,52H,4-6,9-11,18-20,22-23H2,1H3,(H,47,53)(H,48,55)(H,49,54)(H4,41,42,45)(H4,43,44,46)/t29-,30-,31-,32-,33+/m0/s1 JDGLWFNDVJMART-PMUGGPHNSA-N 50092208 CHEMBL3581274 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.5b00216 10.7270/Q29P33CM 26042340 Oishi, S; Kuroyanagi, T; Kubo, T; Montpas, N; Yoshikawa, Y; Misu, R; Kobayashi, Y; Ohno, H; Heveker, N; Furuya, T; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50092208 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50092208&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 122178721 103990398 CHEMBL3581274 ZINC03199744 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50349445 CN1[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N2CCC[C@H]2C(=O)N[C@H](Cc2ccc(O)cc2)C1=O InChI=1S/C40H53N11O6/c1-50-32(10-5-19-46-40(43)44)35(54)47-29(9-4-18-45-39(41)42)34(53)48-31(23-25-12-15-26-7-2-3-8-27(26)21-25)38(57)51-20-6-11-33(51)36(55)49-30(37(50)56)22-24-13-16-28(52)17-14-24/h2-3,7-8,12-17,21,29-33,52H,4-6,9-11,18-20,22-23H2,1H3,(H,47,54)(H,48,53)(H,49,55)(H4,41,42,45)(H4,43,44,46)/t29-,30+,31-,32-,33-/m0/s1 WXCZKMXUGUDXMV-WUXKFAKNSA-N 50092207 CHEMBL3581275 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.5b00216 10.7270/Q29P33CM 26042340 Oishi, S; Kuroyanagi, T; Kubo, T; Montpas, N; Yoshikawa, Y; Misu, R; Kobayashi, Y; Ohno, H; Heveker, N; Furuya, T; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50092207 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50092207&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 122178722 103990397 CHEMBL3581275 ZINC13813299 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50349446 CN1[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N2CCC[C@H]2C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C1=O InChI=1S/C40H53N11O6/c1-50-32(10-5-19-46-40(43)44)35(54)49-31(23-25-12-15-26-7-2-3-8-27(26)21-25)38(57)51-20-6-11-33(51)36(55)48-30(22-24-13-16-28(52)17-14-24)34(53)47-29(37(50)56)9-4-18-45-39(41)42/h2-3,7-8,12-17,21,29-33,52H,4-6,9-11,18-20,22-23H2,1H3,(H,47,53)(H,48,55)(H,49,54)(H4,41,42,45)(H4,43,44,46)/t29-,30+,31-,32-,33-/m0/s1 LTTCRTAQQFHLPF-WUXKFAKNSA-N 50092206 CHEMBL3581276 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.5b00216 10.7270/Q29P33CM 26042340 Oishi, S; Kuroyanagi, T; Kubo, T; Montpas, N; Yoshikawa, Y; Misu, R; Kobayashi, Y; Ohno, H; Heveker, N; Furuya, T; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50092206 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50092206&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 122178723 103990396 CHEMBL3581276 ZINC13813328 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50349447 CN1[C@@H](Cc2ccc3ccccc3c2)C(=O)N2CCC[C@H]2C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C1=O InChI=1S/C40H53N11O6/c1-50-33(23-25-12-15-26-7-2-3-8-27(26)21-25)38(57)51-20-6-11-32(51)36(55)49-31(22-24-13-16-28(52)17-14-24)35(54)47-29(9-4-18-45-39(41)42)34(53)48-30(37(50)56)10-5-19-46-40(43)44/h2-3,7-8,12-17,21,29-33,52H,4-6,9-11,18-20,22-23H2,1H3,(H,47,54)(H,48,53)(H,49,55)(H4,41,42,45)(H4,43,44,46)/t29-,30-,31+,32-,33-/m0/s1 GCQPVACDQDPWKL-SYJCBOMESA-N 50092205 CHEMBL3581277 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.5b00216 10.7270/Q29P33CM 26042340 Oishi, S; Kuroyanagi, T; Kubo, T; Montpas, N; Yoshikawa, Y; Misu, R; Kobayashi, Y; Ohno, H; Heveker, N; Furuya, T; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50092205 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50092205&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 122178724 103990395 CHEMBL3581277 ZINC13813321 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50349448 CN1[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N2CCC[C@H]2C1=O InChI=1S/C40H53N11O6/c1-50-33(23-24-13-16-28(52)17-14-24)36(55)48-30(10-5-19-46-40(43)44)34(53)47-29(9-4-18-45-39(41)42)35(54)49-31(37(56)51-20-6-11-32(51)38(50)57)22-25-12-15-26-7-2-3-8-27(26)21-25/h2-3,7-8,12-17,21,29-33,52H,4-6,9-11,18-20,22-23H2,1H3,(H,47,53)(H,48,55)(H,49,54)(H4,41,42,45)(H4,43,44,46)/t29-,30-,31-,32-,33-/m0/s1 JDGLWFNDVJMART-ZTTXAYQISA-N 50092204 CHEMBL3581278 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.5b00216 10.7270/Q29P33CM 26042340 Oishi, S; Kuroyanagi, T; Kubo, T; Montpas, N; Yoshikawa, Y; Misu, R; Kobayashi, Y; Ohno, H; Heveker, N; Furuya, T; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50092204 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50092204&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 122178725 103990394 CHEMBL3581278 ZINC13813292 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50349449 CN1[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N2CCC[C@H]2C(=O)N[C@H](Cc2ccc(O)cc2)C1=O InChI=1S/C40H53N11O6/c1-50-32(10-5-19-46-40(43)44)35(54)47-29(9-4-18-45-39(41)42)34(53)48-31(23-25-12-15-26-7-2-3-8-27(26)21-25)38(57)51-20-6-11-33(51)36(55)49-30(37(50)56)22-24-13-16-28(52)17-14-24/h2-3,7-8,12-17,21,29-33,52H,4-6,9-11,18-20,22-23H2,1H3,(H,47,54)(H,48,53)(H,49,55)(H4,41,42,45)(H4,43,44,46)/t29-,30+,31-,32+,33-/m0/s1 WXCZKMXUGUDXMV-AUURQCAXSA-N 50092203 CHEMBL3581279 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.5b00216 10.7270/Q29P33CM 26042340 Oishi, S; Kuroyanagi, T; Kubo, T; Montpas, N; Yoshikawa, Y; Misu, R; Kobayashi, Y; Ohno, H; Heveker, N; Furuya, T; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50092203 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50092203&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 122178726 103990393 CHEMBL3581279 ZINC13813282 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50349450 CN1[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N2CCC[C@H]2C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C1=O InChI=1S/C40H53N11O6/c1-50-32(10-5-19-46-40(43)44)35(54)49-31(23-25-12-15-26-7-2-3-8-27(26)21-25)38(57)51-20-6-11-33(51)36(55)48-30(22-24-13-16-28(52)17-14-24)34(53)47-29(37(50)56)9-4-18-45-39(41)42/h2-3,7-8,12-17,21,29-33,52H,4-6,9-11,18-20,22-23H2,1H3,(H,47,53)(H,48,55)(H,49,54)(H4,41,42,45)(H4,43,44,46)/t29-,30+,31-,32+,33-/m0/s1 LTTCRTAQQFHLPF-AUURQCAXSA-N 50092202 CHEMBL3581280 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.5b00216 10.7270/Q29P33CM 26042340 Oishi, S; Kuroyanagi, T; Kubo, T; Montpas, N; Yoshikawa, Y; Misu, R; Kobayashi, Y; Ohno, H; Heveker, N; Furuya, T; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50092202 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50092202&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 122178727 103990392 CHEMBL3581280 ZINC13813318 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50349451 CN1[C@H](Cc2ccc3ccccc3c2)C(=O)N2CCC[C@H]2C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C1=O InChI=1S/C40H53N11O6/c1-50-33(23-25-12-15-26-7-2-3-8-27(26)21-25)38(57)51-20-6-11-32(51)36(55)49-31(22-24-13-16-28(52)17-14-24)35(54)47-29(9-4-18-45-39(41)42)34(53)48-30(37(50)56)10-5-19-46-40(43)44/h2-3,7-8,12-17,21,29-33,52H,4-6,9-11,18-20,22-23H2,1H3,(H,47,54)(H,48,53)(H,49,55)(H4,41,42,45)(H4,43,44,46)/t29-,30-,31+,32-,33+/m0/s1 GCQPVACDQDPWKL-NKVOBILMSA-N 50092201 CHEMBL3581281 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.5b00216 10.7270/Q29P33CM 26042340 Oishi, S; Kuroyanagi, T; Kubo, T; Montpas, N; Yoshikawa, Y; Misu, R; Kobayashi, Y; Ohno, H; Heveker, N; Furuya, T; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50092201 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50092201&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 122178728 103990391 CHEMBL3581281 ZINC05885618 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50349452 C[C@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@H](CCCNC(N)=N)NC1=O InChI=1S/C34H49N11O5/c1-20-28(46)42-24(10-5-15-39-33(35)36)31(49)44(2)26(11-6-16-40-34(37)38)29(47)43-25(32(50)45-17-7-12-27(45)30(48)41-20)19-21-13-14-22-8-3-4-9-23(22)18-21/h3-4,8-9,13-14,18,20,24-27H,5-7,10-12,15-17,19H2,1-2H3,(H,41,48)(H,42,46)(H,43,47)(H4,35,36,39)(H4,37,38,40)/t20-,24+,25+,26+,27+/m1/s1 FQASEFAOSILIFE-JNRZVTKQSA-N 50092200 CHEMBL3581282 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.5b00216 10.7270/Q29P33CM 26042340 Oishi, S; Kuroyanagi, T; Kubo, T; Montpas, N; Yoshikawa, Y; Misu, R; Kobayashi, Y; Ohno, H; Heveker, N; Furuya, T; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50092200 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50092200&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 122178729 103990390 CHEMBL3581282 ZINC13813296 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50349453 C[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)N(C)C1=O InChI=1S/C37H46N8O6/c1-22-35(50)44(2)30(9-5-17-40-37(38)39)33(48)43-29(21-24-11-14-25-7-3-4-8-26(25)19-24)36(51)45-18-6-10-31(45)34(49)42-28(32(47)41-22)20-23-12-15-27(46)16-13-23/h3-4,7-8,11-16,19,22,28-31,46H,5-6,9-10,17-18,20-21H2,1-2H3,(H,41,47)(H,42,49)(H,43,48)(H4,38,39,40)/t22-,28+,29-,30-,31-/m0/s1 ZWJNZBNMHNBXPR-VGTIASRQSA-N 50092222 CHEMBL3581283 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.5b00216 10.7270/Q29P33CM 26042340 Oishi, S; Kuroyanagi, T; Kubo, T; Montpas, N; Yoshikawa, Y; Misu, R; Kobayashi, Y; Ohno, H; Heveker, N; Furuya, T; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50092222 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50092222&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 122178730 318473196 CHEMBL3581283 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50349454 C[C@@H]1N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O InChI=1S/C37H46N8O6/c1-22-32(47)43-30(21-24-11-14-25-7-3-4-8-26(25)19-24)36(51)45-18-6-10-31(45)34(49)42-29(20-23-12-15-27(46)16-13-23)33(48)41-28(35(50)44(22)2)9-5-17-40-37(38)39/h3-4,7-8,11-16,19,22,28-31,46H,5-6,9-10,17-18,20-21H2,1-2H3,(H,41,48)(H,42,49)(H,43,47)(H4,38,39,40)/t22-,28-,29+,30-,31-/m0/s1 XYLXOFVOZMKNGA-YNYAAZGASA-N 50092223 CHEMBL3581284 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.5b00216 10.7270/Q29P33CM 26042340 Oishi, S; Kuroyanagi, T; Kubo, T; Montpas, N; Yoshikawa, Y; Misu, R; Kobayashi, Y; Ohno, H; Heveker, N; Furuya, T; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50092223 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50092223&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 122178731 318473197 CHEMBL3581284 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50349455 C[C@@H]1NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C1=O InChI=1S/C30H47N11O6/c1-17-27(46)41-15-5-8-23(41)26(45)39-21(16-18-9-11-19(42)12-10-18)24(43)38-20(6-3-13-35-29(31)32)28(47)40(2)22(25(44)37-17)7-4-14-36-30(33)34/h9-12,17,20-23,42H,3-8,13-16H2,1-2H3,(H,37,44)(H,38,43)(H,39,45)(H4,31,32,35)(H4,33,34,36)/t17-,20-,21+,22-,23-/m0/s1 BTIQMJBJPSGGIA-CZIXKKEKSA-N 50092259 CHEMBL3581285 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.5b00216 10.7270/Q29P33CM 26042340 Oishi, S; Kuroyanagi, T; Kubo, T; Montpas, N; Yoshikawa, Y; Misu, R; Kobayashi, Y; Ohno, H; Heveker, N; Furuya, T; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50092259 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50092259&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 122178732 318473198 CHEMBL3581285 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50370985 C[C@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CNC1=O InChI=1S/C30H43N11O5/c1-17-25(43)37-16-24(42)39-23(15-18-10-11-19-6-2-3-7-20(19)14-18)28(46)41-22(9-5-13-36-30(33)34)27(45)40-21(26(44)38-17)8-4-12-35-29(31)32/h2-3,6-7,10-11,14,17,21-23H,4-5,8-9,12-13,15-16H2,1H3,(H,37,43)(H,38,44)(H,39,42)(H,40,45)(H,41,46)(H4,31,32,35)(H4,33,34,36)/t17-,21+,22+,23+/m1/s1 SSVKJORMBVSSPN-SZOBAZRNSA-N 50202341 CHEMBL373420::cyclo(-D-Ala-L-Arg-L-Arg-L-Nal-Gly-) C-X-C chemokine receptor type 4 >1000 ChEMBL 10.1021/jm0607350 10.7270/Q25M65D3 17228861 Ueda, S; Oishi, S; Wang, ZX; Araki, T; Tamamura, H; Cluzeau, J; Ohno, H; Kusano, S; Nakashima, H; Trent, JO; Peiper, SC; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50202341 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50202341&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 44418864 104081918 CHEMBL373420 ZINC44018346 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50370986 NC(N)=NCCC[C@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H]2CCCCN2C(=O)[C@@H](Cc2ccc(O)cc2)NC1=O InChI=1S/C40H53N11O6/c41-39(42)45-18-5-9-29-34(53)47-30(10-6-19-46-40(43)44)35(54)50-32(22-24-13-16-28(52)17-14-24)38(57)51-20-4-3-11-33(51)37(56)49-31(36(55)48-29)23-25-12-15-26-7-1-2-8-27(26)21-25/h1-2,7-8,12-17,21,29-33,52H,3-6,9-11,18-20,22-23H2,(H,47,53)(H,48,55)(H,49,56)(H,50,54)(H4,41,42,45)(H4,43,44,46)/t29-,30+,31-,32+,33+/m0/s1 OGLLNRFCXLYAMK-RGPGAZMKSA-N 50202342 CHEMBL218864::cyclo(-D-Tyr-D-Arg-L-Arg-L-Nal-D-Pic-) C-X-C chemokine receptor type 4 >1000 ChEMBL 10.1021/jm0607350 10.7270/Q25M65D3 17228861 Ueda, S; Oishi, S; Wang, ZX; Araki, T; Tamamura, H; Cluzeau, J; Ohno, H; Kusano, S; Nakashima, H; Trent, JO; Peiper, SC; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50202342 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50202342&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 44418884 104081919 CHEMBL218864 ZINC95606961 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50370987 C[C@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CNC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O InChI=1S/C33H40N8O6/c1-19-29(44)41-26(16-20-9-12-24(42)13-10-20)30(45)37-18-28(43)39-27(17-21-8-11-22-5-2-3-6-23(22)15-21)32(47)40-25(31(46)38-19)7-4-14-36-33(34)35/h2-3,5-6,8-13,15,19,25-27,42H,4,7,14,16-18H2,1H3,(H,37,45)(H,38,46)(H,39,43)(H,40,47)(H,41,44)(H4,34,35,36)/t19-,25+,26-,27+/m1/s1 KSQLRHSLMODJAS-ABXDHCHGSA-N 50202343 CHEMBL384429::cyclo(-D-Tyr-D-Ala-L-Arg-L-Nal-Gly-) C-X-C chemokine receptor type 4 230 ChEMBL 10.1021/jm0607350 10.7270/Q25M65D3 17228861 Ueda, S; Oishi, S; Wang, ZX; Araki, T; Tamamura, H; Cluzeau, J; Ohno, H; Kusano, S; Nakashima, H; Trent, JO; Peiper, SC; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50202343 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50202343&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 44418869 104081920 CHEMBL384429 ZINC49780045 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50370988 C[C@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O InChI=1S/C37H49N11O6/c1-21-31(50)47-30(20-23-10-13-24-6-2-3-7-25(24)18-23)35(54)46-27(8-4-16-42-36(38)39)32(51)45-28(9-5-17-43-37(40)41)33(52)48-29(34(53)44-21)19-22-11-14-26(49)15-12-22/h2-3,6-7,10-15,18,21,27-30,49H,4-5,8-9,16-17,19-20H2,1H3,(H,44,53)(H,45,51)(H,46,54)(H,47,50)(H,48,52)(H4,38,39,42)(H4,40,41,43)/t21-,27+,28-,29-,30+/m1/s1 VWZBFEAQYFTPKH-UIMYGGOYSA-N 50202345 CHEMBL373636::cyclo(-D-Tyr-D-Arg-L-Arg-L-Nal-D-Ala-) C-X-C chemokine receptor type 4 11 ChEMBL 10.1021/jm0607350 10.7270/Q25M65D3 17228861 Ueda, S; Oishi, S; Wang, ZX; Araki, T; Tamamura, H; Cluzeau, J; Ohno, H; Kusano, S; Nakashima, H; Trent, JO; Peiper, SC; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50202345 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50202345&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 44418880 104081922 CHEMBL373636 ZINC49776222 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50370989 CN1[C@H](Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](CCCN=C(N)N)C1=O InChI=1S/C37H49N11O6/c1-48-30(20-22-11-14-26(49)15-12-22)34(53)44-21-31(50)45-29(19-23-10-13-24-6-2-3-7-25(24)18-23)33(52)46-27(8-4-16-42-36(38)39)32(51)47-28(35(48)54)9-5-17-43-37(40)41/h2-3,6-7,10-15,18,27-30,49H,4-5,8-9,16-17,19-21H2,1H3,(H,44,53)(H,45,50)(H,46,52)(H,47,51)(H4,38,39,42)(H4,40,41,43)/t27-,28+,29-,30+/m0/s1 KKHZUKILPGNUFR-RRGQHJHPSA-N 50202348 CHEMBL375993::cyclo(-D-MeTyr-D-Arg-L-Arg-L-Nal-Gly-) C-X-C chemokine receptor type 4 157 ChEMBL 10.1021/jm0607350 10.7270/Q25M65D3 17228861 Ueda, S; Oishi, S; Wang, ZX; Araki, T; Tamamura, H; Cluzeau, J; Ohno, H; Kusano, S; Nakashima, H; Trent, JO; Peiper, SC; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50202348 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50202348&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 44418891 104081925 CHEMBL375993 ZINC49778238 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50370990 NC(N)=NCCC[C@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CNC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O InChI=1S/C36H47N11O6/c37-35(38)41-15-3-7-26-32(51)45-27(8-4-16-42-36(39)40)33(52)47-28(18-21-10-13-25(48)14-11-21)31(50)43-20-30(49)44-29(34(53)46-26)19-22-9-12-23-5-1-2-6-24(23)17-22/h1-2,5-6,9-14,17,26-29,48H,3-4,7-8,15-16,18-20H2,(H,43,50)(H,44,49)(H,45,51)(H,46,53)(H,47,52)(H4,37,38,41)(H4,39,40,42)/t26-,27+,28+,29-/m0/s1 YASYVKCWJGCXLS-AUAHOFGGSA-N 50202346 CHEMBL219339::cyclo(-D-Tyr-D-Arg-L-Arg-L-Nal-Gly-) C-X-C chemokine receptor type 4 8 ChEMBL 10.1021/jm0607350 10.7270/Q25M65D3 17228861 Ueda, S; Oishi, S; Wang, ZX; Araki, T; Tamamura, H; Cluzeau, J; Ohno, H; Kusano, S; Nakashima, H; Trent, JO; Peiper, SC; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50202346 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50202346&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 11331592 104081923 CHEMBL219339 ZINC49942432 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50370991 NC(N)=NCCC[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CNC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O InChI=1S/C36H47N11O6/c37-35(38)41-15-3-7-26-32(51)45-27(8-4-16-42-36(39)40)33(52)47-28(18-21-10-13-25(48)14-11-21)31(50)43-20-30(49)44-29(34(53)46-26)19-22-9-12-23-5-1-2-6-24(23)17-22/h1-2,5-6,9-14,17,26-29,48H,3-4,7-8,15-16,18-20H2,(H,43,50)(H,44,49)(H,45,51)(H,46,53)(H,47,52)(H4,37,38,41)(H4,39,40,42)/t26-,27-,28+,29-/m0/s1 YASYVKCWJGCXLS-FKWFRFQNSA-N 50202350 CHEMBL219474::cyclo(-D-Tyr-L-Arg-L-Arg-L-Nal-Gly-) C-X-C chemokine receptor type 4 4 ChEMBL 10.1021/jm0607350 10.7270/Q25M65D3 17228861 Ueda, S; Oishi, S; Wang, ZX; Araki, T; Tamamura, H; Cluzeau, J; Ohno, H; Kusano, S; Nakashima, H; Trent, JO; Peiper, SC; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50202350 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50202350&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 11158428 104081927 CHEMBL219474 ZINC49942459 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50370992 NC(N)=NCCC[C@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCCN2C(=O)[C@@H](Cc2ccc(O)cc2)NC1=O InChI=1S/C40H53N11O6/c41-39(42)45-18-5-9-29-34(53)47-30(10-6-19-46-40(43)44)35(54)50-32(22-24-13-16-28(52)17-14-24)38(57)51-20-4-3-11-33(51)37(56)49-31(36(55)48-29)23-25-12-15-26-7-1-2-8-27(26)21-25/h1-2,7-8,12-17,21,29-33,52H,3-6,9-11,18-20,22-23H2,(H,47,53)(H,48,55)(H,49,56)(H,50,54)(H4,41,42,45)(H4,43,44,46)/t29-,30+,31-,32+,33-/m0/s1 OGLLNRFCXLYAMK-AUURQCAXSA-N 50202353 CHEMBL373637::cyclo(-D-Tyr-D-Arg-L-Arg-L-Nal-L-Pic-) C-X-C chemokine receptor type 4 640 ChEMBL 10.1021/jm0607350 10.7270/Q25M65D3 17228861 Ueda, S; Oishi, S; Wang, ZX; Araki, T; Tamamura, H; Cluzeau, J; Ohno, H; Kusano, S; Nakashima, H; Trent, JO; Peiper, SC; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50202353 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50202353&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 44418883 104081930 CHEMBL373637 ZINC95612748 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50370993 NC(N)=NCCC[C@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H]2CCCN2C(=O)[C@@H](Cc2ccc(O)cc2)NC1=O InChI=1S/C39H51N11O6/c40-38(41)44-17-3-8-28-33(52)46-29(9-4-18-45-39(42)43)34(53)49-31(21-23-12-15-27(51)16-13-23)37(56)50-19-5-10-32(50)36(55)48-30(35(54)47-28)22-24-11-14-25-6-1-2-7-26(25)20-24/h1-2,6-7,11-16,20,28-32,51H,3-5,8-10,17-19,21-22H2,(H,46,52)(H,47,54)(H,48,55)(H,49,53)(H4,40,41,44)(H4,42,43,45)/t28-,29+,30-,31+,32+/m0/s1 ZEZHSLWWPOEWOT-KVUXJRKHSA-N 50202354 CHEMBL218972::cyclo(-D-Tyr-D-Arg-L-Arg-L-Nal-D-Pro-) C-X-C chemokine receptor type 4 >1000 ChEMBL 10.1021/jm0607350 10.7270/Q25M65D3 17228861 Ueda, S; Oishi, S; Wang, ZX; Araki, T; Tamamura, H; Cluzeau, J; Ohno, H; Kusano, S; Nakashima, H; Trent, JO; Peiper, SC; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50202354 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50202354&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 44418882 104081931 CHEMBL218972 ZINC95606965 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50370994 NC(N)=NCCC[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccc(O)cc2)NC1=O InChI=1S/C39H51N11O6/c40-38(41)44-17-3-8-28-33(52)46-29(9-4-18-45-39(42)43)34(53)49-31(21-23-12-15-27(51)16-13-23)37(56)50-19-5-10-32(50)36(55)48-30(35(54)47-28)22-24-11-14-25-6-1-2-7-26(25)20-24/h1-2,6-7,11-16,20,28-32,51H,3-5,8-10,17-19,21-22H2,(H,46,52)(H,47,54)(H,48,55)(H,49,53)(H4,40,41,44)(H4,42,43,45)/t28-,29-,30-,31+,32-/m0/s1 ZEZHSLWWPOEWOT-NRQMHRBESA-N 50202358 CHEMBL387121::cyclo(-D-Tyr-L-Arg-L-Arg-L-Nal-L-Pro-) C-X-C chemokine receptor type 4 >1000 ChEMBL 10.1021/jm0607350 10.7270/Q25M65D3 17228861 Ueda, S; Oishi, S; Wang, ZX; Araki, T; Tamamura, H; Cluzeau, J; Ohno, H; Kusano, S; Nakashima, H; Trent, JO; Peiper, SC; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50202358 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50202358&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 44418874 104081935 CHEMBL387121 ZINC95541378 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50370995 C[C@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O InChI=1S/C37H49N11O6/c1-21-31(50)47-30(20-23-10-13-24-6-2-3-7-25(24)18-23)35(54)46-27(8-4-16-42-36(38)39)32(51)45-28(9-5-17-43-37(40)41)33(52)48-29(34(53)44-21)19-22-11-14-26(49)15-12-22/h2-3,6-7,10-15,18,21,27-30,49H,4-5,8-9,16-17,19-20H2,1H3,(H,44,53)(H,45,51)(H,46,54)(H,47,50)(H,48,52)(H4,38,39,42)(H4,40,41,43)/t21-,27+,28+,29-,30+/m1/s1 VWZBFEAQYFTPKH-CSHHCLTFSA-N 50202359 CHEMBL375990::cyclo(-D-Tyr-L-Arg-L-Arg-L-Nal-D-Ala-) C-X-C chemokine receptor type 4 11 ChEMBL 10.1021/jm0607350 10.7270/Q25M65D3 17228861 Ueda, S; Oishi, S; Wang, ZX; Araki, T; Tamamura, H; Cluzeau, J; Ohno, H; Kusano, S; Nakashima, H; Trent, JO; Peiper, SC; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50202359 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50202359&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 44418873 104081936 CHEMBL375990 ZINC49778220 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50370996 CN1CC(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](Cc2ccc(O)cc2)C1=O InChI=1S/C37H49N11O6/c1-48-21-31(50)44-29(20-23-10-13-24-6-2-3-7-25(24)18-23)34(53)46-27(8-4-16-42-36(38)39)32(51)45-28(9-5-17-43-37(40)41)33(52)47-30(35(48)54)19-22-11-14-26(49)15-12-22/h2-3,6-7,10-15,18,27-30,49H,4-5,8-9,16-17,19-21H2,1H3,(H,44,50)(H,45,51)(H,46,53)(H,47,52)(H4,38,39,42)(H4,40,41,43)/t27-,28+,29-,30+/m0/s1 RVFLZIGZHRQETC-RRGQHJHPSA-N 50202362 CHEMBL374862::cyclo(-D-Tyr-D-Arg-L-Arg-L-Nal-Sar-) C-X-C chemokine receptor type 4 256 ChEMBL 10.1021/jm0607350 10.7270/Q25M65D3 17228861 Ueda, S; Oishi, S; Wang, ZX; Araki, T; Tamamura, H; Cluzeau, J; Ohno, H; Kusano, S; Nakashima, H; Trent, JO; Peiper, SC; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50202362 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50202362&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 44418895 104081939 CHEMBL374862 ZINC49776230 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50370997 CN1[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)NCC1=O InChI=1S/C37H49N11O6/c1-48-30(20-23-10-13-24-6-2-3-7-25(24)18-23)35(54)46-28(9-5-17-43-37(40)41)33(52)45-27(8-4-16-42-36(38)39)34(53)47-29(32(51)44-21-31(48)50)19-22-11-14-26(49)15-12-22/h2-3,6-7,10-15,18,27-30,49H,4-5,8-9,16-17,19-21H2,1H3,(H,44,51)(H,45,52)(H,46,54)(H,47,53)(H4,38,39,42)(H4,40,41,43)/t27-,28+,29-,30+/m1/s1 XUKFERKCRCTLBJ-ATIZSFMBSA-N 50202363 CHEMBL426169::cyclo(-D-Tyr-D-Arg-L-Arg-L-MeNal-Gly-) C-X-C chemokine receptor type 4 563 ChEMBL 10.1021/jm0607350 10.7270/Q25M65D3 17228861 Ueda, S; Oishi, S; Wang, ZX; Araki, T; Tamamura, H; Cluzeau, J; Ohno, H; Kusano, S; Nakashima, H; Trent, JO; Peiper, SC; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50202363 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50202363&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 44418894 104081940 CHEMBL426169 ZINC49807586 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50370998 C[C@@H]1NC(=O)CNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC1=O InChI=1S/C26H41N11O6/c1-14-21(40)35-17(4-2-10-31-25(27)28)23(42)36-18(5-3-11-32-26(29)30)24(43)37-19(22(41)33-13-20(39)34-14)12-15-6-8-16(38)9-7-15/h6-9,14,17-19,38H,2-5,10-13H2,1H3,(H,33,41)(H,34,39)(H,35,40)(H,36,42)(H,37,43)(H4,27,28,31)(H4,29,30,32)/t14-,17-,18+,19+/m0/s1 VYIHOVLWJMQDKM-WQANXHIZSA-N 50202364 CHEMBL218862::cyclo(-D-Tyr-D-Arg-L-Arg-L-Ala-Gly-) C-X-C chemokine receptor type 4 >1000 ChEMBL 10.1021/jm0607350 10.7270/Q25M65D3 17228861 Ueda, S; Oishi, S; Wang, ZX; Araki, T; Tamamura, H; Cluzeau, J; Ohno, H; Kusano, S; Nakashima, H; Trent, JO; Peiper, SC; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50202364 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50202364&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 44418871 104081941 CHEMBL218862 ZINC43543925 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50370999 C[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O InChI=1S/C37H49N11O6/c1-21-31(50)47-30(20-23-10-13-24-6-2-3-7-25(24)18-23)35(54)46-27(8-4-16-42-36(38)39)32(51)45-28(9-5-17-43-37(40)41)33(52)48-29(34(53)44-21)19-22-11-14-26(49)15-12-22/h2-3,6-7,10-15,18,21,27-30,49H,4-5,8-9,16-17,19-20H2,1H3,(H,44,53)(H,45,51)(H,46,54)(H,47,50)(H,48,52)(H4,38,39,42)(H4,40,41,43)/t21-,27-,28-,29+,30-/m0/s1 VWZBFEAQYFTPKH-JTIXJMNMSA-N 50202361 CHEMBL387120::cyclo(-D-Tyr-L-Arg-L-Arg-L-Nal-L-Ala-) C-X-C chemokine receptor type 4 170 ChEMBL 10.1021/jm0607350 10.7270/Q25M65D3 17228861 Ueda, S; Oishi, S; Wang, ZX; Araki, T; Tamamura, H; Cluzeau, J; Ohno, H; Kusano, S; Nakashima, H; Trent, JO; Peiper, SC; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50202361 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50202361&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 44418872 104081938 CHEMBL387120 ZINC49780177 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50371000 C[C@H]1NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CNC1=O InChI=1S/C30H43N11O5/c1-17-25(43)37-16-24(42)39-23(15-18-10-11-19-6-2-3-7-20(19)14-18)28(46)41-22(9-5-13-36-30(33)34)27(45)40-21(26(44)38-17)8-4-12-35-29(31)32/h2-3,6-7,10-11,14,17,21-23H,4-5,8-9,12-13,15-16H2,1H3,(H,37,43)(H,38,44)(H,39,42)(H,40,45)(H,41,46)(H4,31,32,35)(H4,33,34,36)/t17-,21-,22+,23+/m1/s1 SSVKJORMBVSSPN-DZWOVHDNSA-N 50202357 CHEMBL373440::cyclo(-D-Ala-D-Arg-L-Arg-L-Nal-Gly-) C-X-C chemokine receptor type 4 130 ChEMBL 10.1021/jm0607350 10.7270/Q25M65D3 17228861 Ueda, S; Oishi, S; Wang, ZX; Araki, T; Tamamura, H; Cluzeau, J; Ohno, H; Kusano, S; Nakashima, H; Trent, JO; Peiper, SC; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50202357 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50202357&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 44418868 104081934 CHEMBL373440 ZINC36179505 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50371001 CN1[C@H](Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C1=O InChI=1S/C37H49N11O6/c1-48-30(20-22-11-14-26(49)15-12-22)34(53)44-21-31(50)45-29(19-23-10-13-24-6-2-3-7-25(24)18-23)33(52)46-27(8-4-16-42-36(38)39)32(51)47-28(35(48)54)9-5-17-43-37(40)41/h2-3,6-7,10-15,18,27-30,49H,4-5,8-9,16-17,19-21H2,1H3,(H,44,53)(H,45,50)(H,46,52)(H,47,51)(H4,38,39,42)(H4,40,41,43)/t27-,28-,29-,30+/m0/s1 KKHZUKILPGNUFR-GCXHJFECSA-N 50202366 CHEMBL219096::cyclo(-D-MeTyr-L-Arg-L-Arg-L-Nal-Gly-) C-X-C chemokine receptor type 4 128 ChEMBL 10.1021/jm0607350 10.7270/Q25M65D3 17228861 Ueda, S; Oishi, S; Wang, ZX; Araki, T; Tamamura, H; Cluzeau, J; Ohno, H; Kusano, S; Nakashima, H; Trent, JO; Peiper, SC; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50202366 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50202366&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 44418886 104081943 CHEMBL219096 ZINC49942435 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50371002 CN1[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CCCN=C(N)N)C1=O InChI=1S/C37H49N11O6/c1-48-30(9-5-17-43-37(40)41)34(53)47-28(19-22-11-14-26(49)15-12-22)32(51)44-21-31(50)45-29(20-23-10-13-24-6-2-3-7-25(24)18-23)33(52)46-27(35(48)54)8-4-16-42-36(38)39/h2-3,6-7,10-15,18,27-30,49H,4-5,8-9,16-17,19-21H2,1H3,(H,44,51)(H,45,50)(H,46,52)(H,47,53)(H4,38,39,42)(H4,40,41,43)/t27-,28+,29-,30-/m0/s1 ACYXHFQQOQRMGX-XJYHXZFBSA-N 50202365 CHEMBL374421::cyclo(-D-Tyr-L-MeArg-L-Arg-L-Nal-Gly-) C-X-C chemokine receptor type 4 23 ChEMBL 10.1021/jm0607350 10.7270/Q25M65D3 17228861 Ueda, S; Oishi, S; Wang, ZX; Araki, T; Tamamura, H; Cluzeau, J; Ohno, H; Kusano, S; Nakashima, H; Trent, JO; Peiper, SC; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50202365 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50202365&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 44418887 104081942 CHEMBL374421 ZINC49776220 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50371003 CN1[C@H](CCCN=C(N)N)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CCCN=C(N)N)C1=O InChI=1S/C37H49N11O6/c1-48-30(9-5-17-43-37(40)41)34(53)47-28(19-22-11-14-26(49)15-12-22)32(51)44-21-31(50)45-29(20-23-10-13-24-6-2-3-7-25(24)18-23)33(52)46-27(35(48)54)8-4-16-42-36(38)39/h2-3,6-7,10-15,18,27-30,49H,4-5,8-9,16-17,19-21H2,1H3,(H,44,51)(H,45,50)(H,46,52)(H,47,53)(H4,38,39,42)(H4,40,41,43)/t27-,28+,29-,30+/m0/s1 ACYXHFQQOQRMGX-RRGQHJHPSA-N 50202356 CHEMBL218806::cyclo(-D-Tyr-D-MeArg-L-Arg-L-Nal-Gly-) C-X-C chemokine receptor type 4 3 ChEMBL 10.1021/jm0607350 10.7270/Q25M65D3 17228861 Ueda, S; Oishi, S; Wang, ZX; Araki, T; Tamamura, H; Cluzeau, J; Ohno, H; Kusano, S; Nakashima, H; Trent, JO; Peiper, SC; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50202356 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50202356&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 44418892 104081933 CHEMBL218806 ZINC49942454 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50371004 CN1[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)NCC1=O InChI=1S/C37H49N11O6/c1-48-30(20-23-10-13-24-6-2-3-7-25(24)18-23)35(54)46-28(9-5-17-43-37(40)41)33(52)45-27(8-4-16-42-36(38)39)34(53)47-29(32(51)44-21-31(48)50)19-22-11-14-26(49)15-12-22/h2-3,6-7,10-15,18,27-30,49H,4-5,8-9,16-17,19-21H2,1H3,(H,44,51)(H,45,52)(H,46,54)(H,47,53)(H4,38,39,42)(H4,40,41,43)/t27-,28-,29+,30-/m0/s1 XUKFERKCRCTLBJ-ZXYZSCNASA-N 50202368 CHEMBL375850::cyclo(-D-Tyr-L-Arg-L-Arg-L-MeNal-Gly-) C-X-C chemokine receptor type 4 250 ChEMBL 10.1021/jm0607350 10.7270/Q25M65D3 17228861 Ueda, S; Oishi, S; Wang, ZX; Araki, T; Tamamura, H; Cluzeau, J; Ohno, H; Kusano, S; Nakashima, H; Trent, JO; Peiper, SC; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50202368 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50202368&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 44418889 104081945 CHEMBL375850 ZINC49778149 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50371005 C[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCN=C(N)N)NC1=O InChI=1S/C33H40N8O6/c1-19-29(44)40-25(7-4-14-36-33(34)35)31(46)41-26(16-20-9-12-24(42)13-10-20)30(45)37-18-28(43)39-27(32(47)38-19)17-21-8-11-22-5-2-3-6-23(22)15-21/h2-3,5-6,8-13,15,19,25-27,42H,4,7,14,16-18H2,1H3,(H,37,45)(H,38,47)(H,39,43)(H,40,44)(H,41,46)(H4,34,35,36)/t19-,25-,26+,27-/m0/s1 QQWQYHBNRPWHMR-OQVMAISDSA-N 50202349 CHEMBL218771::cyclo(-D-Tyr-L-Arg-L-Ala-L-Nal-Gly-) C-X-C chemokine receptor type 4 >1000 ChEMBL 10.1021/jm0607350 10.7270/Q25M65D3 17228861 Ueda, S; Oishi, S; Wang, ZX; Araki, T; Tamamura, H; Cluzeau, J; Ohno, H; Kusano, S; Nakashima, H; Trent, JO; Peiper, SC; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50202349 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50202349&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 44418866 104081926 CHEMBL218771 ZINC49942443 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50371006 C[C@@H]1NC(=O)CNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC1=O InChI=1S/C26H41N11O6/c1-14-21(40)35-17(4-2-10-31-25(27)28)23(42)36-18(5-3-11-32-26(29)30)24(43)37-19(22(41)33-13-20(39)34-14)12-15-6-8-16(38)9-7-15/h6-9,14,17-19,38H,2-5,10-13H2,1H3,(H,33,41)(H,34,39)(H,35,40)(H,36,42)(H,37,43)(H4,27,28,31)(H4,29,30,32)/t14-,17-,18-,19+/m0/s1 VYIHOVLWJMQDKM-UDTPNQRGSA-N 50202369 CHEMBL376513::cyclo(-D-Tyr-L-Arg-L-Arg-L-Ala-Gly-) C-X-C chemokine receptor type 4 >1000 ChEMBL 10.1021/jm0607350 10.7270/Q25M65D3 17228861 Ueda, S; Oishi, S; Wang, ZX; Araki, T; Tamamura, H; Cluzeau, J; Ohno, H; Kusano, S; Nakashima, H; Trent, JO; Peiper, SC; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50202369 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50202369&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 44418867 104081946 CHEMBL376513 ZINC44031960 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50371007 C[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CNC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O InChI=1S/C33H40N8O6/c1-19-29(44)41-26(16-20-9-12-24(42)13-10-20)30(45)37-18-28(43)39-27(17-21-8-11-22-5-2-3-6-23(22)15-21)32(47)40-25(31(46)38-19)7-4-14-36-33(34)35/h2-3,5-6,8-13,15,19,25-27,42H,4,7,14,16-18H2,1H3,(H,37,45)(H,38,46)(H,39,43)(H,40,47)(H,41,44)(H4,34,35,36)/t19-,25-,26+,27-/m0/s1 KSQLRHSLMODJAS-OQVMAISDSA-N 50202367 CHEMBL374108::cyclo(-D-Tyr-L-Ala-L-Arg-L-Nal-Gly-) C-X-C chemokine receptor type 4 63 ChEMBL 10.1021/jm0607350 10.7270/Q25M65D3 17228861 Ueda, S; Oishi, S; Wang, ZX; Araki, T; Tamamura, H; Cluzeau, J; Ohno, H; Kusano, S; Nakashima, H; Trent, JO; Peiper, SC; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50202367 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50202367&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 44418865 104081944 CHEMBL374108 ZINC49776302 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50371008 C[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O InChI=1S/C37H49N11O6/c1-21-31(50)47-30(20-23-10-13-24-6-2-3-7-25(24)18-23)35(54)46-27(8-4-16-42-36(38)39)32(51)45-28(9-5-17-43-37(40)41)33(52)48-29(34(53)44-21)19-22-11-14-26(49)15-12-22/h2-3,6-7,10-15,18,21,27-30,49H,4-5,8-9,16-17,19-20H2,1H3,(H,44,53)(H,45,51)(H,46,54)(H,47,50)(H,48,52)(H4,38,39,42)(H4,40,41,43)/t21-,27-,28+,29+,30-/m0/s1 VWZBFEAQYFTPKH-DXQNDIIUSA-N 50202360 CHEMBL376811::cyclo(-D-Tyr-D-Arg-L-Arg-L-Nal-L-Ala-) C-X-C chemokine receptor type 4 92 ChEMBL 10.1021/jm0607350 10.7270/Q25M65D3 17228861 Ueda, S; Oishi, S; Wang, ZX; Araki, T; Tamamura, H; Cluzeau, J; Ohno, H; Kusano, S; Nakashima, H; Trent, JO; Peiper, SC; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50202360 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50202360&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 44418879 104081937 CHEMBL376811 ZINC49776340 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50371009 CN1[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccc3ccccc3c2)C1=O InChI=1S/C37H49N11O6/c1-48-30(9-5-17-43-37(40)41)34(53)46-27(8-4-16-42-36(38)39)33(52)47-28(19-22-11-14-26(49)15-12-22)32(51)44-21-31(50)45-29(35(48)54)20-23-10-13-24-6-2-3-7-25(24)18-23/h2-3,6-7,10-15,18,27-30,49H,4-5,8-9,16-17,19-21H2,1H3,(H,44,51)(H,45,50)(H,46,53)(H,47,52)(H4,38,39,42)(H4,40,41,43)/t27-,28+,29-,30-/m0/s1 UYLRGPNGYHIOPK-XJYHXZFBSA-N 50202351 CHEMBL436536::cyclo(-D-Tyr-L-Arg-L-MeArg-L-Nal-Gly-) C-X-C chemokine receptor type 4 99 ChEMBL 10.1021/jm0607350 10.7270/Q25M65D3 17228861 Ueda, S; Oishi, S; Wang, ZX; Araki, T; Tamamura, H; Cluzeau, J; Ohno, H; Kusano, S; Nakashima, H; Trent, JO; Peiper, SC; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50202351 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50202351&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 44418888 104081928 CHEMBL436536 ZINC49817684 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50371010 NC(N)=NCCC[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCCN2C(=O)[C@@H](Cc2ccc(O)cc2)NC1=O InChI=1S/C40H53N11O6/c41-39(42)45-18-5-9-29-34(53)47-30(10-6-19-46-40(43)44)35(54)50-32(22-24-13-16-28(52)17-14-24)38(57)51-20-4-3-11-33(51)37(56)49-31(36(55)48-29)23-25-12-15-26-7-1-2-8-27(26)21-25/h1-2,7-8,12-17,21,29-33,52H,3-6,9-11,18-20,22-23H2,(H,47,53)(H,48,55)(H,49,56)(H,50,54)(H4,41,42,45)(H4,43,44,46)/t29-,30-,31-,32+,33-/m0/s1 OGLLNRFCXLYAMK-AGGIAQGOSA-N 50202370 CHEMBL218863::cyclo(-D-Tyr-L-Arg-L-Arg-L-Nal-L-Pic-) C-X-C chemokine receptor type 4 >1000 ChEMBL 10.1021/jm0607350 10.7270/Q25M65D3 17228861 Ueda, S; Oishi, S; Wang, ZX; Araki, T; Tamamura, H; Cluzeau, J; Ohno, H; Kusano, S; Nakashima, H; Trent, JO; Peiper, SC; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50202370 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50202370&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 44418876 104081947 CHEMBL218863 ZINC95606960 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50371011 NC(N)=NCCC[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H]2CCCCN2C(=O)[C@@H](Cc2ccc(O)cc2)NC1=O InChI=1S/C40H53N11O6/c41-39(42)45-18-5-9-29-34(53)47-30(10-6-19-46-40(43)44)35(54)50-32(22-24-13-16-28(52)17-14-24)38(57)51-20-4-3-11-33(51)37(56)49-31(36(55)48-29)23-25-12-15-26-7-1-2-8-27(26)21-25/h1-2,7-8,12-17,21,29-33,52H,3-6,9-11,18-20,22-23H2,(H,47,53)(H,48,55)(H,49,56)(H,50,54)(H4,41,42,45)(H4,43,44,46)/t29-,30-,31-,32+,33+/m0/s1 OGLLNRFCXLYAMK-IJLINHMISA-N 50202372 CHEMBL375168::cyclo(-D-Tyr-L-Arg-L-Arg-L-Nal-D-Pic-) C-X-C chemokine receptor type 4 >1000 ChEMBL 10.1021/jm0607350 10.7270/Q25M65D3 17228861 Ueda, S; Oishi, S; Wang, ZX; Araki, T; Tamamura, H; Cluzeau, J; Ohno, H; Kusano, S; Nakashima, H; Trent, JO; Peiper, SC; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50202372 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50202372&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 44418877 104081949 CHEMBL375168 ZINC95612781 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50371012 NC(N)=NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CCNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CCCN=C(N)N)NC1=O InChI=1S/C37H49N11O6/c38-36(39)43-16-3-7-27-33(52)46-28(8-4-17-44-37(40)41)34(53)48-29(20-22-10-13-26(49)14-11-22)32(51)42-18-15-31(50)45-30(35(54)47-27)21-23-9-12-24-5-1-2-6-25(24)19-23/h1-2,5-6,9-14,19,27-30,49H,3-4,7-8,15-18,20-21H2,(H,42,51)(H,45,50)(H,46,52)(H,47,54)(H,48,53)(H4,38,39,43)(H4,40,41,44)/t27-,28+,29+,30-/m0/s1 LMVXXKJNXQKPHR-KJHMZRPRSA-N 50202355 CHEMBL219135::cyclo(-D-Tyr-D-Arg-L-Arg-L-Nal-beta-Ala-) C-X-C chemokine receptor type 4 350 ChEMBL 10.1021/jm0607350 10.7270/Q25M65D3 17228861 Ueda, S; Oishi, S; Wang, ZX; Araki, T; Tamamura, H; Cluzeau, J; Ohno, H; Kusano, S; Nakashima, H; Trent, JO; Peiper, SC; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50202355 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50202355&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 44418885 104081932 CHEMBL219135 ZINC49942433 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50371013 C[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CCCN=C(N)N)NC1=O InChI=1S/C33H40N8O6/c1-19-29(44)40-25(7-4-14-36-33(34)35)31(46)41-26(16-20-9-12-24(42)13-10-20)30(45)37-18-28(43)39-27(32(47)38-19)17-21-8-11-22-5-2-3-6-23(22)15-21/h2-3,5-6,8-13,15,19,25-27,42H,4,7,14,16-18H2,1H3,(H,37,45)(H,38,47)(H,39,43)(H,40,44)(H,41,46)(H4,34,35,36)/t19-,25+,26+,27-/m0/s1 QQWQYHBNRPWHMR-QFVISEIPSA-N 50202352 CHEMBL444094::cyclo(-D-Tyr-D-Arg-L-Ala-L-Nal-Gly-) C-X-C chemokine receptor type 4 >1000 ChEMBL 10.1021/jm0607350 10.7270/Q25M65D3 17228861 Ueda, S; Oishi, S; Wang, ZX; Araki, T; Tamamura, H; Cluzeau, J; Ohno, H; Kusano, S; Nakashima, H; Trent, JO; Peiper, SC; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50202352 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50202352&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 44418870 104081929 CHEMBL444094 ZINC49833011 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50371014 NC(N)=NCCC[C@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccc(O)cc2)NC1=O InChI=1S/C39H51N11O6/c40-38(41)44-17-3-8-28-33(52)46-29(9-4-18-45-39(42)43)34(53)49-31(21-23-12-15-27(51)16-13-23)37(56)50-19-5-10-32(50)36(55)48-30(35(54)47-28)22-24-11-14-25-6-1-2-7-26(25)20-24/h1-2,6-7,11-16,20,28-32,51H,3-5,8-10,17-19,21-22H2,(H,46,52)(H,47,54)(H,48,55)(H,49,53)(H4,40,41,44)(H4,42,43,45)/t28-,29+,30-,31+,32-/m0/s1 ZEZHSLWWPOEWOT-YTSIGKGGSA-N 50202371 CHEMBL375992::cyclo(-D-Tyr-D-Arg-L-Arg-L-Nal-L-Pro-) C-X-C chemokine receptor type 4 >1000 ChEMBL 10.1021/jm0607350 10.7270/Q25M65D3 17228861 Ueda, S; Oishi, S; Wang, ZX; Araki, T; Tamamura, H; Cluzeau, J; Ohno, H; Kusano, S; Nakashima, H; Trent, JO; Peiper, SC; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50202371 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50202371&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 44418881 104081948 CHEMBL375992 ZINC95544114 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50371015 CN1[C@@H](CCCN=C(N)N)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccc3ccccc3c2)C1=O InChI=1S/C37H49N11O6/c1-48-30(9-5-17-43-37(40)41)34(53)46-27(8-4-16-42-36(38)39)33(52)47-28(19-22-11-14-26(49)15-12-22)32(51)44-21-31(50)45-29(35(48)54)20-23-10-13-24-6-2-3-7-25(24)18-23/h2-3,6-7,10-15,18,27-30,49H,4-5,8-9,16-17,19-21H2,1H3,(H,44,51)(H,45,50)(H,46,53)(H,47,52)(H4,38,39,42)(H4,40,41,43)/t27-,28-,29+,30+/m1/s1 UYLRGPNGYHIOPK-XAZDILKDSA-N 50202347 CHEMBL376219::cyclo(-D-Tyr-D-Arg-L-MeArg-L-Nal-Gly-) C-X-C chemokine receptor type 4 21 ChEMBL 10.1021/jm0607350 10.7270/Q25M65D3 17228861 Ueda, S; Oishi, S; Wang, ZX; Araki, T; Tamamura, H; Cluzeau, J; Ohno, H; Kusano, S; Nakashima, H; Trent, JO; Peiper, SC; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50202347 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50202347&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 44418893 104081924 CHEMBL376219 ZINC49778193 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50371016 NC(N)=NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CCNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCN=C(N)N)NC1=O InChI=1S/C37H49N11O6/c38-36(39)43-16-3-7-27-33(52)46-28(8-4-17-44-37(40)41)34(53)48-29(20-22-10-13-26(49)14-11-22)32(51)42-18-15-31(50)45-30(35(54)47-27)21-23-9-12-24-5-1-2-6-25(24)19-23/h1-2,5-6,9-14,19,27-30,49H,3-4,7-8,15-18,20-21H2,(H,42,51)(H,45,50)(H,46,52)(H,47,54)(H,48,53)(H4,38,39,43)(H4,40,41,44)/t27-,28-,29+,30-/m0/s1 LMVXXKJNXQKPHR-ZXYZSCNASA-N 50202344 CHEMBL375991::cyclo(-D-Tyr-L-Arg-L-Arg-L-Nal-beta-Ala-) C-X-C chemokine receptor type 4 47 ChEMBL 10.1021/jm0607350 10.7270/Q25M65D3 17228861 Ueda, S; Oishi, S; Wang, ZX; Araki, T; Tamamura, H; Cluzeau, J; Ohno, H; Kusano, S; Nakashima, H; Trent, JO; Peiper, SC; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50202344 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50202344&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 44418878 104081921 CHEMBL375991 ZINC49778237 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50371017 NC(N)=NCCC[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H]2CCCN2C(=O)[C@@H](Cc2ccc(O)cc2)NC1=O InChI=1S/C39H51N11O6/c40-38(41)44-17-3-8-28-33(52)46-29(9-4-18-45-39(42)43)34(53)49-31(21-23-12-15-27(51)16-13-23)37(56)50-19-5-10-32(50)36(55)48-30(35(54)47-28)22-24-11-14-25-6-1-2-7-26(25)20-24/h1-2,6-7,11-16,20,28-32,51H,3-5,8-10,17-19,21-22H2,(H,46,52)(H,47,54)(H,48,55)(H,49,53)(H4,40,41,44)(H4,42,43,45)/t28-,29-,30-,31+,32+/m0/s1 ZEZHSLWWPOEWOT-WTOCPUKLSA-N 50202374 CHEMBL387122::cyclo(-D-Tyr-L-Arg-L-Arg-L-Nal-D-Pro-) C-X-C chemokine receptor type 4 >1000 ChEMBL 10.1021/jm0607350 10.7270/Q25M65D3 17228861 Ueda, S; Oishi, S; Wang, ZX; Araki, T; Tamamura, H; Cluzeau, J; Ohno, H; Kusano, S; Nakashima, H; Trent, JO; Peiper, SC; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50202374 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50202374&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 44418875 104081951 CHEMBL387122 ZINC95613076 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50371018 C[C@@H]1NC(=O)CN(C)C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC1=O InChI=1S/C27H43N11O6/c1-15-22(41)35-18(5-3-11-32-26(28)29)23(42)36-19(6-4-12-33-27(30)31)24(43)37-20(13-16-7-9-17(39)10-8-16)25(44)38(2)14-21(40)34-15/h7-10,15,18-20,39H,3-6,11-14H2,1-2H3,(H,34,40)(H,35,41)(H,36,42)(H,37,43)(H4,28,29,32)(H4,30,31,33)/t15-,18-,19-,20+/m0/s1 DUPFTLXKUNVZDO-MVJPYGJCSA-N 50202373 CHEMBL219075::cyclo(-D-Tyr-L-Arg-L-Arg-L-Ala-Sar-) C-X-C chemokine receptor type 4 167 ChEMBL 10.1021/jm0607350 10.7270/Q25M65D3 17228861 Ueda, S; Oishi, S; Wang, ZX; Araki, T; Tamamura, H; Cluzeau, J; Ohno, H; Kusano, S; Nakashima, H; Trent, JO; Peiper, SC; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50202373 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50202373&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 44418890 104081950 CHEMBL219075 ZINC36179502 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50369080 NC(=N)NCCC[C@@H]1NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O InChI=1S/C36H47N11O6/c37-35(38)41-15-3-7-26-32(51)45-27(8-4-16-42-36(39)40)33(52)47-28(19-22-9-12-23-5-1-2-6-24(23)17-22)31(50)43-20-30(49)44-29(34(53)46-26)18-21-10-13-25(48)14-11-21/h1-2,5-6,9-14,17,26-29,48H,3-4,7-8,15-16,18-20H2,(H,43,50)(H,44,49)(H,45,51)(H,46,53)(H,47,52)(H4,37,38,41)(H4,39,40,42)/t26-,27+,28+,29-/m1/s1 MBXBICVKLVYNKD-GIFPIDKJSA-N 50166087 CHEMBL436097::N-{3-[(2R,5S,8S,14R)-5-(3-Guanidino-propyl)-14-(4-hydroxy-benzyl)-8-naphthalen-2-ylmethyl-3,6,9,12,15-pentaoxo-1,4,7,10,13pentaaza-cyclopentadec-2-yl]-propyl}-guanidine C-X-C chemokine receptor type 4 8.0 ChEMBL 10.1016/j.bmc.2014.07.004 10.7270/Q2XG9SVZ 25082513 Zachariassen, ZG; Thiele, S; Berg, EA; Rasmussen, P; Fossen, T; Rosenkilde, MM; Våbenø, J; Haug, BE UiT The Arctic University of Norway http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50166087 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50166087&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 5278953 104051495 CHEMBL436097 ZINC28477171 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50369081 C[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)c1ccc(CNC(=O)c2ccc(cc2)C(F)(F)F)cc1)c1cccc2ccccc12 InChI=1S/C34H35F3N6O3/c1-21(27-9-4-7-23-6-2-3-8-28(23)27)42-32(46)29(10-5-19-40-33(38)39)43-31(45)25-13-11-22(12-14-25)20-41-30(44)24-15-17-26(18-16-24)34(35,36)37/h2-4,6-9,11-18,21,29H,5,10,19-20H2,1H3,(H,41,44)(H,42,46)(H,43,45)(H4,38,39,40)/t21-,29+/m1/s1 JDLWSPXQVKURGN-PBBNMVCDSA-N 50100598 CHEMBL2031844 C-X-C chemokine receptor type 4 >1000 ChEMBL 10.1016/j.bmc.2014.07.004 10.7270/Q2XG9SVZ 25082513 Zachariassen, ZG; Thiele, S; Berg, EA; Rasmussen, P; Fossen, T; Rosenkilde, MM; Våbenø, J; Haug, BE UiT The Arctic University of Norway http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50100598 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50100598&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 11635914 103997362 CHEMBL2031844 ZINC26271757 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50369086 NC(N)=NCCC[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O InChI=1S/C36H47N11O6/c37-35(38)41-15-3-7-26-32(51)45-27(8-4-16-42-36(39)40)33(52)47-28(19-22-9-12-23-5-1-2-6-24(23)17-22)31(50)43-20-30(49)44-29(34(53)46-26)18-21-10-13-25(48)14-11-21/h1-2,5-6,9-14,17,26-29,48H,3-4,7-8,15-16,18-20H2,(H,43,50)(H,44,49)(H,45,51)(H,46,53)(H,47,52)(H4,37,38,41)(H4,39,40,42)/t26-,27-,28-,29+/m0/s1 MBXBICVKLVYNKD-XFTNXAEASA-N 50166106 CHEMBL436283::N-{3-[(2S,5S,8S,14R)-5-(3-Guanidino-propyl)-14-(4-hydroxy-benzyl)-8-naphthalen-2-ylmethyl-3,6,9,12,15-pentaoxo-1,4,7,10,13pentaaza-cyclopentadec-2-yl]-propyl}-guanidine::cyclo(-D-Tyr-Arg-Arg-Nal-Gly-) C-X-C chemokine receptor type 4 4.0 ChEMBL 10.1016/j.bmc.2014.07.004 10.7270/Q2XG9SVZ 25082513 Zachariassen, ZG; Thiele, S; Berg, EA; Rasmussen, P; Fossen, T; Rosenkilde, MM; Våbenø, J; Haug, BE UiT The Arctic University of Norway http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50166106 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50166106&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 5275843 104051514 CHEMBL436283 ZINC03925712 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50369089 NC(=N)NCCC[C@@H]1NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O InChI=1S/C36H47N11O6/c37-35(38)41-15-3-7-26-32(51)45-27(8-4-16-42-36(39)40)33(52)47-28(19-22-9-12-23-5-1-2-6-24(23)17-22)31(50)43-20-30(49)44-29(34(53)46-26)18-21-10-13-25(48)14-11-21/h1-2,5-6,9-14,17,26-29,48H,3-4,7-8,15-16,18-20H2,(H,43,50)(H,44,49)(H,45,51)(H,46,53)(H,47,52)(H4,37,38,41)(H4,39,40,42)/t26-,27+,28+,29-/m1/s1 MBXBICVKLVYNKD-GIFPIDKJSA-N 50166087 CHEMBL436097::N-{3-[(2R,5S,8S,14R)-5-(3-Guanidino-propyl)-14-(4-hydroxy-benzyl)-8-naphthalen-2-ylmethyl-3,6,9,12,15-pentaoxo-1,4,7,10,13pentaaza-cyclopentadec-2-yl]-propyl}-guanidine C-X-C chemokine receptor type 4 520 ChEMBL 10.1016/j.bmc.2014.07.004 10.7270/Q2XG9SVZ 25082513 Zachariassen, ZG; Thiele, S; Berg, EA; Rasmussen, P; Fossen, T; Rosenkilde, MM; Våbenø, J; Haug, BE UiT The Arctic University of Norway http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50166087 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50166087&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 5278953 104051495 CHEMBL436097 ZINC28477171 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50369090 NC(=N)NCCCCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCc1ccc2ccccc2c1 InChI=1S/C24H36N8O2/c25-23(26)30-13-4-3-9-21(33)32-20(8-5-14-31-24(27)28)22(34)29-15-12-17-10-11-18-6-1-2-7-19(18)16-17/h1-2,6-7,10-11,16,20H,3-5,8-9,12-15H2,(H,29,34)(H,32,33)(H4,25,26,30)(H4,27,28,31)/t20-/m0/s1 LPLQXFKZYHBFEY-FQEVSTJZSA-N 50100599 CHEMBL3327366 C-X-C chemokine receptor type 4 58000 ChEMBL 10.1016/j.bmc.2014.07.004 10.7270/Q2XG9SVZ 25082513 Zachariassen, ZG; Thiele, S; Berg, EA; Rasmussen, P; Fossen, T; Rosenkilde, MM; Våbenø, J; Haug, BE UiT The Arctic University of Norway http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50100599 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50100599&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 118712250 103997363 CHEMBL3327366 ZINC13863084 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50369092 CC(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(N)=O InChI=1S/C27H40N10O4/c1-16(38)35-20(8-4-12-33-26(29)30)24(40)36-21(9-5-13-34-27(31)32)25(41)37-22(23(28)39)15-17-10-11-18-6-2-3-7-19(18)14-17/h2-3,6-7,10-11,14,20-22H,4-5,8-9,12-13,15H2,1H3,(H2,28,39)(H,35,38)(H,36,40)(H,37,41)(H4,29,30,33)(H4,31,32,34)/t20-,21+,22+/m1/s1 WCMXOCQTINOFHH-FSSWDIPSSA-N 50100600 CHEMBL3327367 C-X-C chemokine receptor type 4 86000 ChEMBL 10.1016/j.bmc.2014.07.004 10.7270/Q2XG9SVZ 25082513 Zachariassen, ZG; Thiele, S; Berg, EA; Rasmussen, P; Fossen, T; Rosenkilde, MM; Våbenø, J; Haug, BE UiT The Arctic University of Norway http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50100600 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50100600&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 118712251 318490725 CHEMBL3327367 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50369097 NC(=N)NCCC[C@H]1NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O InChI=1S/C29H41N11O5/c30-28(31)34-11-3-7-20-26(44)39-21(8-4-12-35-29(32)33)27(45)40-22(25(43)37-15-23(41)36-16-24(42)38-20)14-17-9-10-18-5-1-2-6-19(18)13-17/h1-2,5-6,9-10,13,20-22H,3-4,7-8,11-12,14-16H2,(H,36,41)(H,37,43)(H,38,42)(H,39,44)(H,40,45)(H4,30,31,34)(H4,32,33,35)/t20-,21+,22+/m1/s1 GVRZJNMDSFJPIR-FSSWDIPSSA-N 50100601 CHEMBL3327368 C-X-C chemokine receptor type 4 44000 ChEMBL 10.1016/j.bmc.2014.07.004 10.7270/Q2XG9SVZ 25082513 Zachariassen, ZG; Thiele, S; Berg, EA; Rasmussen, P; Fossen, T; Rosenkilde, MM; Våbenø, J; Haug, BE UiT The Arctic University of Norway http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50100601 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50100601&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 118712252 103997364 CHEMBL3327368 ZINC03786090 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50369101 NC(=N)NCCC[C@H]1NC(=O)CCCCNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O InChI=1S/C30H44N10O4/c31-29(32)36-15-5-9-22-27(43)39-23(10-6-16-37-30(33)34)28(44)40-24(26(42)35-14-4-3-11-25(41)38-22)18-19-12-13-20-7-1-2-8-21(20)17-19/h1-2,7-8,12-13,17,22-24H,3-6,9-11,14-16,18H2,(H,35,42)(H,38,41)(H,39,43)(H,40,44)(H4,31,32,36)(H4,33,34,37)/t22-,23+,24+/m1/s1 FZLVLKHPRYQZRO-SGNDLWITSA-N 50100602 CHEMBL3327369 C-X-C chemokine receptor type 4 >100000 ChEMBL 10.1016/j.bmc.2014.07.004 10.7270/Q2XG9SVZ 25082513 Zachariassen, ZG; Thiele, S; Berg, EA; Rasmussen, P; Fossen, T; Rosenkilde, MM; Våbenø, J; Haug, BE UiT The Arctic University of Norway http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50100602 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50100602&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 118712253 103997365 CHEMBL3327369 ZINC13863093 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50369104 NC(=N)NCCC[C@H]1NC(=O)CCCCCNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O InChI=1S/C31H46N10O4/c32-30(33)37-16-6-10-23-28(44)40-24(11-7-17-38-31(34)35)29(45)41-25(27(43)36-15-5-1-2-12-26(42)39-23)19-20-13-14-21-8-3-4-9-22(21)18-20/h3-4,8-9,13-14,18,23-25H,1-2,5-7,10-12,15-17,19H2,(H,36,43)(H,39,42)(H,40,44)(H,41,45)(H4,32,33,37)(H4,34,35,38)/t23-,24+,25+/m1/s1 ZZNJBCCQXVZHMT-DSITVLBTSA-N 50100603 CHEMBL3327370 C-X-C chemokine receptor type 4 >100000 ChEMBL 10.1016/j.bmc.2014.07.004 10.7270/Q2XG9SVZ 25082513 Zachariassen, ZG; Thiele, S; Berg, EA; Rasmussen, P; Fossen, T; Rosenkilde, MM; Våbenø, J; Haug, BE UiT The Arctic University of Norway http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50100603 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50100603&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 118712254 103997366 CHEMBL3327370 ZINC26282676 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50369107 NC(=N)NCCC[C@H]1NC(=O)CCCNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O InChI=1S/C29H42N10O4/c30-28(31)35-14-3-8-21-26(42)38-22(9-4-15-36-29(32)33)27(43)39-23(25(41)34-13-5-10-24(40)37-21)17-18-11-12-19-6-1-2-7-20(19)16-18/h1-2,6-7,11-12,16,21-23H,3-5,8-10,13-15,17H2,(H,34,41)(H,37,40)(H,38,42)(H,39,43)(H4,30,31,35)(H4,32,33,36)/t21-,22+,23+/m1/s1 QDOWGHMQGZINPC-VJBWXMMDSA-N 50100604 CHEMBL3327371 C-X-C chemokine receptor type 4 >100000 ChEMBL 10.1016/j.bmc.2014.07.004 10.7270/Q2XG9SVZ 25082513 Zachariassen, ZG; Thiele, S; Berg, EA; Rasmussen, P; Fossen, T; Rosenkilde, MM; Våbenø, J; Haug, BE UiT The Arctic University of Norway http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50100604 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50100604&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 118712255 103997367 CHEMBL3327371 ZINC13863089 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50369108 NC(=N)NCCC[C@H]1NC(=O)CCNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O InChI=1S/C28H40N10O4/c29-27(30)34-12-3-7-20-25(41)37-21(8-4-13-35-28(31)32)26(42)38-22(24(40)33-14-11-23(39)36-20)16-17-9-10-18-5-1-2-6-19(18)15-17/h1-2,5-6,9-10,15,20-22H,3-4,7-8,11-14,16H2,(H,33,40)(H,36,39)(H,37,41)(H,38,42)(H4,29,30,34)(H4,31,32,35)/t20-,21+,22+/m1/s1 RCIPAKCKICXLHJ-FSSWDIPSSA-N 50100605 CHEMBL3327372 C-X-C chemokine receptor type 4 >100000 ChEMBL 10.1016/j.bmc.2014.07.004 10.7270/Q2XG9SVZ 25082513 Zachariassen, ZG; Thiele, S; Berg, EA; Rasmussen, P; Fossen, T; Rosenkilde, MM; Våbenø, J; Haug, BE UiT The Arctic University of Norway http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50100605 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50100605&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 118712256 103997368 CHEMBL3327372 ZINC26268962 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50369117 NC(=N)NCCC[C@H]1NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O InChI=1S/C27H38N10O4/c28-26(29)32-11-3-7-19-24(40)36-20(8-4-12-33-27(30)31)25(41)37-21(23(39)34-15-22(38)35-19)14-16-9-10-17-5-1-2-6-18(17)13-16/h1-2,5-6,9-10,13,19-21H,3-4,7-8,11-12,14-15H2,(H,34,39)(H,35,38)(H,36,40)(H,37,41)(H4,28,29,32)(H4,30,31,33)/t19-,20+,21+/m1/s1 DQGZETSEMMTKEW-HKBOAZHASA-N 50100606 CHEMBL3327373 C-X-C chemokine receptor type 4 60000 ChEMBL 10.1016/j.bmc.2014.07.004 10.7270/Q2XG9SVZ 25082513 Zachariassen, ZG; Thiele, S; Berg, EA; Rasmussen, P; Fossen, T; Rosenkilde, MM; Våbenø, J; Haug, BE UiT The Arctic University of Norway http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50100606 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50100606&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 118712257 103997369 CHEMBL3327373 ZINC13863095 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50369124 NC(=N)NCCC[C@@H]1N2[C@H](CN(CCc3ccc4ccccc4c3)C1=O)SC[C@H](NC(=O)CNC(N)=N)C2=O InChI=1S/C26H35N9O3S/c27-25(28)31-10-3-6-20-24(38)34(11-9-16-7-8-17-4-1-2-5-18(17)12-16)14-22-35(20)23(37)19(15-39-22)33-21(36)13-32-26(29)30/h1-2,4-5,7-8,12,19-20,22H,3,6,9-11,13-15H2,(H,33,36)(H4,27,28,31)(H4,29,30,32)/t19-,20-,22-/m0/s1 XLFXGMWRVFGFJJ-ONTIZHBOSA-N 50100607 CHEMBL3325468 C-X-C chemokine receptor type 4 >100000 ChEMBL 10.1016/j.bmc.2014.07.004 10.7270/Q2XG9SVZ 25082513 Zachariassen, ZG; Thiele, S; Berg, EA; Rasmussen, P; Fossen, T; Rosenkilde, MM; Våbenø, J; Haug, BE UiT The Arctic University of Norway http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50100607 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50100607&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 118712258 103997370 CHEMBL3325468 ZINC13863085 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50369125 NC(=N)NCCC[C@@H]1N2[C@@H](CN(CCc3ccc4ccccc4c3)C1=O)SC[C@@H](NC(=O)CNC(N)=N)C2=O InChI=1S/C26H35N9O3S/c27-25(28)31-10-3-6-20-24(38)34(11-9-16-7-8-17-4-1-2-5-18(17)12-16)14-22-35(20)23(37)19(15-39-22)33-21(36)13-32-26(29)30/h1-2,4-5,7-8,12,19-20,22H,3,6,9-11,13-15H2,(H,33,36)(H4,27,28,31)(H4,29,30,32)/t19-,20+,22-/m1/s1 XLFXGMWRVFGFJJ-RZUBCFFCSA-N 50100608 CHEMBL3327374 C-X-C chemokine receptor type 4 >100000 ChEMBL 10.1016/j.bmc.2014.07.004 10.7270/Q2XG9SVZ 25082513 Zachariassen, ZG; Thiele, S; Berg, EA; Rasmussen, P; Fossen, T; Rosenkilde, MM; Våbenø, J; Haug, BE UiT The Arctic University of Norway http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50100608 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50100608&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 118712259 103997371 CHEMBL3327374 ZINC13863078 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50369127 NC(=N)NCCC[C@H]1CS[C@H]2CN(CCc3ccc4ccccc4c3)C(=O)[C@H](CCCNC(N)=N)N2C1=O InChI=1S/C27H38N8O2S/c28-26(29)32-12-3-7-21-17-38-23-16-34(14-11-18-9-10-19-5-1-2-6-20(19)15-18)25(37)22(35(23)24(21)36)8-4-13-33-27(30)31/h1-2,5-6,9-10,15,21-23H,3-4,7-8,11-14,16-17H2,(H4,28,29,32)(H4,30,31,33)/t21-,22-,23-/m0/s1 HGYUYJQQLQGKKL-VABKMULXSA-N 50100609 CHEMBL3327375 C-X-C chemokine receptor type 4 80000 ChEMBL 10.1016/j.bmc.2014.07.004 10.7270/Q2XG9SVZ 25082513 Zachariassen, ZG; Thiele, S; Berg, EA; Rasmussen, P; Fossen, T; Rosenkilde, MM; Våbenø, J; Haug, BE UiT The Arctic University of Norway http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50100609 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50100609&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 118712260 103997372 CHEMBL3327375 ZINC03786087 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50369128 NC(=N)NCCC[C@@H]1CS[C@@H]2CN(CCc3ccc4ccccc4c3)C(=O)[C@H](CCCNC(N)=N)N2C1=O InChI=1S/C27H38N8O2S/c28-26(29)32-12-3-7-21-17-38-23-16-34(14-11-18-9-10-19-5-1-2-6-20(19)15-18)25(37)22(35(23)24(21)36)8-4-13-33-27(30)31/h1-2,5-6,9-10,15,21-23H,3-4,7-8,11-14,16-17H2,(H4,28,29,32)(H4,30,31,33)/t21-,22+,23-/m1/s1 HGYUYJQQLQGKKL-XPWALMASSA-N 50100610 CHEMBL3327376 C-X-C chemokine receptor type 4 64000 ChEMBL 10.1016/j.bmc.2014.07.004 10.7270/Q2XG9SVZ 25082513 Zachariassen, ZG; Thiele, S; Berg, EA; Rasmussen, P; Fossen, T; Rosenkilde, MM; Våbenø, J; Haug, BE UiT The Arctic University of Norway http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50100610 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50100610&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 118712261 103997373 CHEMBL3327376 ZINC13863092 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50369132 NC(=N)NCCC[C@@H]1NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O InChI=1S/C36H47N11O6/c37-35(38)41-15-3-7-26-32(51)45-27(8-4-16-42-36(39)40)33(52)47-28(19-22-9-12-23-5-1-2-6-24(23)17-22)31(50)43-20-30(49)44-29(34(53)46-26)18-21-10-13-25(48)14-11-21/h1-2,5-6,9-14,17,26-29,48H,3-4,7-8,15-16,18-20H2,(H,43,50)(H,44,49)(H,45,51)(H,46,53)(H,47,52)(H4,37,38,41)(H4,39,40,42)/t26-,27+,28+,29-/m1/s1 MBXBICVKLVYNKD-GIFPIDKJSA-N 50166087 CHEMBL436097::N-{3-[(2R,5S,8S,14R)-5-(3-Guanidino-propyl)-14-(4-hydroxy-benzyl)-8-naphthalen-2-ylmethyl-3,6,9,12,15-pentaoxo-1,4,7,10,13pentaaza-cyclopentadec-2-yl]-propyl}-guanidine C-X-C chemokine receptor type 4 525 ChEMBL 10.1016/j.bmc.2014.07.004 10.7270/Q2XG9SVZ 25082513 Zachariassen, ZG; Thiele, S; Berg, EA; Rasmussen, P; Fossen, T; Rosenkilde, MM; Våbenø, J; Haug, BE UiT The Arctic University of Norway http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50166087 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50166087&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 5278953 104051495 CHEMBL436097 ZINC28477171 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50369134 NC(=N)NCCCCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCc1ccc2ccccc2c1 InChI=1S/C24H36N8O2/c25-23(26)30-13-4-3-9-21(33)32-20(8-5-14-31-24(27)28)22(34)29-15-12-17-10-11-18-6-1-2-7-19(18)16-17/h1-2,6-7,10-11,16,20H,3-5,8-9,12-15H2,(H,29,34)(H,32,33)(H4,25,26,30)(H4,27,28,31)/t20-/m0/s1 LPLQXFKZYHBFEY-FQEVSTJZSA-N 50100599 CHEMBL3327366 C-X-C chemokine receptor type 4 57544 ChEMBL 10.1016/j.bmc.2014.07.004 10.7270/Q2XG9SVZ 25082513 Zachariassen, ZG; Thiele, S; Berg, EA; Rasmussen, P; Fossen, T; Rosenkilde, MM; Våbenø, J; Haug, BE UiT The Arctic University of Norway http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50100599 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50100599&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 118712250 103997363 CHEMBL3327366 ZINC13863084 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50369135 CC(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(N)=O InChI=1S/C27H40N10O4/c1-16(38)35-20(8-4-12-33-26(29)30)24(40)36-21(9-5-13-34-27(31)32)25(41)37-22(23(28)39)15-17-10-11-18-6-2-3-7-19(18)14-17/h2-3,6-7,10-11,14,20-22H,4-5,8-9,12-13,15H2,1H3,(H2,28,39)(H,35,38)(H,36,40)(H,37,41)(H4,29,30,33)(H4,31,32,34)/t20-,21+,22+/m1/s1 WCMXOCQTINOFHH-FSSWDIPSSA-N 50100600 CHEMBL3327367 C-X-C chemokine receptor type 4 85114 ChEMBL 10.1016/j.bmc.2014.07.004 10.7270/Q2XG9SVZ 25082513 Zachariassen, ZG; Thiele, S; Berg, EA; Rasmussen, P; Fossen, T; Rosenkilde, MM; Våbenø, J; Haug, BE UiT The Arctic University of Norway http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50100600 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50100600&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 118712251 318490725 CHEMBL3327367 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50369136 NC(=N)NCCC[C@H]1NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O InChI=1S/C29H41N11O5/c30-28(31)34-11-3-7-20-26(44)39-21(8-4-12-35-29(32)33)27(45)40-22(25(43)37-15-23(41)36-16-24(42)38-20)14-17-9-10-18-5-1-2-6-19(18)13-17/h1-2,5-6,9-10,13,20-22H,3-4,7-8,11-12,14-16H2,(H,36,41)(H,37,43)(H,38,42)(H,39,44)(H,40,45)(H4,30,31,34)(H4,32,33,35)/t20-,21+,22+/m1/s1 GVRZJNMDSFJPIR-FSSWDIPSSA-N 50100601 CHEMBL3327368 C-X-C chemokine receptor type 4 43652 ChEMBL 10.1016/j.bmc.2014.07.004 10.7270/Q2XG9SVZ 25082513 Zachariassen, ZG; Thiele, S; Berg, EA; Rasmussen, P; Fossen, T; Rosenkilde, MM; Våbenø, J; Haug, BE UiT The Arctic University of Norway http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50100601 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50100601&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 118712252 103997364 CHEMBL3327368 ZINC03786090 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50369143 NC(=N)NCCC[C@H]1NC(=O)CCCCNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O InChI=1S/C30H44N10O4/c31-29(32)36-15-5-9-22-27(43)39-23(10-6-16-37-30(33)34)28(44)40-24(26(42)35-14-4-3-11-25(41)38-22)18-19-12-13-20-7-1-2-8-21(20)17-19/h1-2,7-8,12-13,17,22-24H,3-6,9-11,14-16,18H2,(H,35,42)(H,38,41)(H,39,43)(H,40,44)(H4,31,32,36)(H4,33,34,37)/t22-,23+,24+/m1/s1 FZLVLKHPRYQZRO-SGNDLWITSA-N 50100602 CHEMBL3327369 C-X-C chemokine receptor type 4 >100000 ChEMBL 10.1016/j.bmc.2014.07.004 10.7270/Q2XG9SVZ 25082513 Zachariassen, ZG; Thiele, S; Berg, EA; Rasmussen, P; Fossen, T; Rosenkilde, MM; Våbenø, J; Haug, BE UiT The Arctic University of Norway http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50100602 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50100602&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 118712253 103997365 CHEMBL3327369 ZINC13863093 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50369151 NC(=N)NCCC[C@H]1NC(=O)CCCCCNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O InChI=1S/C31H46N10O4/c32-30(33)37-16-6-10-23-28(44)40-24(11-7-17-38-31(34)35)29(45)41-25(27(43)36-15-5-1-2-12-26(42)39-23)19-20-13-14-21-8-3-4-9-22(21)18-20/h3-4,8-9,13-14,18,23-25H,1-2,5-7,10-12,15-17,19H2,(H,36,43)(H,39,42)(H,40,44)(H,41,45)(H4,32,33,37)(H4,34,35,38)/t23-,24+,25+/m1/s1 ZZNJBCCQXVZHMT-DSITVLBTSA-N 50100603 CHEMBL3327370 C-X-C chemokine receptor type 4 >100000 ChEMBL 10.1016/j.bmc.2014.07.004 10.7270/Q2XG9SVZ 25082513 Zachariassen, ZG; Thiele, S; Berg, EA; Rasmussen, P; Fossen, T; Rosenkilde, MM; Våbenø, J; Haug, BE UiT The Arctic University of Norway http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50100603 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50100603&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 118712254 103997366 CHEMBL3327370 ZINC26282676 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50369152 NC(=N)NCCC[C@H]1NC(=O)CCCNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O InChI=1S/C29H42N10O4/c30-28(31)35-14-3-8-21-26(42)38-22(9-4-15-36-29(32)33)27(43)39-23(25(41)34-13-5-10-24(40)37-21)17-18-11-12-19-6-1-2-7-20(19)16-18/h1-2,6-7,11-12,16,21-23H,3-5,8-10,13-15,17H2,(H,34,41)(H,37,40)(H,38,42)(H,39,43)(H4,30,31,35)(H4,32,33,36)/t21-,22+,23+/m1/s1 QDOWGHMQGZINPC-VJBWXMMDSA-N 50100604 CHEMBL3327371 C-X-C chemokine receptor type 4 >100000 ChEMBL 10.1016/j.bmc.2014.07.004 10.7270/Q2XG9SVZ 25082513 Zachariassen, ZG; Thiele, S; Berg, EA; Rasmussen, P; Fossen, T; Rosenkilde, MM; Våbenø, J; Haug, BE UiT The Arctic University of Norway http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50100604 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50100604&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 118712255 103997367 CHEMBL3327371 ZINC13863089 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50369153 NC(=N)NCCC[C@H]1NC(=O)CCNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O InChI=1S/C28H40N10O4/c29-27(30)34-12-3-7-20-25(41)37-21(8-4-13-35-28(31)32)26(42)38-22(24(40)33-14-11-23(39)36-20)16-17-9-10-18-5-1-2-6-19(18)15-17/h1-2,5-6,9-10,15,20-22H,3-4,7-8,11-14,16H2,(H,33,40)(H,36,39)(H,37,41)(H,38,42)(H4,29,30,34)(H4,31,32,35)/t20-,21+,22+/m1/s1 RCIPAKCKICXLHJ-FSSWDIPSSA-N 50100605 CHEMBL3327372 C-X-C chemokine receptor type 4 >100000 ChEMBL 10.1016/j.bmc.2014.07.004 10.7270/Q2XG9SVZ 25082513 Zachariassen, ZG; Thiele, S; Berg, EA; Rasmussen, P; Fossen, T; Rosenkilde, MM; Våbenø, J; Haug, BE UiT The Arctic University of Norway http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50100605 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50100605&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 118712256 103997368 CHEMBL3327372 ZINC26268962 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50369154 NC(=N)NCCC[C@H]1NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O InChI=1S/C27H38N10O4/c28-26(29)32-11-3-7-19-24(40)36-20(8-4-12-33-27(30)31)25(41)37-21(23(39)34-15-22(38)35-19)14-16-9-10-17-5-1-2-6-18(17)13-16/h1-2,5-6,9-10,13,19-21H,3-4,7-8,11-12,14-15H2,(H,34,39)(H,35,38)(H,36,40)(H,37,41)(H4,28,29,32)(H4,30,31,33)/t19-,20+,21+/m1/s1 DQGZETSEMMTKEW-HKBOAZHASA-N 50100606 CHEMBL3327373 C-X-C chemokine receptor type 4 60256 ChEMBL 10.1016/j.bmc.2014.07.004 10.7270/Q2XG9SVZ 25082513 Zachariassen, ZG; Thiele, S; Berg, EA; Rasmussen, P; Fossen, T; Rosenkilde, MM; Våbenø, J; Haug, BE UiT The Arctic University of Norway http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50100606 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50100606&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 118712257 103997369 CHEMBL3327373 ZINC13863095 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50369162 NC(=N)NCCC[C@@H]1N2[C@H](CN(CCc3ccc4ccccc4c3)C1=O)SC[C@H](NC(=O)CNC(N)=N)C2=O InChI=1S/C26H35N9O3S/c27-25(28)31-10-3-6-20-24(38)34(11-9-16-7-8-17-4-1-2-5-18(17)12-16)14-22-35(20)23(37)19(15-39-22)33-21(36)13-32-26(29)30/h1-2,4-5,7-8,12,19-20,22H,3,6,9-11,13-15H2,(H,33,36)(H4,27,28,31)(H4,29,30,32)/t19-,20-,22-/m0/s1 XLFXGMWRVFGFJJ-ONTIZHBOSA-N 50100607 CHEMBL3325468 C-X-C chemokine receptor type 4 >100000 ChEMBL 10.1016/j.bmc.2014.07.004 10.7270/Q2XG9SVZ 25082513 Zachariassen, ZG; Thiele, S; Berg, EA; Rasmussen, P; Fossen, T; Rosenkilde, MM; Våbenø, J; Haug, BE UiT The Arctic University of Norway http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50100607 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50100607&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 118712258 103997370 CHEMBL3325468 ZINC13863085 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50369163 NC(=N)NCCC[C@@H]1N2[C@@H](CN(CCc3ccc4ccccc4c3)C1=O)SC[C@@H](NC(=O)CNC(N)=N)C2=O InChI=1S/C26H35N9O3S/c27-25(28)31-10-3-6-20-24(38)34(11-9-16-7-8-17-4-1-2-5-18(17)12-16)14-22-35(20)23(37)19(15-39-22)33-21(36)13-32-26(29)30/h1-2,4-5,7-8,12,19-20,22H,3,6,9-11,13-15H2,(H,33,36)(H4,27,28,31)(H4,29,30,32)/t19-,20+,22-/m1/s1 XLFXGMWRVFGFJJ-RZUBCFFCSA-N 50100608 CHEMBL3327374 C-X-C chemokine receptor type 4 >100000 ChEMBL 10.1016/j.bmc.2014.07.004 10.7270/Q2XG9SVZ 25082513 Zachariassen, ZG; Thiele, S; Berg, EA; Rasmussen, P; Fossen, T; Rosenkilde, MM; Våbenø, J; Haug, BE UiT The Arctic University of Norway http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50100608 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50100608&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 118712259 103997371 CHEMBL3327374 ZINC13863078 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50369164 NC(=N)NCCC[C@H]1CS[C@H]2CN(CCc3ccc4ccccc4c3)C(=O)[C@H](CCCNC(N)=N)N2C1=O InChI=1S/C27H38N8O2S/c28-26(29)32-12-3-7-21-17-38-23-16-34(14-11-18-9-10-19-5-1-2-6-20(19)15-18)25(37)22(35(23)24(21)36)8-4-13-33-27(30)31/h1-2,5-6,9-10,15,21-23H,3-4,7-8,11-14,16-17H2,(H4,28,29,32)(H4,30,31,33)/t21-,22-,23-/m0/s1 HGYUYJQQLQGKKL-VABKMULXSA-N 50100609 CHEMBL3327375 C-X-C chemokine receptor type 4 79433 ChEMBL 10.1016/j.bmc.2014.07.004 10.7270/Q2XG9SVZ 25082513 Zachariassen, ZG; Thiele, S; Berg, EA; Rasmussen, P; Fossen, T; Rosenkilde, MM; Våbenø, J; Haug, BE UiT The Arctic University of Norway http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50100609 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50100609&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 118712260 103997372 CHEMBL3327375 ZINC03786087 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50369167 NC(=N)NCCC[C@@H]1CS[C@@H]2CN(CCc3ccc4ccccc4c3)C(=O)[C@H](CCCNC(N)=N)N2C1=O InChI=1S/C27H38N8O2S/c28-26(29)32-12-3-7-21-17-38-23-16-34(14-11-18-9-10-19-5-1-2-6-20(19)15-18)25(37)22(35(23)24(21)36)8-4-13-33-27(30)31/h1-2,5-6,9-10,15,21-23H,3-4,7-8,11-14,16-17H2,(H4,28,29,32)(H4,30,31,33)/t21-,22+,23-/m1/s1 HGYUYJQQLQGKKL-XPWALMASSA-N 50100610 CHEMBL3327376 C-X-C chemokine receptor type 4 63096 ChEMBL 10.1016/j.bmc.2014.07.004 10.7270/Q2XG9SVZ 25082513 Zachariassen, ZG; Thiele, S; Berg, EA; Rasmussen, P; Fossen, T; Rosenkilde, MM; Våbenø, J; Haug, BE UiT The Arctic University of Norway http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50100610 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50100610&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 118712261 103997373 CHEMBL3327376 ZINC13863092 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50369168 NC(=N)NCCCC[C@H]1C=C[C@H](CCc2ccc3ccccc3c2)N(CCCCNC(N)=N)C1=O InChI=1S/C27H39N7O/c28-26(29)32-16-4-3-8-22-13-15-24(34(25(22)35)18-6-5-17-33-27(30)31)14-11-20-10-12-21-7-1-2-9-23(21)19-20/h1-2,7,9-10,12-13,15,19,22,24H,3-6,8,11,14,16-18H2,(H4,28,29,32)(H4,30,31,33)/t22-,24-/m0/s1 CNUGCOIAPXGYMM-UPVQGACJSA-N 50100611 CHEMBL3357471 C-X-C chemokine receptor type 4 15100 ChEMBL 10.1016/j.bmc.2014.07.004 10.7270/Q2XG9SVZ 25082513 Zachariassen, ZG; Thiele, S; Berg, EA; Rasmussen, P; Fossen, T; Rosenkilde, MM; Våbenø, J; Haug, BE UiT The Arctic University of Norway http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50100611 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50100611&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 118722241 103997374 CHEMBL3357471 ZINC13863087 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50392033 Cc1ccc(CN2CCCNCCNCCCNCC2)cc1 InChI=1S/C18H32N4/c1-17-4-6-18(7-5-17)16-22-14-3-10-20-12-11-19-8-2-9-21-13-15-22/h4-7,19-21H,2-3,8-16H2,1H3 YYKNLRGFDMOOFB-UHFFFAOYSA-N 50035719 1-(4-Methyl-benzyl)-1,4,8,11tetraaza-cyclotetradecane::CHEMBL122226 C-X-C chemokine receptor type 4 20000 ChEMBL 10.1074/jbc.M704739200 10.7270/Q26Q1X1Q 17599916 Rosenkilde, MM; Gerlach, LO; Hatse, S; Skerlj, RT; Schols, D; Bridger, GJ; Schwartz, TW University of Copenhagen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50035719 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50035719&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 460344 103943664 CHEMBL122226 ZINC22875086 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50392034 C(NCc1ccc(CN2CCCNCCNCCCNCC2)cc1)c1ccccc1 InChI=1S/C25H39N5/c1-2-6-23(7-3-1)20-29-21-24-8-10-25(11-9-24)22-30-18-5-14-27-16-15-26-12-4-13-28-17-19-30/h1-3,6-11,26-29H,4-5,12-22H2 YRMKTQNDPSHONR-UHFFFAOYSA-N 50270277 Benzyl-[4-(1,4,8,11tetraaza-cyclotetradec-1-ylmethyl)-benzyl]-amine::CHEMBL478168::N-[1,4,8,11-Tetraazacyclotetradecanyl-1,4-phenylenebis(methylene)]-benzylamine C-X-C chemokine receptor type 4 1700 ChEMBL 10.1074/jbc.M704739200 10.7270/Q26Q1X1Q 17599916 Rosenkilde, MM; Gerlach, LO; Hatse, S; Skerlj, RT; Schols, D; Bridger, GJ; Schwartz, TW University of Copenhagen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270277 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270277&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 483570 104115636 CHEMBL478168 ZINC22877066 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50392035 C(NCc1ccccn1)c1ccc(CN2CCCNCCNCCCNCC2)cc1 InChI=1S/C24H38N6/c1-2-13-29-24(5-1)20-28-19-22-6-8-23(9-7-22)21-30-17-4-12-26-15-14-25-10-3-11-27-16-18-30/h1-2,5-9,13,25-28H,3-4,10-12,14-21H2 CWJJHESJXJQCJA-UHFFFAOYSA-N 50270276 CHEMBL477121::N-[1,4,8,11-Tetraazacyclotetradecanyl-1,4-phenylenebis(methylene)]-2-(amino-methyl)pyridine::Pyridin-2-ylmethyl-[4-(1,4,8,11tetraaza-cyclotetradec-1-ylmethyl)-benzyl]-amine C-X-C chemokine receptor type 4 10 ChEMBL 10.1074/jbc.M704739200 10.7270/Q26Q1X1Q 17599916 Rosenkilde, MM; Gerlach, LO; Hatse, S; Skerlj, RT; Schols, D; Bridger, GJ; Schwartz, TW University of Copenhagen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270276 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270276&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 483559 104115635 CHEMBL477121 ZINC19361903 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50392036 C(NCc1ccccn1)c1ccc(CN2CCCNCCNCCCNCC2)cc1 InChI=1S/C24H38N6/c1-2-13-29-24(5-1)20-28-19-22-6-8-23(9-7-22)21-30-17-4-12-26-15-14-25-10-3-11-27-16-18-30/h1-2,5-9,13,25-28H,3-4,10-12,14-21H2 CWJJHESJXJQCJA-UHFFFAOYSA-N 50270276 CHEMBL477121::N-[1,4,8,11-Tetraazacyclotetradecanyl-1,4-phenylenebis(methylene)]-2-(amino-methyl)pyridine::Pyridin-2-ylmethyl-[4-(1,4,8,11tetraaza-cyclotetradec-1-ylmethyl)-benzyl]-amine C-X-C chemokine receptor type 4 110 ChEMBL 10.1074/jbc.M704739200 10.7270/Q26Q1X1Q 17599916 Rosenkilde, MM; Gerlach, LO; Hatse, S; Skerlj, RT; Schols, D; Bridger, GJ; Schwartz, TW University of Copenhagen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270276 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270276&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 483559 104115635 CHEMBL477121 ZINC19361903 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50392037 C(N1CCCNCCNCCCNCC1)c1ccc(CN2CCCNCCNCCCNCC2)cc1 InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2 YIQPUIGJQJDJOS-UHFFFAOYSA-N 50035696 1,1''-{1,4-phenylenebis(methylene)}-bis{1,4,8,11-tetraaza-cyclotetradecane}::1,4,8,11-tetraazacyclotetradecanyl[4-(1,4,8,11-tetraazacyclotetradecanylmethyl)phenyl]methane::1,4,8,11-tetraazacyclotetradecanyl[4-(1,4,8,11-tetraazacyclotetradecanylmethyl)phenyl]methane(8HBr.2H2O)::1,4-bis((1,4,8,11-tetraazacyclotetradecan-1-yl)methyl)benzene::11''-xylyl bis-1,4,8,11-tetraazacyclotetradecane::11-{4-[4,8, 11-1,4,8,11tetraaza-cyclotetradec-1-ylmethyl]-benzyl}-1,4,8,11tetraaza-cyclotetradecane-1,4,8-tricarboxylic acid tri-tert-butyl ester::AMD-3100::CHEMBL18442::CHEMBL2311089::PLERIXAFOR::PLERIXAFOR OCTAHYDROCHLORIDE::US9205085, MSX-162 C-X-C chemokine receptor type 4 220 ChEMBL 10.1074/jbc.M704739200 10.7270/Q26Q1X1Q 17599916 Rosenkilde, MM; Gerlach, LO; Hatse, S; Skerlj, RT; Schols, D; Bridger, GJ; Schwartz, TW University of Copenhagen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50035696 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50035696&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 65015 103943663 CHEMBL2311089CHEMBL18442 DB06809 844 ZINC22443609 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50392038 C(N1CCCNCCNCCCNCC1)c1ccc(CN2CCCNCCNCCCNCC2)cc1 InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2 YIQPUIGJQJDJOS-UHFFFAOYSA-N 50035696 1,1''-{1,4-phenylenebis(methylene)}-bis{1,4,8,11-tetraaza-cyclotetradecane}::1,4,8,11-tetraazacyclotetradecanyl[4-(1,4,8,11-tetraazacyclotetradecanylmethyl)phenyl]methane::1,4,8,11-tetraazacyclotetradecanyl[4-(1,4,8,11-tetraazacyclotetradecanylmethyl)phenyl]methane(8HBr.2H2O)::1,4-bis((1,4,8,11-tetraazacyclotetradecan-1-yl)methyl)benzene::11''-xylyl bis-1,4,8,11-tetraazacyclotetradecane::11-{4-[4,8, 11-1,4,8,11tetraaza-cyclotetradec-1-ylmethyl]-benzyl}-1,4,8,11tetraaza-cyclotetradecane-1,4,8-tricarboxylic acid tri-tert-butyl ester::AMD-3100::CHEMBL18442::CHEMBL2311089::PLERIXAFOR::PLERIXAFOR OCTAHYDROCHLORIDE::US9205085, MSX-162 C-X-C chemokine receptor type 4 890 ChEMBL 10.1074/jbc.M704739200 10.7270/Q26Q1X1Q 17599916 Rosenkilde, MM; Gerlach, LO; Hatse, S; Skerlj, RT; Schols, D; Bridger, GJ; Schwartz, TW University of Copenhagen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50035696 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50035696&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 65015 103943663 CHEMBL2311089CHEMBL18442 DB06809 844 ZINC22443609 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50396428 C(N1CCCNCCNCCCNCC1)c1ccc(CN2CCCNCCNCCCNCC2)cc1 InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2 YIQPUIGJQJDJOS-UHFFFAOYSA-N 50035696 1,1''-{1,4-phenylenebis(methylene)}-bis{1,4,8,11-tetraaza-cyclotetradecane}::1,4,8,11-tetraazacyclotetradecanyl[4-(1,4,8,11-tetraazacyclotetradecanylmethyl)phenyl]methane::1,4,8,11-tetraazacyclotetradecanyl[4-(1,4,8,11-tetraazacyclotetradecanylmethyl)phenyl]methane(8HBr.2H2O)::1,4-bis((1,4,8,11-tetraazacyclotetradecan-1-yl)methyl)benzene::11''-xylyl bis-1,4,8,11-tetraazacyclotetradecane::11-{4-[4,8, 11-1,4,8,11tetraaza-cyclotetradec-1-ylmethyl]-benzyl}-1,4,8,11tetraaza-cyclotetradecane-1,4,8-tricarboxylic acid tri-tert-butyl ester::AMD-3100::CHEMBL18442::CHEMBL2311089::PLERIXAFOR::PLERIXAFOR OCTAHYDROCHLORIDE::US9205085, MSX-162 C-X-C chemokine receptor type 4 0.81 ChEMBL 10.1074/jbc.M705302200 10.7270/Q27M07Q9 17715128 Sohy, D; Parmentier, M; Springael, JY Université Libre de Bruxelles http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50035696 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50035696&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 65015 103943663 CHEMBL2311089CHEMBL18442 DB06809 844 ZINC22443609 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50395884 C(N1CCC(CC1)c1[nH]ncc1Cc1ccccc1)c1ccncc1 InChI=1S/C21H24N4/c1-2-4-17(5-3-1)14-20-15-23-24-21(20)19-8-12-25(13-9-19)16-18-6-10-22-11-7-18/h1-7,10-11,15,19H,8-9,12-14,16H2,(H,23,24) DZLOTZYSSWSJCR-UHFFFAOYSA-N 50112266 CHEMBL3608763 C-X-C chemokine receptor type 4 70000 ChEMBL 10.1021/acsmedchemlett.5b00036 10.7270/Q2K64KVQ 26191361 Cox, BD; Prosser, AR; Sun, Y; Li, Z; Lee, S; Huang, MB; Bond, VC; Snyder, JP; Krystal, M; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50112266 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50112266&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 56750906 319493544 CHEMBL3608763 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50395885 C(N1CCC(CC1)c1[nH]ncc1Cc1ccccc1)c1ccncc1 InChI=1S/C21H24N4/c1-2-4-17(5-3-1)14-20-15-23-24-21(20)19-8-12-25(13-9-19)16-18-6-10-22-11-7-18/h1-7,10-11,15,19H,8-9,12-14,16H2,(H,23,24) DZLOTZYSSWSJCR-UHFFFAOYSA-N 50112266 CHEMBL3608763 C-X-C chemokine receptor type 4 52000 ChEMBL 10.1021/acsmedchemlett.5b00036 10.7270/Q2K64KVQ 26191361 Cox, BD; Prosser, AR; Sun, Y; Li, Z; Lee, S; Huang, MB; Bond, VC; Snyder, JP; Krystal, M; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50112266 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50112266&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 56750906 319493544 CHEMBL3608763 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50395886 C(N1CCC(CC1)c1[nH]ncc1Cc1ccccc1)c1ccncc1 InChI=1S/C21H24N4/c1-2-4-17(5-3-1)14-20-15-23-24-21(20)19-8-12-25(13-9-19)16-18-6-10-22-11-7-18/h1-7,10-11,15,19H,8-9,12-14,16H2,(H,23,24) DZLOTZYSSWSJCR-UHFFFAOYSA-N 50112266 CHEMBL3608763 C-X-C chemokine receptor type 4 1200 ChEMBL 10.1021/acsmedchemlett.5b00036 10.7270/Q2K64KVQ 26191361 Cox, BD; Prosser, AR; Sun, Y; Li, Z; Lee, S; Huang, MB; Bond, VC; Snyder, JP; Krystal, M; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50112266 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50112266&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 56750906 319493544 CHEMBL3608763 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50395887 C(N1CCC(CC1)c1[nH]ncc1Cc1ccccc1)c1ccncc1 InChI=1S/C21H24N4/c1-2-4-17(5-3-1)14-20-15-23-24-21(20)19-8-12-25(13-9-19)16-18-6-10-22-11-7-18/h1-7,10-11,15,19H,8-9,12-14,16H2,(H,23,24) DZLOTZYSSWSJCR-UHFFFAOYSA-N 50112266 CHEMBL3608763 C-X-C chemokine receptor type 4 10000 ChEMBL 10.1021/acsmedchemlett.5b00036 10.7270/Q2K64KVQ 26191361 Cox, BD; Prosser, AR; Sun, Y; Li, Z; Lee, S; Huang, MB; Bond, VC; Snyder, JP; Krystal, M; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50112266 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50112266&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 56750906 319493544 CHEMBL3608763 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50404544 NCCCC[C@@H]1NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC1=O)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N InChI=1S/C90H141N33O18S2/c91-35-5-3-17-59-75(130)117-64(18-4-6-36-92)84(139)123-43-13-24-70(123)83(138)120-66(46-51-28-33-56(125)34-29-51)79(134)116-61(21-10-40-108-88(101)102)74(129)114-63(23-12-42-110-90(104)141)77(132)121-68(81(136)111-58(71(94)126)19-8-38-106-86(97)98)48-142-143-49-69(82(137)119-65(45-50-26-31-55(124)32-27-50)78(133)115-62(73(128)113-59)22-11-41-109-89(103)140)122-80(135)67(47-52-25-30-53-14-1-2-15-54(53)44-52)118-76(131)60(20-9-39-107-87(99)100)112-72(127)57(93)16-7-37-105-85(95)96/h1-2,14-15,25-34,44,57-70,124-125H,3-13,16-24,35-43,45-49,91-93H2,(H2,94,126)(H,111,136)(H,112,127)(H,113,128)(H,114,129)(H,115,133)(H,116,134)(H,117,130)(H,118,131)(H,119,137)(H,120,138)(H,121,132)(H,122,135)(H4,95,96,105)(H4,97,98,106)(H4,99,100,107)(H4,101,102,108)(H3,103,109,140)(H3,104,110,141)/t57-,58-,59-,60-,61-,62-,63-,64+,65-,66-,67-,68-,69-,70-/m0/s1 DGQKRQOCJFODHN-OIHVMPBRSA-N 50225416 CHEMBL393882::TN-14003 C-X-C chemokine receptor type 4 0.6 ChEMBL 10.1021/jm070679i 10.7270/Q2X066RM 17958344 Zhan, W; Liang, Z; Zhu, A; Kurtkaya, S; Shim, H; Snyder, JP; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50225416 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50225416&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 91935655 104096722 CHEMBL393882 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50404545 C(Nc1ccccn1)c1ccc(CNc2ccccn2)cc1 InChI=1S/C18H18N4/c1-3-11-19-17(5-1)21-13-15-7-9-16(10-8-15)14-22-18-6-2-4-12-20-18/h1-12H,13-14H2,(H,19,21)(H,20,22) KBVFRXIGQQRMEF-UHFFFAOYSA-N 50225415 CHEMBL237830::N,N'-di-2-pyridinyl-1,4-benzenedimethanamine::US9205085, MSX- 121::WZ-811 C-X-C chemokine receptor type 4 0.3 ChEMBL 10.1021/jm070679i 10.7270/Q2X066RM 17958344 Zhan, W; Liang, Z; Zhu, A; Kurtkaya, S; Shim, H; Snyder, JP; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50225415 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50225415&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 11565518 104096721 CHEMBL237830 ZINC28863086 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50430802 CC(=O)N[C@@H](CCCCNC(=O)CSC[C@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCNC(=O)CS[C@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O)C(N)=O InChI=1S/C181H251N45O35S2/c1-105(227)197-121(37-7-9-72-191-145(230)103-262-102-126-156(241)205-122(98-106-62-68-114(228)69-63-106)152(237)201-117(38-10-74-193-178(183)184)148(233)199-119(40-12-76-195-180(187)188)150(235)203-124(154(239)207-126)100-108-60-66-110-32-2-4-34-112(110)96-108)160(244)210-79-15-43-128(210)162(246)212-81-17-45-130(212)164(248)214-83-19-47-132(214)166(250)216-85-21-49-134(216)168(252)218-87-23-51-136(218)170(254)220-89-25-53-138(220)172(256)222-91-27-55-140(222)174(258)224-93-29-57-142(224)176(260)226-95-31-59-144(226)177(261)225-94-30-58-143(225)175(259)223-92-28-56-141(223)173(257)221-90-26-54-139(221)171(255)219-88-24-52-137(219)169(253)217-86-22-50-135(217)167(251)215-84-20-48-133(215)165(249)213-82-18-46-131(213)163(247)211-80-16-44-129(211)161(245)209-78-14-42-127(209)157(242)198-116(147(182)232)36-6-8-73-192-146(231)104-263-159-158(243)206-123(99-107-64-70-115(229)71-65-107)153(238)202-118(39-11-75-194-179(185)186)149(234)200-120(41-13-77-196-181(189)190)151(236)204-125(155(240)208-159)101-109-61-67-111-33-3-5-35-113(111)97-109/h2-5,32-35,60-71,96-97,116-144,159,228-229H,6-31,36-59,72-95,98-104H2,1H3,(H2,182,232)(H,191,230)(H,192,231)(H,197,227)(H,198,242)(H,199,233)(H,200,234)(H,201,237)(H,202,238)(H,203,235)(H,204,236)(H,205,241)(H,206,243)(H,207,239)(H,208,240)(H4,183,184,193)(H4,185,186,194)(H4,187,188,195)(H4,189,190,196)/t116-,117-,118-,119-,120-,121-,122+,123+,124-,125-,126+,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,159+/m0/s1 URXBPDRUVWECDR-SKNUWGJKSA-N 50128522 CHEMBL3627930 C-X-C chemokine receptor type 4 44 ChEMBL 10.1016/j.bmc.2015.09.040 10.7270/Q2FX7C96 26453409 Nomura, W; Aikawa, H; Taketomi, S; Tanabe, M; Mizuguchi, T; Tamamura, H Tokyo Medical and Dental University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50128522 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50128522&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 122193010 104020286 CHEMBL3627930 ZINC26388994 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50430803 NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CSCC(=O)NCCCC[C@H](NC(=O)CCCNC(=O)CCCCCN=[N+]=[N-])C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCNC(=O)CS[C@@H]2NC(=O)[C@H](Cc3ccc4ccccc4c3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc3ccc(O)cc3)NC2=O)C(N)=O)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O InChI=1S/C189H265N49O36S2/c190-155(245)122(39-7-10-78-202-154(244)111-276-167-166(256)217-129(106-113-69-75-121(240)76-70-113)161(251)213-124(42-13-81-204-187(193)194)157(247)211-126(44-15-83-206-189(197)198)159(249)215-131(163(253)219-167)108-115-66-72-117-36-4-6-38-119(117)104-115)209-165(255)133-45-17-85-221(133)169(258)135-47-19-87-223(135)171(260)137-49-21-89-225(137)173(262)139-51-23-91-227(139)175(264)141-53-25-93-229(141)177(266)143-55-27-95-231(143)179(268)145-57-29-97-233(145)181(270)147-59-31-99-235(147)183(272)149-61-33-101-237(149)185(274)150-62-34-102-238(150)184(273)148-60-32-100-236(148)182(271)146-58-30-98-234(146)180(269)144-56-28-96-232(144)178(267)142-54-26-94-230(142)176(265)140-52-24-92-228(140)174(263)138-50-22-90-226(138)172(261)136-48-20-88-224(136)170(259)134-46-18-86-222(134)168(257)127(208-152(242)64-16-79-200-151(241)63-2-1-9-84-207-220-199)40-8-11-77-201-153(243)110-275-109-132-164(254)216-128(105-112-67-73-120(239)74-68-112)160(250)212-123(41-12-80-203-186(191)192)156(246)210-125(43-14-82-205-188(195)196)158(248)214-130(162(252)218-132)107-114-65-71-116-35-3-5-37-118(116)103-114/h3-6,35-38,65-76,103-104,122-150,167,239-240H,1-2,7-34,39-64,77-102,105-111H2,(H2,190,245)(H,200,241)(H,201,243)(H,202,244)(H,208,242)(H,209,255)(H,210,246)(H,211,247)(H,212,250)(H,213,251)(H,214,248)(H,215,249)(H,216,254)(H,217,256)(H,218,252)(H,219,253)(H4,191,192,203)(H4,193,194,204)(H4,195,196,205)(H4,197,198,206)/t122-,123-,124-,125-,126-,127-,128+,129+,130-,131-,132+,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,167-/m0/s1 HWRJPKRFDYQTMY-JMDIYLTGSA-N 50128523 CHEMBL3628613 C-X-C chemokine receptor type 4 86 ChEMBL 10.1016/j.bmc.2015.09.040 10.7270/Q2FX7C96 26453409 Nomura, W; Aikawa, H; Taketomi, S; Tanabe, M; Mizuguchi, T; Tamamura, H Tokyo Medical and Dental University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50128523 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50128523&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 122193608 104020287 CHEMBL3628613 ZINC26379381 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50425929 NCCCCN(C[C@@H]1CN(Cc2ccccc2)CCN1)[C@H]1CCCc2cccnc12 InChI=1S/C25H37N5/c26-13-4-5-16-30(24-12-6-10-22-11-7-14-28-25(22)24)20-23-19-29(17-15-27-23)18-21-8-2-1-3-9-21/h1-3,7-9,11,14,23-24,27H,4-6,10,12-13,15-20,26H2/t23-,24-/m0/s1 FSFDEFLPJSVACO-ZEQRLZLVSA-N 50125945 CHEMBL3627792 C-X-C chemokine receptor type 4 2920 ChEMBL 10.1016/j.bmcl.2015.04.036 10.7270/Q24Q7WST 25935642 Zhao, H; Prosser, AR; Liotta, DC; Wilson, LJ Emory Institute for Drug Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50125945 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50125945&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 57345321 104018119 CHEMBL3627792 ZINC13488706 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50425930 NCCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 InChI=1S/C23H32N4/c24-12-3-4-14-27(22-11-5-9-18-10-6-13-25-23(18)22)17-21-15-19-7-1-2-8-20(19)16-26-21/h1-2,6-8,10,13,21-22,26H,3-5,9,11-12,14-17,24H2/t21-,22+/m1/s1 MYCKNKHATQGHEV-YADHBBJMSA-N 50443541 CHEMBL3091687 C-X-C chemokine receptor type 4 112 ChEMBL 10.1016/j.bmcl.2015.04.036 10.7270/Q24Q7WST 25935642 Zhao, H; Prosser, AR; Liotta, DC; Wilson, LJ Emory Institute for Drug Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50443541 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50443541&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 57345320 194941437 CHEMBL3091687 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50425931 NCCCCN(C[C@H]1CNCCN1)[C@H]1CCCc2cccnc12 InChI=1S/C18H31N5/c19-8-1-2-12-23(14-16-13-20-10-11-21-16)17-7-3-5-15-6-4-9-22-18(15)17/h4,6,9,16-17,20-21H,1-3,5,7-8,10-14,19H2/t16-,17+/m1/s1 NIFWLIOQZQVIEH-SJORKVTESA-N 50125946 CHEMBL3627788 C-X-C chemokine receptor type 4 255 ChEMBL 10.1016/j.bmcl.2015.04.036 10.7270/Q24Q7WST 25935642 Zhao, H; Prosser, AR; Liotta, DC; Wilson, LJ Emory Institute for Drug Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50125946 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50125946&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 122192916 104018120 CHEMBL3627788 ZINC13488698 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50425932 NCCCCN(C[C@@H]1CNCCN1)[C@H]1CCCc2cccnc12 InChI=1S/C18H31N5/c19-8-1-2-12-23(14-16-13-20-10-11-21-16)17-7-3-5-15-6-4-9-22-18(15)17/h4,6,9,16-17,20-21H,1-3,5,7-8,10-14,19H2/t16-,17-/m0/s1 NIFWLIOQZQVIEH-IRXDYDNUSA-N 50125947 CHEMBL3627789 C-X-C chemokine receptor type 4 1200 ChEMBL 10.1016/j.bmcl.2015.04.036 10.7270/Q24Q7WST 25935642 Zhao, H; Prosser, AR; Liotta, DC; Wilson, LJ Emory Institute for Drug Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50125947 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50125947&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 122192917 104018121 CHEMBL3627789 ZINC01492370 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50425933 NCCCCN(CC1CN(CCN1)c1ccccc1)[C@H]1CCCc2cccnc12 InChI=1S/C24H35N5/c25-13-4-5-16-29(23-12-6-8-20-9-7-14-27-24(20)23)19-21-18-28(17-15-26-21)22-10-2-1-3-11-22/h1-3,7,9-11,14,21,23,26H,4-6,8,12-13,15-19,25H2/t21?,23-/m0/s1 UHSPBYGMFDJODE-YANBTOMASA-N 50125948 CHEMBL3627790 C-X-C chemokine receptor type 4 130 ChEMBL 10.1016/j.bmcl.2015.04.036 10.7270/Q24Q7WST 25935642 Zhao, H; Prosser, AR; Liotta, DC; Wilson, LJ Emory Institute for Drug Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50125948 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50125948&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 122192918 104018122 CHEMBL3627790 ZINC13488703 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50425934 NCCCCN(C[C@H]1CN(Cc2ccccc2)CCN1)[C@H]1CCCc2cccnc12 InChI=1S/C25H37N5/c26-13-4-5-16-30(24-12-6-10-22-11-7-14-28-25(22)24)20-23-19-29(17-15-27-23)18-21-8-2-1-3-9-21/h1-3,7-9,11,14,23-24,27H,4-6,10,12-13,15-20,26H2/t23-,24+/m1/s1 FSFDEFLPJSVACO-RPWUZVMVSA-N 50125949 CHEMBL3627791 C-X-C chemokine receptor type 4 230 ChEMBL 10.1016/j.bmcl.2015.04.036 10.7270/Q24Q7WST 25935642 Zhao, H; Prosser, AR; Liotta, DC; Wilson, LJ Emory Institute for Drug Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50125949 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50125949&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 57345322 104018123 CHEMBL3627791 ZINC13488696 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50425935 NCCCCN(C[C@@H]1CN(Cc2ccccc2)CCN1)[C@H]1CCCc2cccnc12 InChI=1S/C25H37N5/c26-13-4-5-16-30(24-12-6-10-22-11-7-14-28-25(22)24)20-23-19-29(17-15-27-23)18-21-8-2-1-3-9-21/h1-3,7-9,11,14,23-24,27H,4-6,10,12-13,15-20,26H2/t23-,24-/m0/s1 FSFDEFLPJSVACO-ZEQRLZLVSA-N 50125945 CHEMBL3627792 C-X-C chemokine receptor type 4 2920 ChEMBL 10.1016/j.bmcl.2015.04.036 10.7270/Q24Q7WST 25935642 Zhao, H; Prosser, AR; Liotta, DC; Wilson, LJ Emory Institute for Drug Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50125945 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50125945&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 57345321 104018119 CHEMBL3627792 ZINC13488706 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50425936 NCCCCN(C[C@H]1CN(CCN1)C(=O)c1ccccc1)[C@H]1CCCc2cccnc12 InChI=1S/C25H35N5O/c26-13-4-5-16-29(23-12-6-10-20-11-7-14-28-24(20)23)18-22-19-30(17-15-27-22)25(31)21-8-2-1-3-9-21/h1-3,7-9,11,14,22-23,27H,4-6,10,12-13,15-19,26H2/t22-,23-/m0/s1 JJZSEBXEANIJCP-GOTSBHOMSA-N 50125950 CHEMBL3627793 C-X-C chemokine receptor type 4 2.0 ChEMBL 10.1016/j.bmcl.2015.04.036 10.7270/Q24Q7WST 25935642 Zhao, H; Prosser, AR; Liotta, DC; Wilson, LJ Emory Institute for Drug Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50125950 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50125950&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 57343753 104018124 CHEMBL3627793 ZINC13488705 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50425937 NCCCCN(C[C@@H]1CN(CCN1)C(=O)c1ccccc1)[C@H]1CCCc2cccnc12 InChI=1S/C25H35N5O/c26-13-4-5-16-29(23-12-6-10-20-11-7-14-28-24(20)23)18-22-19-30(17-15-27-22)25(31)21-8-2-1-3-9-21/h1-3,7-9,11,14,22-23,27H,4-6,10,12-13,15-19,26H2/t22-,23+/m1/s1 JJZSEBXEANIJCP-PKTZIBPZSA-N 50125951 CHEMBL3627794 C-X-C chemokine receptor type 4 6.0 ChEMBL 10.1016/j.bmcl.2015.04.036 10.7270/Q24Q7WST 25935642 Zhao, H; Prosser, AR; Liotta, DC; Wilson, LJ Emory Institute for Drug Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50125951 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50125951&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 57343752 104018125 CHEMBL3627794 ZINC01492371 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50425938 NCCCCN(C[C@@H]1CN(CCN1)C(=O)c1ccco1)[C@H]1CCCc2cccnc12 InChI=1S/C23H33N5O2/c24-10-1-2-13-27(20-8-3-6-18-7-4-11-26-22(18)20)16-19-17-28(14-12-25-19)23(29)21-9-5-15-30-21/h4-5,7,9,11,15,19-20,25H,1-3,6,8,10,12-14,16-17,24H2/t19-,20+/m1/s1 QNPWTRQESWAOET-UXHICEINSA-N 50125952 CHEMBL3627798 C-X-C chemokine receptor type 4 35 ChEMBL 10.1016/j.bmcl.2015.04.036 10.7270/Q24Q7WST 25935642 Zhao, H; Prosser, AR; Liotta, DC; Wilson, LJ Emory Institute for Drug Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50125952 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50125952&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 122192922 104018126 CHEMBL3627798 ZINC13488701 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50425939 NCCCCN(C[C@H]1CN(CCN1)C(=O)OCc1ccccc1)[C@H]1CCCc2cccnc12 InChI=1S/C26H37N5O2/c27-13-4-5-16-30(24-12-6-10-22-11-7-14-29-25(22)24)18-23-19-31(17-15-28-23)26(32)33-20-21-8-2-1-3-9-21/h1-3,7-9,11,14,23-24,28H,4-6,10,12-13,15-20,27H2/t23-,24-/m0/s1 CZHUHYRWCIYDBB-ZEQRLZLVSA-N 50125953 CHEMBL3627799 C-X-C chemokine receptor type 4 18 ChEMBL 10.1016/j.bmcl.2015.04.036 10.7270/Q24Q7WST 25935642 Zhao, H; Prosser, AR; Liotta, DC; Wilson, LJ Emory Institute for Drug Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50125953 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50125953&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 122192923 104018127 CHEMBL3627799 ZINC13488702 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50425940 NCCCCN(C[C@H]1CN(CCN1)S(=O)(=O)c1ccccc1)[C@H]1CCCc2cccnc12 InChI=1S/C24H35N5O2S/c25-13-4-5-16-28(23-12-6-8-20-9-7-14-27-24(20)23)18-21-19-29(17-15-26-21)32(30,31)22-10-2-1-3-11-22/h1-3,7,9-11,14,21,23,26H,4-6,8,12-13,15-19,25H2/t21-,23-/m0/s1 UAQQVOLUJKQMGC-GMAHTHKFSA-N 50125954 CHEMBL3627858 C-X-C chemokine receptor type 4 2.0 ChEMBL 10.1016/j.bmcl.2015.04.036 10.7270/Q24Q7WST 25935642 Zhao, H; Prosser, AR; Liotta, DC; Wilson, LJ Emory Institute for Drug Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50125954 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50125954&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 122192964 104018128 CHEMBL3627858 ZINC13488697 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50425941 NCCCCN(C[C@@H]1CN(CCN1)S(=O)(=O)c1ccccc1)[C@H]1CCCc2cccnc12 InChI=1S/C24H35N5O2S/c25-13-4-5-16-28(23-12-6-8-20-9-7-14-27-24(20)23)18-21-19-29(17-15-26-21)32(30,31)22-10-2-1-3-11-22/h1-3,7,9-11,14,21,23,26H,4-6,8,12-13,15-19,25H2/t21-,23+/m1/s1 UAQQVOLUJKQMGC-GGAORHGYSA-N 50125955 CHEMBL3627859 C-X-C chemokine receptor type 4 23 ChEMBL 10.1016/j.bmcl.2015.04.036 10.7270/Q24Q7WST 25935642 Zhao, H; Prosser, AR; Liotta, DC; Wilson, LJ Emory Institute for Drug Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50125955 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50125955&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 122192965 104018129 CHEMBL3627859 ZINC13488704 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50425942 NCCCCN(C[C@H]1CN(CCN1)S(=O)(=O)c1ccc2ccccc2c1)[C@H]1CCCc2cccnc12 InChI=1S/C28H37N5O2S/c29-14-3-4-17-32(27-11-5-9-23-10-6-15-31-28(23)27)20-25-21-33(18-16-30-25)36(34,35)26-13-12-22-7-1-2-8-24(22)19-26/h1-2,6-8,10,12-13,15,19,25,27,30H,3-5,9,11,14,16-18,20-21,29H2/t25-,27-/m0/s1 RBVVREZHHVXSTH-BDYUSTAISA-N 50125956 CHEMBL3627860 C-X-C chemokine receptor type 4 71 ChEMBL 10.1016/j.bmcl.2015.04.036 10.7270/Q24Q7WST 25935642 Zhao, H; Prosser, AR; Liotta, DC; Wilson, LJ Emory Institute for Drug Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50125956 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50125956&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 122192966 104018130 CHEMBL3627860 ZINC13488700 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50425943 NCCCCN(C[C@H]1CN(CCN1)S(=O)(=O)c1cc2ccccc2s1)[C@H]1CCCc2cccnc12 InChI=1S/C26H35N5O2S2/c27-12-3-4-15-30(23-10-5-8-20-9-6-13-29-26(20)23)18-22-19-31(16-14-28-22)35(32,33)25-17-21-7-1-2-11-24(21)34-25/h1-2,6-7,9,11,13,17,22-23,28H,3-5,8,10,12,14-16,18-19,27H2/t22-,23-/m0/s1 MNNBALJLXVSZMB-GOTSBHOMSA-N 50125957 CHEMBL3627861 C-X-C chemokine receptor type 4 39 ChEMBL 10.1016/j.bmcl.2015.04.036 10.7270/Q24Q7WST 25935642 Zhao, H; Prosser, AR; Liotta, DC; Wilson, LJ Emory Institute for Drug Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50125957 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50125957&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 122192967 321902294 CHEMBL3627861 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50425944 NCCCCN(C[C@H]1CN(CCN1)S(=O)(=O)c1ccc(Cl)cc1)[C@H]1CCCc2cccnc12 InChI=1S/C24H34ClN5O2S/c25-20-8-10-22(11-9-20)33(31,32)30-16-14-27-21(18-30)17-29(15-2-1-12-26)23-7-3-5-19-6-4-13-28-24(19)23/h4,6,8-11,13,21,23,27H,1-3,5,7,12,14-18,26H2/t21-,23-/m0/s1 KTFBAOCDATULSJ-GMAHTHKFSA-N 50125958 CHEMBL3627862 C-X-C chemokine receptor type 4 2.0 ChEMBL 10.1016/j.bmcl.2015.04.036 10.7270/Q24Q7WST 25935642 Zhao, H; Prosser, AR; Liotta, DC; Wilson, LJ Emory Institute for Drug Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50125958 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50125958&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 122192968 104018131 CHEMBL3627862 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50425945 NCCCCN(C[C@H]1CN(CCN1)C(=O)Nc1ccccc1)[C@H]1CCCc2cccnc12 InChI=1S/C25H36N6O/c26-13-4-5-16-30(23-12-6-8-20-9-7-14-28-24(20)23)18-22-19-31(17-15-27-22)25(32)29-21-10-2-1-3-11-21/h1-3,7,9-11,14,22-23,27H,4-6,8,12-13,15-19,26H2,(H,29,32)/t22-,23-/m0/s1 XQGSBOFMVILXJJ-GOTSBHOMSA-N 50125959 CHEMBL3627863 C-X-C chemokine receptor type 4 21000 ChEMBL 10.1016/j.bmcl.2015.04.036 10.7270/Q24Q7WST 25935642 Zhao, H; Prosser, AR; Liotta, DC; Wilson, LJ Emory Institute for Drug Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50125959 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50125959&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 122192969 104018132 CHEMBL3627863 ZINC28245936 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50428322 Cc1ccccc1Cn1nnc2c1C(=O)c1ccccc1C2=O InChI=1S/C18H13N3O2/c1-11-6-2-3-7-12(11)10-21-16-15(19-20-21)17(22)13-8-4-5-9-14(13)18(16)23/h2-9H,10H2,1H3 KEMMCAFUPKPXPJ-UHFFFAOYSA-N 50127136 CHEMBL1442185 C-X-C chemokine receptor type 4 >10000 ChEMBL 10.1021/acs.jmedchem.5b00921 10.7270/Q2JS9S7K 26348881 Wu, JS; Lin, SY; Liao, FY; Hsiao, WC; Lee, LC; Peng, YH; Hsieh, CL; Wu, MH; Song, JS; Yueh, A; Chen, CH; Yeh, SH; Liu, CY; Lin, SY; Yeh, TK; Hsu, JT; Shih, C; Ueng, SH; Hung, MS; Wu, SY National Health Research Institutes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50127136 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50127136&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 849733 104019072 CHEMBL1442185 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50428323 CN1CCN(CC1)C(=O)c1cccc(Cn2nnc3c2C(=O)c2ccccc2C3=O)c1 InChI=1S/C23H21N5O3/c1-26-9-11-27(12-10-26)23(31)16-6-4-5-15(13-16)14-28-20-19(24-25-28)21(29)17-7-2-3-8-18(17)22(20)30/h2-8,13H,9-12,14H2,1H3 XHMWOYOVGULXFN-UHFFFAOYSA-N 50127174 CHEMBL3628599 C-X-C chemokine receptor type 4 >10000 ChEMBL 10.1021/acs.jmedchem.5b00921 10.7270/Q2JS9S7K 26348881 Wu, JS; Lin, SY; Liao, FY; Hsiao, WC; Lee, LC; Peng, YH; Hsieh, CL; Wu, MH; Song, JS; Yueh, A; Chen, CH; Yeh, SH; Liu, CY; Lin, SY; Yeh, TK; Hsu, JT; Shih, C; Ueng, SH; Hung, MS; Wu, SY National Health Research Institutes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50127174 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50127174&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 122193596 321902540 CHEMBL3628599 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50417523 NC(N)=NCCCn1c(cc2cc(NC(=O)Cc3ccc(O)cc3)ccc12)C(=O)Nc1cccc2ccccc12 InChI=1S/C31H30N6O3/c32-31(33)34-15-4-16-37-27-14-11-23(35-29(39)17-20-9-12-24(38)13-10-20)18-22(27)19-28(37)30(40)36-26-8-3-6-21-5-1-2-7-25(21)26/h1-3,5-14,18-19,38H,4,15-17H2,(H,35,39)(H,36,40)(H4,32,33,34) INXAOUGHOPVDMG-UHFFFAOYSA-N 50244272 1-(3-Guanidino-propyl)-5-[2-(4-hydroxy-phenyl)-acetylamino]-1H-indole-2-carboxylic acid naphthalen-1-ylamide::CHEMBL518004 C-X-C chemokine receptor type 4 4800 ChEMBL 10.1016/j.bmcl.2008.05.092 10.7270/Q2PN95FP 18539453 Ueda, S; Kato, M; Inuki, S; Ohno, H; Evans, B; Wang, ZX; Peiper, SC; Izumi, K; Kodama, E; Matsuoka, M; Nagasawa, H; Oishi, S; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50244272 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50244272&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 44561487 104100332 CHEMBL518004 ZINC42877324 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50417524 NC(N)=NCCCn1c(cc2cc(NC(=O)C3CCN(CC3)C(N)=N)ccc12)C(=O)NCCc1c[nH]c2ccccc12 InChI=1S/C30H38N10O2/c31-29(32)36-11-3-13-40-25-7-6-22(38-27(41)19-9-14-39(15-10-19)30(33)34)16-21(25)17-26(40)28(42)35-12-8-20-18-37-24-5-2-1-4-23(20)24/h1-2,4-7,16-19,37H,3,8-15H2,(H3,33,34)(H,35,42)(H,38,41)(H4,31,32,36) LNFFAWJXUOAUHO-UHFFFAOYSA-N 50244243 5-[(1-Carbamimidoyl-piperidine-4-carbonyl)-amino]-1-(3-guanidino-propyl)-1H-indole-2-carboxylic acid [2-(1H-indol-3-yl)-ethyl]-amide::CHEMBL443092 C-X-C chemokine receptor type 4 3000 ChEMBL 10.1016/j.bmcl.2008.05.092 10.7270/Q2PN95FP 18539453 Ueda, S; Kato, M; Inuki, S; Ohno, H; Evans, B; Wang, ZX; Peiper, SC; Izumi, K; Kodama, E; Matsuoka, M; Nagasawa, H; Oishi, S; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50244243 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50244243&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 44561446 104100308 CHEMBL443092 ZINC44280654 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50417525 NC(N)=NCCCn1c(cc2cc(NC(=O)CN=C(N)N)ccc12)C(=O)NCCc1c[nH]c2ccccc12 InChI=1S/C26H32N10O2/c27-25(28)32-9-3-11-36-21-7-6-18(35-23(37)15-34-26(29)30)12-17(21)13-22(36)24(38)31-10-8-16-14-33-20-5-2-1-4-19(16)20/h1-2,4-7,12-14,33H,3,8-11,15H2,(H,31,38)(H,35,37)(H4,27,28,32)(H4,29,30,34) ZXBHUQJCXZWNQY-UHFFFAOYSA-N 50244271 5-(2-Guanidino-acetylamino)-1-(3-guanidino-propyl)-1H-indole-2-carboxylic acid [2-(1H-indol-3-yl)-ethyl]-amide::CHEMBL472323 C-X-C chemokine receptor type 4 3000 ChEMBL 10.1016/j.bmcl.2008.05.092 10.7270/Q2PN95FP 18539453 Ueda, S; Kato, M; Inuki, S; Ohno, H; Evans, B; Wang, ZX; Peiper, SC; Izumi, K; Kodama, E; Matsuoka, M; Nagasawa, H; Oishi, S; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50244271 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50244271&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 44561483 104100331 CHEMBL472323 ZINC40899799 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50417526 NC(N)=NCCC[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O InChI=1S/C36H47N11O6/c37-35(38)41-15-3-7-26-32(51)45-27(8-4-16-42-36(39)40)33(52)47-28(19-22-9-12-23-5-1-2-6-24(23)17-22)31(50)43-20-30(49)44-29(34(53)46-26)18-21-10-13-25(48)14-11-21/h1-2,5-6,9-14,17,26-29,48H,3-4,7-8,15-16,18-20H2,(H,43,50)(H,44,49)(H,45,51)(H,46,53)(H,47,52)(H4,37,38,41)(H4,39,40,42)/t26-,27-,28-,29+/m0/s1 MBXBICVKLVYNKD-XFTNXAEASA-N 50166106 CHEMBL436283::N-{3-[(2S,5S,8S,14R)-5-(3-Guanidino-propyl)-14-(4-hydroxy-benzyl)-8-naphthalen-2-ylmethyl-3,6,9,12,15-pentaoxo-1,4,7,10,13pentaaza-cyclopentadec-2-yl]-propyl}-guanidine::cyclo(-D-Tyr-Arg-Arg-Nal-Gly-) C-X-C chemokine receptor type 4 35 ChEMBL 10.1016/j.bmcl.2008.05.092 10.7270/Q2PN95FP 18539453 Ueda, S; Kato, M; Inuki, S; Ohno, H; Evans, B; Wang, ZX; Peiper, SC; Izumi, K; Kodama, E; Matsuoka, M; Nagasawa, H; Oishi, S; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50166106 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50166106&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 5275843 104051514 CHEMBL436283 ZINC03925712 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50417527 NC(N)=NCCCn1c(cc2cc(NC(=O)[C@@H](Cc3ccccc3)N=C(N)N)ccc12)C(=O)NCCc1c[nH]c2ccccc12 InChI=1S/C33H38N10O2/c34-32(35)39-14-6-16-43-28-12-11-24(41-30(44)27(42-33(36)37)17-21-7-2-1-3-8-21)18-23(28)19-29(43)31(45)38-15-13-22-20-40-26-10-5-4-9-25(22)26/h1-5,7-12,18-20,27,40H,6,13-17H2,(H,38,45)(H,41,44)(H4,34,35,39)(H4,36,37,42)/t27-/m1/s1 FTGLEOJXTVUCBP-HHHXNRCGSA-N 50244307 5-((R)-2-Guanidino-3-phenyl-propionylamino)-1-(3-guanidino-propyl)-1H-indole-2-carboxylic acid [2-(1H-indol-3-yl)-ethyl]-amide::CHEMBL446868 C-X-C chemokine receptor type 4 3700 ChEMBL 10.1016/j.bmcl.2008.05.092 10.7270/Q2PN95FP 18539453 Ueda, S; Kato, M; Inuki, S; Ohno, H; Evans, B; Wang, ZX; Peiper, SC; Izumi, K; Kodama, E; Matsuoka, M; Nagasawa, H; Oishi, S; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50244307 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50244307&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 44561527 104100362 CHEMBL446868 ZINC44305163 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50417528 NC(N)=NCCCn1c(cc2cc(NC(=O)[C@H](Cc3ccccc3)N=C(N)N)ccc12)C(=O)NCCc1c[nH]c2ccccc12 InChI=1S/C33H38N10O2/c34-32(35)39-14-6-16-43-28-12-11-24(41-30(44)27(42-33(36)37)17-21-7-2-1-3-8-21)18-23(28)19-29(43)31(45)38-15-13-22-20-40-26-10-5-4-9-25(22)26/h1-5,7-12,18-20,27,40H,6,13-17H2,(H,38,45)(H,41,44)(H4,34,35,39)(H4,36,37,42)/t27-/m0/s1 FTGLEOJXTVUCBP-MHZLTWQESA-N 50244306 5-((S)-2-Guanidino-3-phenyl-propionylamino)-1-(3-guanidino-propyl)-1H-indole-2-carboxylic acid [2-(1H-indol-3-yl)-ethyl]-amide::CHEMBL508684 C-X-C chemokine receptor type 4 1700 ChEMBL 10.1016/j.bmcl.2008.05.092 10.7270/Q2PN95FP 18539453 Ueda, S; Kato, M; Inuki, S; Ohno, H; Evans, B; Wang, ZX; Peiper, SC; Izumi, K; Kodama, E; Matsuoka, M; Nagasawa, H; Oishi, S; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50244306 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50244306&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 44561526 104100361 CHEMBL508684 ZINC42834783 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50417529 CC(C)C[C@@H](N=C(N)N)C(=O)Nc1ccc2n(CCCN=C(N)N)c(cc2c1)C(=O)NCCc1c[nH]c2ccccc12 InChI=1S/C30H40N10O2/c1-18(2)14-24(39-30(33)34)27(41)38-21-8-9-25-20(15-21)16-26(40(25)13-5-11-36-29(31)32)28(42)35-12-10-19-17-37-23-7-4-3-6-22(19)23/h3-4,6-9,15-18,24,37H,5,10-14H2,1-2H3,(H,35,42)(H,38,41)(H4,31,32,36)(H4,33,34,39)/t24-/m1/s1 CREJDTXJRYWTPO-XMMPIXPASA-N 50244305 5-((R)-2-Guanidino-4-methyl-pentanoylamino)-1-(3-guanidino-propyl)-1H-indole-2-carboxylic acid [2-(1H-indol-3-yl)-ethyl]-amide::CHEMBL450041 C-X-C chemokine receptor type 4 2200 ChEMBL 10.1016/j.bmcl.2008.05.092 10.7270/Q2PN95FP 18539453 Ueda, S; Kato, M; Inuki, S; Ohno, H; Evans, B; Wang, ZX; Peiper, SC; Izumi, K; Kodama, E; Matsuoka, M; Nagasawa, H; Oishi, S; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50244305 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50244305&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 44561525 104100360 CHEMBL450041 ZINC44351677 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50417530 CC(C)C[C@H](N=C(N)N)C(=O)Nc1ccc2n(CCCN=C(N)N)c(cc2c1)C(=O)NCCc1c[nH]c2ccccc12 InChI=1S/C30H40N10O2/c1-18(2)14-24(39-30(33)34)27(41)38-21-8-9-25-20(15-21)16-26(40(25)13-5-11-36-29(31)32)28(42)35-12-10-19-17-37-23-7-4-3-6-22(19)23/h3-4,6-9,15-18,24,37H,5,10-14H2,1-2H3,(H,35,42)(H,38,41)(H4,31,32,36)(H4,33,34,39)/t24-/m0/s1 CREJDTXJRYWTPO-DEOSSOPVSA-N 50244304 5-((S)-2-Guanidino-4-methyl-pentanoylamino)-1-(3-guanidino-propyl)-1H-indole-2-carboxylic acid [2-(1H-indol-3-yl)-ethyl]-amide::CHEMBL450815 C-X-C chemokine receptor type 4 1200 ChEMBL 10.1016/j.bmcl.2008.05.092 10.7270/Q2PN95FP 18539453 Ueda, S; Kato, M; Inuki, S; Ohno, H; Evans, B; Wang, ZX; Peiper, SC; Izumi, K; Kodama, E; Matsuoka, M; Nagasawa, H; Oishi, S; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50244304 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50244304&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 24894090 104100359 CHEMBL450815 ZINC42804878 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50417531 NC(N)=NCCc1cc2cc(NC(=O)CCc3ccc(O)cc3)ccc2n1CCc1ccc2ccccc2c1 InChI=1S/C32H33N5O2/c33-32(34)35-17-15-28-21-26-20-27(36-31(39)14-8-22-6-11-29(38)12-7-22)10-13-30(26)37(28)18-16-23-5-9-24-3-1-2-4-25(24)19-23/h1-7,9-13,19-21,38H,8,14-18H2,(H,36,39)(H4,33,34,35) WMEJDQOPUSKSFH-UHFFFAOYSA-N 50244303 CHEMBL480502::N-[2-(2-Guanidino-ethyl)-1-(2-naphthalen-2-yl-ethyl)-1H-indol-5-yl]-3-(4-hydroxy-phenyl)-propionamide C-X-C chemokine receptor type 4 2700 ChEMBL 10.1016/j.bmcl.2008.05.092 10.7270/Q2PN95FP 18539453 Ueda, S; Kato, M; Inuki, S; Ohno, H; Evans, B; Wang, ZX; Peiper, SC; Izumi, K; Kodama, E; Matsuoka, M; Nagasawa, H; Oishi, S; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50244303 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50244303&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 44561524 104100358 CHEMBL480502 ZINC40936666 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50440403 CCCCC1C(=O)N(C[C@H]2CC[C@@H](CC2)OCC)CCC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C InChI=1S/C35H57N5O3/c1-6-8-9-30-32(41)39(24-28-10-12-29(13-11-28)43-7-2)21-16-35(30)17-22-40(23-18-35)34(5)14-19-38(20-15-34)33(42)31-26(3)36-25-37-27(31)4/h25,28-30H,6-24H2,1-5H3/t28-,29-,30? QOJYCEFGDGHBCC-PXGVVOSNSA-N 50254750 1-butyl-9-(1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl)-3-(((1r,4r)-4-ethoxycyclohexyl)methyl)-3,9-diazaspiro[5.5]undecan-2-one::CHEMBL449621 C-X-C chemokine receptor type 4 >50000 ChEMBL 10.1016/j.bmcl.2008.10.115 10.7270/Q2FQ9WGB 19014885 Yang, H; Lin, XF; Padilla, F; Gabriel, SD; Heilek, G; Ji, C; Sankuratri, S; deRosier, A; Berry, P; Rotstein, DM Roche Palo Alto LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254750 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254750&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 25230828 104106913 CHEMBL449621 ZINC42834646 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50442814 NC(N)=NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC1=O)c1ccc2ccccc2c1 InChI=1S/C35H45N11O6/c36-34(37)40-15-3-7-25-30(49)44-26(8-4-16-41-35(38)39)31(50)46-29(23-12-11-21-5-1-2-6-22(21)18-23)33(52)42-19-28(48)43-27(32(51)45-25)17-20-9-13-24(47)14-10-20/h1-2,5-6,9-14,18,25-27,29,47H,3-4,7-8,15-17,19H2,(H,42,52)(H,43,48)(H,44,49)(H,45,51)(H,46,50)(H4,36,37,40)(H4,38,39,41)/t25-,26-,27+,29-/m0/s1 UKSPHWPTEMVUBL-RZLMRTLUSA-N 50246955 CHEMBL506505::N-{3-[(2S,5S,8S,14R)-5-(3-Guanidino-propyl)-14-(4-hydroxy-benzyl)-8-naphthalen-2-yl-3,6,9,12,15-pentaoxo-1,4,7,10,13pentaaza-cyclopentadec-2-yl]-propyl}-guanidine C-X-C chemokine receptor type 4 109 ChEMBL 10.1021/jm801065q 10.7270/Q2JD4WNH 19053768 Thoma, G; Streiff, MB; Kovarik, J; Glickman, F; Wagner, T; Beerli, C; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50246955 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50246955&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 44563599 104102161 CHEMBL506505 ZINC49898762 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50442815 C(N1CCCNCCNCCCNCC1)c1ccc(CN2CCCNCCNCCCNCC2)cc1 InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2 YIQPUIGJQJDJOS-UHFFFAOYSA-N 50035696 1,1''-{1,4-phenylenebis(methylene)}-bis{1,4,8,11-tetraaza-cyclotetradecane}::1,4,8,11-tetraazacyclotetradecanyl[4-(1,4,8,11-tetraazacyclotetradecanylmethyl)phenyl]methane::1,4,8,11-tetraazacyclotetradecanyl[4-(1,4,8,11-tetraazacyclotetradecanylmethyl)phenyl]methane(8HBr.2H2O)::1,4-bis((1,4,8,11-tetraazacyclotetradecan-1-yl)methyl)benzene::11''-xylyl bis-1,4,8,11-tetraazacyclotetradecane::11-{4-[4,8, 11-1,4,8,11tetraaza-cyclotetradec-1-ylmethyl]-benzyl}-1,4,8,11tetraaza-cyclotetradecane-1,4,8-tricarboxylic acid tri-tert-butyl ester::AMD-3100::CHEMBL18442::CHEMBL2311089::PLERIXAFOR::PLERIXAFOR OCTAHYDROCHLORIDE::US9205085, MSX-162 C-X-C chemokine receptor type 4 245 ChEMBL 10.1021/jm801065q 10.7270/Q2JD4WNH 19053768 Thoma, G; Streiff, MB; Kovarik, J; Glickman, F; Wagner, T; Beerli, C; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50035696 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50035696&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 65015 103943663 CHEMBL2311089CHEMBL18442 DB06809 844 ZINC22443609 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50442816 C(S\C(NC1CCCCC1)=N/C1CCCCC1)C1=CSC2=NCCN12 InChI=1S/C19H30N4S2/c1-3-7-15(8-4-1)21-18(22-16-9-5-2-6-10-16)24-13-17-14-25-19-20-11-12-23(17)19/h14-16H,1-13H2,(H,21,22) ZEZPDHKACVMMCD-UHFFFAOYSA-N 50246956 1,3-dicyclohexyl-2-((5,6-dihydroimidazo[2,1-b]thiazol-3-yl)methyl)isothiourea::CHEMBL452864 C-X-C chemokine receptor type 4 48 ChEMBL 10.1021/jm801065q 10.7270/Q2JD4WNH 19053768 Thoma, G; Streiff, MB; Kovarik, J; Glickman, F; Wagner, T; Beerli, C; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50246956 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50246956&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 11176403 104102162 CHEMBL452864 2900 ZINC53282789 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50442818 C(S\C(NC1CCCCC1)=N/C1CCCCC1)C1=CSC2=NCCN12 InChI=1S/C19H30N4S2/c1-3-7-15(8-4-1)21-18(22-16-9-5-2-6-10-16)24-13-17-14-25-19-20-11-12-23(17)19/h14-16H,1-13H2,(H,21,22) ZEZPDHKACVMMCD-UHFFFAOYSA-N 50246956 1,3-dicyclohexyl-2-((5,6-dihydroimidazo[2,1-b]thiazol-3-yl)methyl)isothiourea::CHEMBL452864 C-X-C chemokine receptor type 4 11 ChEMBL 10.1021/jm801065q 10.7270/Q2JD4WNH 19053768 Thoma, G; Streiff, MB; Kovarik, J; Glickman, F; Wagner, T; Beerli, C; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50246956 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50246956&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 11176403 104102162 CHEMBL452864 2900 ZINC53282789 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50442819 C(S\C(NC1CCCCC1)=N/C1CCCCC1)C1=CSC2=NCCN12 InChI=1S/C19H30N4S2/c1-3-7-15(8-4-1)21-18(22-16-9-5-2-6-10-16)24-13-17-14-25-19-20-11-12-23(17)19/h14-16H,1-13H2,(H,21,22) ZEZPDHKACVMMCD-UHFFFAOYSA-N 50246956 1,3-dicyclohexyl-2-((5,6-dihydroimidazo[2,1-b]thiazol-3-yl)methyl)isothiourea::CHEMBL452864 C-X-C chemokine receptor type 4 58 ChEMBL 10.1021/jm801065q 10.7270/Q2JD4WNH 19053768 Thoma, G; Streiff, MB; Kovarik, J; Glickman, F; Wagner, T; Beerli, C; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50246956 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50246956&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 11176403 104102162 CHEMBL452864 2900 ZINC53282789 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50442829 CN(C1CCCCC1)C(\SCC1=CSC2=NCCN12)=N\C1CCCCC1 InChI=1S/C20H32N4S2/c1-23(17-10-6-3-7-11-17)20(22-16-8-4-2-5-9-16)26-15-18-14-25-19-21-12-13-24(18)19/h14,16-17H,2-13,15H2,1H3/b22-20- RMSFDJUPSGYWBD-XDOYNYLZSA-N 50246957 1,3-dicyclohexyl-2-((5,6-dihydroimidazo[2,1-b]thiazol-3-yl)methyl)-1-methylisothiourea::CHEMBL452868 C-X-C chemokine receptor type 4 3575 ChEMBL 10.1021/jm801065q 10.7270/Q2JD4WNH 19053768 Thoma, G; Streiff, MB; Kovarik, J; Glickman, F; Wagner, T; Beerli, C; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50246957 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50246957&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 25181075 104102163 CHEMBL452868 ZINC53282811 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50442830 CN(C1CCCCC1)C(\SCC1=CSC2=NCCN12)=N\C1CCCCC1 InChI=1S/C20H32N4S2/c1-23(17-10-6-3-7-11-17)20(22-16-8-4-2-5-9-16)26-15-18-14-25-19-21-12-13-24(18)19/h14,16-17H,2-13,15H2,1H3/b22-20- RMSFDJUPSGYWBD-XDOYNYLZSA-N 50246957 1,3-dicyclohexyl-2-((5,6-dihydroimidazo[2,1-b]thiazol-3-yl)methyl)-1-methylisothiourea::CHEMBL452868 C-X-C chemokine receptor type 4 931 ChEMBL 10.1021/jm801065q 10.7270/Q2JD4WNH 19053768 Thoma, G; Streiff, MB; Kovarik, J; Glickman, F; Wagner, T; Beerli, C; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50246957 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50246957&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 25181075 104102163 CHEMBL452868 ZINC53282811 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50442831 C(S\C(NC1CCCC1)=N/C1CCCC1)C1=CSC2=NCCN12 InChI=1S/C17H26N4S2/c1-2-6-13(5-1)19-16(20-14-7-3-4-8-14)22-11-15-12-23-17-18-9-10-21(15)17/h12-14H,1-11H2,(H,19,20) MVAYOLUSHUJRDR-UHFFFAOYSA-N 50247013 1,3-dicyclopentyl-2-((5,6-dihydroimidazo[2,1-b]thiazol-3-yl)methyl)isothiourea::CHEMBL454689 C-X-C chemokine receptor type 4 3835 ChEMBL 10.1021/jm801065q 10.7270/Q2JD4WNH 19053768 Thoma, G; Streiff, MB; Kovarik, J; Glickman, F; Wagner, T; Beerli, C; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50247013 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50247013&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 25178134 104102200 CHEMBL454689 ZINC53276045 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50442832 C(S\C(NC1CCCC1)=N/C1CCCC1)C1=CSC2=NCCN12 InChI=1S/C17H26N4S2/c1-2-6-13(5-1)19-16(20-14-7-3-4-8-14)22-11-15-12-23-17-18-9-10-21(15)17/h12-14H,1-11H2,(H,19,20) MVAYOLUSHUJRDR-UHFFFAOYSA-N 50247013 1,3-dicyclopentyl-2-((5,6-dihydroimidazo[2,1-b]thiazol-3-yl)methyl)isothiourea::CHEMBL454689 C-X-C chemokine receptor type 4 493 ChEMBL 10.1021/jm801065q 10.7270/Q2JD4WNH 19053768 Thoma, G; Streiff, MB; Kovarik, J; Glickman, F; Wagner, T; Beerli, C; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50247013 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50247013&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 25178134 104102200 CHEMBL454689 ZINC53276045 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50442833 CC(C)N\C(SCC1=CSC2=NCCN12)=N\C(C)C InChI=1S/C13H22N4S2/c1-9(2)15-12(16-10(3)4)18-7-11-8-19-13-14-5-6-17(11)13/h8-10H,5-7H2,1-4H3,(H,15,16) ZHKQNUINSKINOU-UHFFFAOYSA-N 50247014 2-(5,6-Dihydro-imidazo[2,1-b]thiazol-3-ylmethyl)-1,3-diisopropyl-isothiourea::CHEMBL455708 C-X-C chemokine receptor type 4 >10000 ChEMBL 10.1021/jm801065q 10.7270/Q2JD4WNH 19053768 Thoma, G; Streiff, MB; Kovarik, J; Glickman, F; Wagner, T; Beerli, C; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50247014 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50247014&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 25178561 104102201 CHEMBL455708 ZINC53275896 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50442834 C(S\C(NC1CCCCCC1)=N/C1CCCCCC1)C1=CSC2=NCCN12 InChI=1S/C21H34N4S2/c1-2-6-10-17(9-5-1)23-20(24-18-11-7-3-4-8-12-18)26-15-19-16-27-21-22-13-14-25(19)21/h16-18H,1-15H2,(H,23,24) JCVDTZFSFHPHAJ-UHFFFAOYSA-N 50247015 1,3-dicycloheptyl-2-((5,6-dihydroimidazo[2,1-b]thiazol-3-yl)methyl)isothiourea::CHEMBL508054 C-X-C chemokine receptor type 4 25 ChEMBL 10.1021/jm801065q 10.7270/Q2JD4WNH 19053768 Thoma, G; Streiff, MB; Kovarik, J; Glickman, F; Wagner, T; Beerli, C; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50247015 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50247015&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 25178136 104102202 CHEMBL508054 ZINC53186828 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50442835 C(S\C(NC1CCCCCC1)=N/C1CCCCCC1)C1=CSC2=NCCN12 InChI=1S/C21H34N4S2/c1-2-6-10-17(9-5-1)23-20(24-18-11-7-3-4-8-12-18)26-15-19-16-27-21-22-13-14-25(19)21/h16-18H,1-15H2,(H,23,24) JCVDTZFSFHPHAJ-UHFFFAOYSA-N 50247015 1,3-dicycloheptyl-2-((5,6-dihydroimidazo[2,1-b]thiazol-3-yl)methyl)isothiourea::CHEMBL508054 C-X-C chemokine receptor type 4 3.1 ChEMBL 10.1021/jm801065q 10.7270/Q2JD4WNH 19053768 Thoma, G; Streiff, MB; Kovarik, J; Glickman, F; Wagner, T; Beerli, C; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50247015 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50247015&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 25178136 104102202 CHEMBL508054 ZINC53186828 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50442836 C(S\C(NC1CCCCCCC1)=N/C1CCCCCCC1)C1=CSC2=NCCN12 InChI=1S/C23H38N4S2/c1-3-7-11-19(12-8-4-1)25-22(26-20-13-9-5-2-6-10-14-20)28-17-21-18-29-23-24-15-16-27(21)23/h18-20H,1-17H2,(H,25,26) XPJOLOSQHLCVQV-UHFFFAOYSA-N 50247016 1,3-dicyclooctyl-2-((5,6-dihydroimidazo[2,1-b]thiazol-3-yl)methyl)isothiourea::CHEMBL454896 C-X-C chemokine receptor type 4 27 ChEMBL 10.1021/jm801065q 10.7270/Q2JD4WNH 19053768 Thoma, G; Streiff, MB; Kovarik, J; Glickman, F; Wagner, T; Beerli, C; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50247016 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50247016&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 25178563 104102203 CHEMBL454896 ZINC53276042 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50442837 C(S\C(NC1CCCCCCC1)=N/C1CCCCCCC1)C1=CSC2=NCCN12 InChI=1S/C23H38N4S2/c1-3-7-11-19(12-8-4-1)25-22(26-20-13-9-5-2-6-10-14-20)28-17-21-18-29-23-24-15-16-27(21)23/h18-20H,1-17H2,(H,25,26) XPJOLOSQHLCVQV-UHFFFAOYSA-N 50247016 1,3-dicyclooctyl-2-((5,6-dihydroimidazo[2,1-b]thiazol-3-yl)methyl)isothiourea::CHEMBL454896 C-X-C chemokine receptor type 4 5.3 ChEMBL 10.1021/jm801065q 10.7270/Q2JD4WNH 19053768 Thoma, G; Streiff, MB; Kovarik, J; Glickman, F; Wagner, T; Beerli, C; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50247016 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50247016&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 25178563 104102203 CHEMBL454896 ZINC53276042 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50442838 C(SC(NC1CCCCCC1)=NC1CCCCC1)C1=CSC2=NCCN12 InChI=1S/C20H32N4S2/c1-2-5-9-16(8-4-1)22-19(23-17-10-6-3-7-11-17)25-14-18-15-26-20-21-12-13-24(18)20/h15-17H,1-14H2,(H,22,23) VJAJZCNSLLUQCP-UHFFFAOYSA-N 50247017 1-cycloheptyl-3-cyclohexyl-2-((5,6-dihydroimidazo[2,1-b]thiazol-3-yl)methyl)isothiourea::CHEMBL541728 C-X-C chemokine receptor type 4 28 ChEMBL 10.1021/jm801065q 10.7270/Q2JD4WNH 19053768 Thoma, G; Streiff, MB; Kovarik, J; Glickman, F; Wagner, T; Beerli, C; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50247017 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50247017&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 25178138 104102204 CHEMBL541728 ZINC53023013 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50442839 C(SC(NC1CCCCCC1)=NC1CCCCC1)C1=CSC2=NCCN12 InChI=1S/C20H32N4S2/c1-2-5-9-16(8-4-1)22-19(23-17-10-6-3-7-11-17)25-14-18-15-26-20-21-12-13-24(18)20/h15-17H,1-14H2,(H,22,23) VJAJZCNSLLUQCP-UHFFFAOYSA-N 50247017 1-cycloheptyl-3-cyclohexyl-2-((5,6-dihydroimidazo[2,1-b]thiazol-3-yl)methyl)isothiourea::CHEMBL541728 C-X-C chemokine receptor type 4 6.6 ChEMBL 10.1021/jm801065q 10.7270/Q2JD4WNH 19053768 Thoma, G; Streiff, MB; Kovarik, J; Glickman, F; Wagner, T; Beerli, C; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50247017 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50247017&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 25178138 104102204 CHEMBL541728 ZINC53023013 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50442840 C(SC(NC1CCCCCCC1)=NC1CCCCC1)C1=CSC2=NCCN12 InChI=1S/C21H34N4S2/c1-2-5-9-17(10-6-3-1)23-20(24-18-11-7-4-8-12-18)26-15-19-16-27-21-22-13-14-25(19)21/h16-18H,1-15H2,(H,23,24) PIGQJSYRAJVXAR-UHFFFAOYSA-N 50247056 1-cyclohexyl-3-cyclooctyl-2-((5,6-dihydroimidazo[2,1-b]thiazol-3-yl)methyl)isothiourea::CHEMBL460298 C-X-C chemokine receptor type 4 28 ChEMBL 10.1021/jm801065q 10.7270/Q2JD4WNH 19053768 Thoma, G; Streiff, MB; Kovarik, J; Glickman, F; Wagner, T; Beerli, C; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50247056 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50247056&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 25178565 104102229 CHEMBL460298 ZINC53276056 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50442841 C(SC(NC1CCCCCCC1)=NC1CCCCC1)C1=CSC2=NCCN12 InChI=1S/C21H34N4S2/c1-2-5-9-17(10-6-3-1)23-20(24-18-11-7-4-8-12-18)26-15-19-16-27-21-22-13-14-25(19)21/h16-18H,1-15H2,(H,23,24) PIGQJSYRAJVXAR-UHFFFAOYSA-N 50247056 1-cyclohexyl-3-cyclooctyl-2-((5,6-dihydroimidazo[2,1-b]thiazol-3-yl)methyl)isothiourea::CHEMBL460298 C-X-C chemokine receptor type 4 8 ChEMBL 10.1021/jm801065q 10.7270/Q2JD4WNH 19053768 Thoma, G; Streiff, MB; Kovarik, J; Glickman, F; Wagner, T; Beerli, C; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50247056 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50247056&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 25178565 104102229 CHEMBL460298 ZINC53276056 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50442842 C(SC(NC1CCCC1)=NC1CCCCC1)C1=CSC2=NCCN12 InChI=1S/C18H28N4S2/c1-2-6-14(7-3-1)20-17(21-15-8-4-5-9-15)23-12-16-13-24-18-19-10-11-22(16)18/h13-15H,1-12H2,(H,20,21) OGXGHWFUPAEKDX-UHFFFAOYSA-N 50247057 1-cyclohexyl-3-cyclopentyl-2-((5,6-dihydroimidazo[2,1-b]thiazol-3-yl)methyl)isothiourea::CHEMBL460299 C-X-C chemokine receptor type 4 372 ChEMBL 10.1021/jm801065q 10.7270/Q2JD4WNH 19053768 Thoma, G; Streiff, MB; Kovarik, J; Glickman, F; Wagner, T; Beerli, C; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50247057 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50247057&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 25178140 104102230 CHEMBL460299 ZINC53276057 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50442843 C(SC(NC1CCCC1)=NC1CCCCC1)C1=CSC2=NCCN12 InChI=1S/C18H28N4S2/c1-2-6-14(7-3-1)20-17(21-15-8-4-5-9-15)23-12-16-13-24-18-19-10-11-22(16)18/h13-15H,1-12H2,(H,20,21) OGXGHWFUPAEKDX-UHFFFAOYSA-N 50247057 1-cyclohexyl-3-cyclopentyl-2-((5,6-dihydroimidazo[2,1-b]thiazol-3-yl)methyl)isothiourea::CHEMBL460299 C-X-C chemokine receptor type 4 173 ChEMBL 10.1021/jm801065q 10.7270/Q2JD4WNH 19053768 Thoma, G; Streiff, MB; Kovarik, J; Glickman, F; Wagner, T; Beerli, C; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50247057 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50247057&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 25178140 104102230 CHEMBL460299 ZINC53276057 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50442844 CCCCCCNC(SCC1=CSC2=NCCN12)=NC1CCCCC1 InChI=1S/C19H32N4S2/c1-2-3-4-8-11-20-18(22-16-9-6-5-7-10-16)24-14-17-15-25-19-21-12-13-23(17)19/h15-16H,2-14H2,1H3,(H,20,22) WCAVHXBYHAXEAP-UHFFFAOYSA-N 50247058 1-cyclohexyl-2-((5,6-dihydroimidazo[2,1-b]thiazol-3-yl)methyl)-3-hexylisothiourea::CHEMBL461358 C-X-C chemokine receptor type 4 855 ChEMBL 10.1021/jm801065q 10.7270/Q2JD4WNH 19053768 Thoma, G; Streiff, MB; Kovarik, J; Glickman, F; Wagner, T; Beerli, C; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50247058 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50247058&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 25178567 104102231 CHEMBL461358 ZINC53277616 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50442845 CCCCCCNC(SCC1=CSC2=NCCN12)=NC1CCCCC1 InChI=1S/C19H32N4S2/c1-2-3-4-8-11-20-18(22-16-9-6-5-7-10-16)24-14-17-15-25-19-21-12-13-23(17)19/h15-16H,2-14H2,1H3,(H,20,22) WCAVHXBYHAXEAP-UHFFFAOYSA-N 50247058 1-cyclohexyl-2-((5,6-dihydroimidazo[2,1-b]thiazol-3-yl)methyl)-3-hexylisothiourea::CHEMBL461358 C-X-C chemokine receptor type 4 75 ChEMBL 10.1021/jm801065q 10.7270/Q2JD4WNH 19053768 Thoma, G; Streiff, MB; Kovarik, J; Glickman, F; Wagner, T; Beerli, C; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50247058 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50247058&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 25178567 104102231 CHEMBL461358 ZINC53277616 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50442846 C(SC(NC12CC3CC(CC(C3)C1)C2)=NC1CCCCC1)C1=CSC2=NCCN12 InChI=1S/C23H34N4S2/c1-2-4-19(5-3-1)25-21(28-14-20-15-29-22-24-6-7-27(20)22)26-23-11-16-8-17(12-23)10-18(9-16)13-23/h15-19H,1-14H2,(H,25,26) SUMQRSOWPMBGQJ-UHFFFAOYSA-N 50247059 1-Adamantan-1-yl-3-cyclohexyl-2-(5,6-dihydro-imidazo[2,1-b]thiazol-3-ylmethyl)-isothiourea::CHEMBL518041 C-X-C chemokine receptor type 4 1873 ChEMBL 10.1021/jm801065q 10.7270/Q2JD4WNH 19053768 Thoma, G; Streiff, MB; Kovarik, J; Glickman, F; Wagner, T; Beerli, C; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50247059 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50247059&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 25178142 104102232 CHEMBL518041 ZINC53194129 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50442847 C(SC(NC12CC3CC(CC(C3)C1)C2)=NC1CCCCC1)C1=CSC2=NCCN12 InChI=1S/C23H34N4S2/c1-2-4-19(5-3-1)25-21(28-14-20-15-29-22-24-6-7-27(20)22)26-23-11-16-8-17(12-23)10-18(9-16)13-23/h15-19H,1-14H2,(H,25,26) SUMQRSOWPMBGQJ-UHFFFAOYSA-N 50247059 1-Adamantan-1-yl-3-cyclohexyl-2-(5,6-dihydro-imidazo[2,1-b]thiazol-3-ylmethyl)-isothiourea::CHEMBL518041 C-X-C chemokine receptor type 4 304 ChEMBL 10.1021/jm801065q 10.7270/Q2JD4WNH 19053768 Thoma, G; Streiff, MB; Kovarik, J; Glickman, F; Wagner, T; Beerli, C; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50247059 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50247059&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 25178142 104102232 CHEMBL518041 ZINC53194129 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50442848 C(SC(NC1C2CC3CC(C2)CC1C3)=NC1CCCCC1)C1=CSC2=NCCN12 InChI=1S/C23H34N4S2/c1-2-4-19(5-3-1)25-22(28-13-20-14-29-23-24-6-7-27(20)23)26-21-17-9-15-8-16(11-17)12-18(21)10-15/h14-19,21H,1-13H2,(H,25,26) FLOCMOFUMUFEEN-UHFFFAOYSA-N 50247060 1-Adamantan-2-yl-3-cyclohexyl-2-(5,6-dihydro-imidazo[2,1-b]thiazol-3-ylmethyl)-isothiourea::CHEMBL461359 C-X-C chemokine receptor type 4 81 ChEMBL 10.1021/jm801065q 10.7270/Q2JD4WNH 19053768 Thoma, G; Streiff, MB; Kovarik, J; Glickman, F; Wagner, T; Beerli, C; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50247060 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50247060&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 25178144 104102233 CHEMBL461359 ZINC53277621 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50442849 C(SC(NC1C2CC3CC(C2)CC1C3)=NC1CCCCC1)C1=CSC2=NCCN12 InChI=1S/C23H34N4S2/c1-2-4-19(5-3-1)25-22(28-13-20-14-29-23-24-6-7-27(20)23)26-21-17-9-15-8-16(11-17)12-18(21)10-15/h14-19,21H,1-13H2,(H,25,26) FLOCMOFUMUFEEN-UHFFFAOYSA-N 50247060 1-Adamantan-2-yl-3-cyclohexyl-2-(5,6-dihydro-imidazo[2,1-b]thiazol-3-ylmethyl)-isothiourea::CHEMBL461359 C-X-C chemokine receptor type 4 13 ChEMBL 10.1021/jm801065q 10.7270/Q2JD4WNH 19053768 Thoma, G; Streiff, MB; Kovarik, J; Glickman, F; Wagner, T; Beerli, C; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50247060 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50247060&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 25178144 104102233 CHEMBL461359 ZINC53277621 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50442850 CC(C)(C)C1CCC(CC1)NC(SCC1=CSC2=NCCN12)=NC1CCCCC1 InChI=1S/C23H38N4S2/c1-23(2,3)17-9-11-19(12-10-17)26-21(25-18-7-5-4-6-8-18)28-15-20-16-29-22-24-13-14-27(20)22/h16-19H,4-15H2,1-3H3,(H,25,26) ARVJDGCNDRWPJH-UHFFFAOYSA-N 50247095 1-(4-tert-butylcyclohexyl)-3-cyclohexyl-2-((5,6-dihydroimidazo[2,1-b]thiazol-3-yl)methyl)isothiourea::CHEMBL462588 C-X-C chemokine receptor type 4 437 ChEMBL 10.1021/jm801065q 10.7270/Q2JD4WNH 19053768 Thoma, G; Streiff, MB; Kovarik, J; Glickman, F; Wagner, T; Beerli, C; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50247095 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50247095&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 25178569 104102260 CHEMBL462588 ZINC53277606 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50442859 CC1(C)CN2C(CS\C(NC3CCCCC3)=N/C3CCCCC3)=CSC2=N1 InChI=1S/C21H34N4S2/c1-21(2)15-25-18(14-27-20(25)24-21)13-26-19(22-16-9-5-3-6-10-16)23-17-11-7-4-8-12-17/h14,16-17H,3-13,15H2,1-2H3,(H,22,23) OOSUDWRRWZVFEB-UHFFFAOYSA-N 50247128 (6,6-dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)methyl N,N'-dicyclohexylimidothiocarbamate::1,3-dicyclohexyl-2-((6,6-dimethyl-5,6-dihydroimidazo[2,1-b]thiazol-3-yl)methyl)isothiourea::CHEMBL460491 C-X-C chemokine receptor type 4 8 ChEMBL 10.1021/jm801065q 10.7270/Q2JD4WNH 19053768 Thoma, G; Streiff, MB; Kovarik, J; Glickman, F; Wagner, T; Beerli, C; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50247128 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50247128&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search ITD 3OE6,3OE9,3OE8,3ODU 25147749 104102288 CHEMBL460491 2899 ZINC96319476 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50442861 CC1(C)CN2C(CS\C(NC3CCCCC3)=N/C3CCCCC3)=CSC2=N1 InChI=1S/C21H34N4S2/c1-21(2)15-25-18(14-27-20(25)24-21)13-26-19(22-16-9-5-3-6-10-16)23-17-11-7-4-8-12-17/h14,16-17H,3-13,15H2,1-2H3,(H,22,23) OOSUDWRRWZVFEB-UHFFFAOYSA-N 50247128 (6,6-dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)methyl N,N'-dicyclohexylimidothiocarbamate::1,3-dicyclohexyl-2-((6,6-dimethyl-5,6-dihydroimidazo[2,1-b]thiazol-3-yl)methyl)isothiourea::CHEMBL460491 C-X-C chemokine receptor type 4 1.1 ChEMBL 10.1021/jm801065q 10.7270/Q2JD4WNH 19053768 Thoma, G; Streiff, MB; Kovarik, J; Glickman, F; Wagner, T; Beerli, C; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50247128 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50247128&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search ITD 3OE6,3OE9,3OE8,3ODU 25147749 104102288 CHEMBL460491 2899 ZINC96319476 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50442862 CC(C)(C)C1CCC(CC1)NC(SCC1=CSC2=NCCN12)=NC1CCCCC1 InChI=1S/C23H38N4S2/c1-23(2,3)17-9-11-19(12-10-17)26-21(25-18-7-5-4-6-8-18)28-15-20-16-29-22-24-13-14-27(20)22/h16-19H,4-15H2,1-3H3,(H,25,26) ARVJDGCNDRWPJH-UHFFFAOYSA-N 50247095 1-(4-tert-butylcyclohexyl)-3-cyclohexyl-2-((5,6-dihydroimidazo[2,1-b]thiazol-3-yl)methyl)isothiourea::CHEMBL462588 C-X-C chemokine receptor type 4 1533 ChEMBL 10.1021/jm801065q 10.7270/Q2JD4WNH 19053768 Thoma, G; Streiff, MB; Kovarik, J; Glickman, F; Wagner, T; Beerli, C; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50247095 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50247095&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 25178569 104102260 CHEMBL462588 ZINC53277606 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50442863 C(SC(Nc1ccccc1)=NC1CCCCC1)C1=CSC2=NCCN12 InChI=1S/C19H24N4S2/c1-3-7-15(8-4-1)21-18(22-16-9-5-2-6-10-16)24-13-17-14-25-19-20-11-12-23(17)19/h1,3-4,7-8,14,16H,2,5-6,9-13H2,(H,21,22) PGFFWCPMVXCSCM-UHFFFAOYSA-N 50247096 1-cyclohexyl-2-((5,6-dihydroimidazo[2,1-b]thiazol-3-yl)methyl)-3-phenylisothiourea::CHEMBL460482 C-X-C chemokine receptor type 4 >10000 ChEMBL 10.1021/jm801065q 10.7270/Q2JD4WNH 19053768 Thoma, G; Streiff, MB; Kovarik, J; Glickman, F; Wagner, T; Beerli, C; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50247096 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50247096&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 25178347 104102261 CHEMBL460482 ZINC53276050 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50442864 C(SC(Nc1ccccc1)=NC1CCCCC1)C1=CSC2=NCCN12 InChI=1S/C19H24N4S2/c1-3-7-15(8-4-1)21-18(22-16-9-5-2-6-10-16)24-13-17-14-25-19-20-11-12-23(17)19/h1,3-4,7-8,14,16H,2,5-6,9-13H2,(H,21,22) PGFFWCPMVXCSCM-UHFFFAOYSA-N 50247096 1-cyclohexyl-2-((5,6-dihydroimidazo[2,1-b]thiazol-3-yl)methyl)-3-phenylisothiourea::CHEMBL460482 C-X-C chemokine receptor type 4 5275 ChEMBL 10.1021/jm801065q 10.7270/Q2JD4WNH 19053768 Thoma, G; Streiff, MB; Kovarik, J; Glickman, F; Wagner, T; Beerli, C; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50247096 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50247096&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 25178347 104102261 CHEMBL460482 ZINC53276050 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50442865 C(SC(NCc1ccccc1)=NC1CCCCC1)C1CSC2=NCCN12 InChI=1S/C20H28N4S2/c1-3-7-16(8-4-1)13-22-19(23-17-9-5-2-6-10-17)25-14-18-15-26-20-21-11-12-24(18)20/h1,3-4,7-8,17-18H,2,5-6,9-15H2,(H,22,23) CPWWACHCEOQBSF-UHFFFAOYSA-N 50247097 1-benzyl-3-cyclohexyl-2-((2,3,5,6-tetrahydroimidazo[2,1-b]thiazol-3-yl)methyl)isothiourea::CHEMBL516480 C-X-C chemokine receptor type 4 10000 ChEMBL 10.1021/jm801065q 10.7270/Q2JD4WNH 19053768 Thoma, G; Streiff, MB; Kovarik, J; Glickman, F; Wagner, T; Beerli, C; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50247097 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50247097&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 44563689 104102262 CHEMBL516480 ZINC40860941 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50442866 C(SC(NCc1ccccc1)=NC1CCCCC1)C1CSC2=NCCN12 InChI=1S/C20H28N4S2/c1-3-7-16(8-4-1)13-22-19(23-17-9-5-2-6-10-17)25-14-18-15-26-20-21-11-12-24(18)20/h1,3-4,7-8,17-18H,2,5-6,9-15H2,(H,22,23) CPWWACHCEOQBSF-UHFFFAOYSA-N 50247097 1-benzyl-3-cyclohexyl-2-((2,3,5,6-tetrahydroimidazo[2,1-b]thiazol-3-yl)methyl)isothiourea::CHEMBL516480 C-X-C chemokine receptor type 4 2220 ChEMBL 10.1021/jm801065q 10.7270/Q2JD4WNH 19053768 Thoma, G; Streiff, MB; Kovarik, J; Glickman, F; Wagner, T; Beerli, C; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50247097 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50247097&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 44563689 104102262 CHEMBL516480 ZINC40860941 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50442867 C(S\C(NC1CCCCC1)=N/C1CCCCC1)c1ccccc1 InChI=1S/C20H30N2S/c1-4-10-17(11-5-1)16-23-20(21-18-12-6-2-7-13-18)22-19-14-8-3-9-15-19/h1,4-5,10-11,18-19H,2-3,6-9,12-16H2,(H,21,22) AKWYUXGJLWSOTO-UHFFFAOYSA-N 50247098 2-Benzyl-1,3-dicyclohexyl-isothiourea::CHEMBL460483 C-X-C chemokine receptor type 4 >10000 ChEMBL 10.1021/jm801065q 10.7270/Q2JD4WNH 19053768 Thoma, G; Streiff, MB; Kovarik, J; Glickman, F; Wagner, T; Beerli, C; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50247098 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50247098&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 203317 104102263 CHEMBL460483 ZINC31555484 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50442868 C(S\C(NC1CCCCC1)=N/C1CCCCC1)c1ccccc1 InChI=1S/C20H30N2S/c1-4-10-17(11-5-1)16-23-20(21-18-12-6-2-7-13-18)22-19-14-8-3-9-15-19/h1,4-5,10-11,18-19H,2-3,6-9,12-16H2,(H,21,22) AKWYUXGJLWSOTO-UHFFFAOYSA-N 50247098 2-Benzyl-1,3-dicyclohexyl-isothiourea::CHEMBL460483 C-X-C chemokine receptor type 4 >10000 ChEMBL 10.1021/jm801065q 10.7270/Q2JD4WNH 19053768 Thoma, G; Streiff, MB; Kovarik, J; Glickman, F; Wagner, T; Beerli, C; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50247098 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50247098&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 203317 104102263 CHEMBL460483 ZINC31555484 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50442869 C\N=c1\scc(CS\C(NC2CCCCC2)=N/C2CCCCC2)n1C InChI=1S/C19H32N4S2/c1-20-19-23(2)17(14-25-19)13-24-18(21-15-9-5-3-6-10-15)22-16-11-7-4-8-12-16/h14-16H,3-13H2,1-2H3,(H,21,22)/b20-19+ KLLMZMYFAATCQU-FMQUCBEESA-N 50247099 1,3-dicyclohexyl-2-(((E)-3-methyl-2-(methylimino)-2,3-dihydrothiazol-4-yl)methyl)isothiourea::CHEMBL460484 C-X-C chemokine receptor type 4 >10000 ChEMBL 10.1021/jm801065q 10.7270/Q2JD4WNH 19053768 Thoma, G; Streiff, MB; Kovarik, J; Glickman, F; Wagner, T; Beerli, C; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50247099 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50247099&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 25178764 104102264 CHEMBL460484 ZINC40393575 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50442870 C\N=c1\scc(CS\C(NC2CCCCC2)=N/C2CCCCC2)n1C InChI=1S/C19H32N4S2/c1-20-19-23(2)17(14-25-19)13-24-18(21-15-9-5-3-6-10-15)22-16-11-7-4-8-12-16/h14-16H,3-13H2,1-2H3,(H,21,22)/b20-19+ KLLMZMYFAATCQU-FMQUCBEESA-N 50247099 1,3-dicyclohexyl-2-(((E)-3-methyl-2-(methylimino)-2,3-dihydrothiazol-4-yl)methyl)isothiourea::CHEMBL460484 C-X-C chemokine receptor type 4 9130 ChEMBL 10.1021/jm801065q 10.7270/Q2JD4WNH 19053768 Thoma, G; Streiff, MB; Kovarik, J; Glickman, F; Wagner, T; Beerli, C; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50247099 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50247099&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 25178764 104102264 CHEMBL460484 ZINC40393575 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50442871 C(S\C(NC1CCCCC1)=N/C1CCCCC1)c1csc2nc3ccccc3n12 InChI=1S/C23H30N4S2/c1-3-9-17(10-4-1)24-22(25-18-11-5-2-6-12-18)28-15-19-16-29-23-26-20-13-7-8-14-21(20)27(19)23/h7-8,13-14,16-18H,1-6,9-12,15H2,(H,24,25) DZBSPIWZRFQKFV-UHFFFAOYSA-N 50247126 2-Benzo[4,5]imidazo[2,1-b]thiazol-3-ylmethyl-1,3-dicyclohexyl-isothiourea::CHEMBL516989 C-X-C chemokine receptor type 4 >10000 ChEMBL 10.1021/jm801065q 10.7270/Q2JD4WNH 19053768 Thoma, G; Streiff, MB; Kovarik, J; Glickman, F; Wagner, T; Beerli, C; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50247126 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50247126&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 25178350 104102286 CHEMBL516989 ZINC40392126 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50442872 C(S\C(NC1CCCCC1)=N/C1CCCCC1)c1csc2nc3ccccc3n12 InChI=1S/C23H30N4S2/c1-3-9-17(10-4-1)24-22(25-18-11-5-2-6-12-18)28-15-19-16-29-23-26-20-13-7-8-14-21(20)27(19)23/h7-8,13-14,16-18H,1-6,9-12,15H2,(H,24,25) DZBSPIWZRFQKFV-UHFFFAOYSA-N 50247126 2-Benzo[4,5]imidazo[2,1-b]thiazol-3-ylmethyl-1,3-dicyclohexyl-isothiourea::CHEMBL516989 C-X-C chemokine receptor type 4 8120 ChEMBL 10.1021/jm801065q 10.7270/Q2JD4WNH 19053768 Thoma, G; Streiff, MB; Kovarik, J; Glickman, F; Wagner, T; Beerli, C; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50247126 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50247126&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 25178350 104102286 CHEMBL516989 ZINC40392126 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50442873 C(S\C(NC1CCCCC1)=N/C1CCCCC1)C1=CSC2=NCCCN12 InChI=1S/C20H32N4S2/c1-3-8-16(9-4-1)22-19(23-17-10-5-2-6-11-17)25-14-18-15-26-20-21-12-7-13-24(18)20/h15-17H,1-14H2,(H,22,23) UHRQNTXKNDYFNS-UHFFFAOYSA-N 50247127 1,3-dicyclohexyl-2-((6,7-dihydro-5H-thiazolo[3,2-a]pyrimidin-3-yl)methyl)isothiourea::CHEMBL516630 C-X-C chemokine receptor type 4 185 ChEMBL 10.1021/jm801065q 10.7270/Q2JD4WNH 19053768 Thoma, G; Streiff, MB; Kovarik, J; Glickman, F; Wagner, T; Beerli, C; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50247127 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50247127&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 25178766 104102287 CHEMBL516630 ZINC53194054 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50442874 C(S\C(NC1CCCCC1)=N/C1CCCCC1)C1=CSC2=NCCCN12 InChI=1S/C20H32N4S2/c1-3-8-16(9-4-1)22-19(23-17-10-5-2-6-11-17)25-14-18-15-26-20-21-12-7-13-24(18)20/h15-17H,1-14H2,(H,22,23) UHRQNTXKNDYFNS-UHFFFAOYSA-N 50247127 1,3-dicyclohexyl-2-((6,7-dihydro-5H-thiazolo[3,2-a]pyrimidin-3-yl)methyl)isothiourea::CHEMBL516630 C-X-C chemokine receptor type 4 57 ChEMBL 10.1021/jm801065q 10.7270/Q2JD4WNH 19053768 Thoma, G; Streiff, MB; Kovarik, J; Glickman, F; Wagner, T; Beerli, C; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50247127 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50247127&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 25178766 104102287 CHEMBL516630 ZINC53194054 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50442875 CC1(C)CN2C(CS\C(NC3CCCCCC3)=N/C3CCCCCC3)=CSC2=N1 InChI=1S/C23H38N4S2/c1-23(2)17-27-20(16-29-22(27)26-23)15-28-21(24-18-11-7-3-4-8-12-18)25-19-13-9-5-6-10-14-19/h16,18-19H,3-15,17H2,1-2H3,(H,24,25) DLOQISQLMPKGHJ-UHFFFAOYSA-N 50247129 1,3-dicycloheptyl-2-((6,6-dimethyl-5,6-dihydroimidazo[2,1-b]thiazol-3-yl)methyl)isothiourea::CHEMBL518501 C-X-C chemokine receptor type 4 8.8 ChEMBL 10.1021/jm801065q 10.7270/Q2JD4WNH 19053768 Thoma, G; Streiff, MB; Kovarik, J; Glickman, F; Wagner, T; Beerli, C; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50247129 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50247129&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 25178353 104102289 CHEMBL518501 ZINC53194063 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50442876 CC1(C)CN2C(CS\C(NC3CCCCCC3)=N/C3CCCCCC3)=CSC2=N1 InChI=1S/C23H38N4S2/c1-23(2)17-27-20(16-29-22(27)26-23)15-28-21(24-18-11-7-3-4-8-12-18)25-19-13-9-5-6-10-14-19/h16,18-19H,3-15,17H2,1-2H3,(H,24,25) DLOQISQLMPKGHJ-UHFFFAOYSA-N 50247129 1,3-dicycloheptyl-2-((6,6-dimethyl-5,6-dihydroimidazo[2,1-b]thiazol-3-yl)methyl)isothiourea::CHEMBL518501 C-X-C chemokine receptor type 4 2.1 ChEMBL 10.1021/jm801065q 10.7270/Q2JD4WNH 19053768 Thoma, G; Streiff, MB; Kovarik, J; Glickman, F; Wagner, T; Beerli, C; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50247129 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50247129&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 25178353 104102289 CHEMBL518501 ZINC53194063 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50449212 C(N1CCCNCCNCCCNCC1)c1ccc(CN2CCCNCCNCCCNCC2)cc1 InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2 YIQPUIGJQJDJOS-UHFFFAOYSA-N 50035696 1,1''-{1,4-phenylenebis(methylene)}-bis{1,4,8,11-tetraaza-cyclotetradecane}::1,4,8,11-tetraazacyclotetradecanyl[4-(1,4,8,11-tetraazacyclotetradecanylmethyl)phenyl]methane::1,4,8,11-tetraazacyclotetradecanyl[4-(1,4,8,11-tetraazacyclotetradecanylmethyl)phenyl]methane(8HBr.2H2O)::1,4-bis((1,4,8,11-tetraazacyclotetradecan-1-yl)methyl)benzene::11''-xylyl bis-1,4,8,11-tetraazacyclotetradecane::11-{4-[4,8, 11-1,4,8,11tetraaza-cyclotetradec-1-ylmethyl]-benzyl}-1,4,8,11tetraaza-cyclotetradecane-1,4,8-tricarboxylic acid tri-tert-butyl ester::AMD-3100::CHEMBL18442::CHEMBL2311089::PLERIXAFOR::PLERIXAFOR OCTAHYDROCHLORIDE::US9205085, MSX-162 C-X-C chemokine receptor type 4 27.4 ChEMBL 10.1016/j.bmc.2009.01.014 10.7270/Q2930T1T 19188071 Jacobson, O; Weiss, ID; Szajek, L; Farber, JM; Kiesewetter, DO National Institute of Biomedical Imaging and Bioengineering http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50035696 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50035696&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 65015 103943663 CHEMBL2311089CHEMBL18442 DB06809 844 ZINC22443609 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50449213 C(N1CCCNCCNCCCNCC1)c1ccc(CN2CCCNCCNCCCNCC2)cc1 InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2 YIQPUIGJQJDJOS-UHFFFAOYSA-N 50035696 1,1''-{1,4-phenylenebis(methylene)}-bis{1,4,8,11-tetraaza-cyclotetradecane}::1,4,8,11-tetraazacyclotetradecanyl[4-(1,4,8,11-tetraazacyclotetradecanylmethyl)phenyl]methane::1,4,8,11-tetraazacyclotetradecanyl[4-(1,4,8,11-tetraazacyclotetradecanylmethyl)phenyl]methane(8HBr.2H2O)::1,4-bis((1,4,8,11-tetraazacyclotetradecan-1-yl)methyl)benzene::11''-xylyl bis-1,4,8,11-tetraazacyclotetradecane::11-{4-[4,8, 11-1,4,8,11tetraaza-cyclotetradec-1-ylmethyl]-benzyl}-1,4,8,11tetraaza-cyclotetradecane-1,4,8-tricarboxylic acid tri-tert-butyl ester::AMD-3100::CHEMBL18442::CHEMBL2311089::PLERIXAFOR::PLERIXAFOR OCTAHYDROCHLORIDE::US9205085, MSX-162 C-X-C chemokine receptor type 4 15200 ChEMBL 10.1016/j.bmc.2009.01.014 10.7270/Q2930T1T 19188071 Jacobson, O; Weiss, ID; Szajek, L; Farber, JM; Kiesewetter, DO National Institute of Biomedical Imaging and Bioengineering http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50035696 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50035696&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 65015 103943663 CHEMBL2311089CHEMBL18442 DB06809 844 ZINC22443609 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50481521 C(CNCc1ccc(CNc2nc(NC3CCNCC3)c3ccccc3n2)cc1)CNC1CCCCC1 InChI=1S/C15H24N2O2/c1-10(18)14-7-4-8-17(14)15(19)13-9-11-5-2-3-6-12(11)16-13/h11-14,16H,2-9H2,1H3/t11-,12-,13-,14-/m0/s1 MAVMMPRQZXKLJX-XUXIUFHCSA-N 50155310 CHEMBL3779982 C-X-C chemokine receptor type 4 68 ChEMBL 10.1016/j.ejmech.2016.02.051 10.7270/Q2RR2140 26974376 Zhang, H; Kang, D; Huang, B; Liu, N; Zhao, F; Zhan, P; Liu, X Shandong University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50155310 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50155310&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 56955853 104042753 CHEMBL3779982 ZINC28384874 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50481522 Oc1cccc(CN(CCN2CCCCC2)CC2CCCN(C2)C2CCCC2)c1 InChI=1S/C20H25N3O2S/c21-17(13-7-2-1-3-8-13)20(25)23-12-6-10-15(23)18(24)19-22-14-9-4-5-11-16(14)26-19/h4-5,9,11,13,15,17H,1-3,6-8,10,12,21H2/t15-,17+/m0/s1 BOGRGBJASHXDLV-DOTOQJQBSA-N 50155311 CHEMBL3781301 C-X-C chemokine receptor type 4 1900 ChEMBL 10.1016/j.ejmech.2016.02.051 10.7270/Q2RR2140 26974376 Zhang, H; Kang, D; Huang, B; Liu, N; Zhao, F; Zhan, P; Liu, X Shandong University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50155311 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50155311&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 45182189 104042754 CHEMBL3781301 ZINC28372547 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50490641 Oc1cccc(CN(CCN2CCCCC2)CC2CCCN(C2)C2CCCC2)c1 InChI=1S/C20H25N3O2S/c21-17(13-7-2-1-3-8-13)20(25)23-12-6-10-15(23)18(24)19-22-14-9-4-5-11-16(14)26-19/h4-5,9,11,13,15,17H,1-3,6-8,10,12,21H2/t15-,17+/m0/s1 BOGRGBJASHXDLV-DOTOQJQBSA-N 50155311 CHEMBL3781301 C-X-C chemokine receptor type 4 92 ChEMBL 10.1021/acs.jmedchem.5b00497 10.7270/Q2JH3P3H 26509831 Zhan, P; Pannecouque, C; De Clercq, E; Liu, X Shandong University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50155311 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50155311&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 45182189 104042754 CHEMBL3781301 ZINC28372547 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50547862 CN(c1ccccc1N(C)S(=O)(=O)c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 InChI=1S/C22H24N2O4S2/c1-17-9-13-19(14-10-17)29(25,26)23(3)21-7-5-6-8-22(21)24(4)30(27,28)20-15-11-18(2)12-16-20/h5-16H,1-4H3 WOBGBOUAUABUFZ-UHFFFAOYSA-N 50305735 CHEMBL595990::N,N'-(1,2-phenylene)bis(N-methyl-1-phenylmethanesulfonamide) C-X-C chemokine receptor type 4 >60000 ChEMBL 10.1016/j.bmcl.2009.11.058 10.7270/Q2B8586C 20004096 Chen, JJ; Cole, DC; Ciszewski, G; Crouse, K; Ellingboe, JW; Nowak, P; Tawa, GJ; Berstein, G; Li, W Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50305735 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50305735&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 265219 104160096 CHEMBL595990 ZINC00636919 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50547863 Cc1ccc(cc1)S(=O)(=O)N(CC=C)c1ccccc1N(CC=C)S(=O)(=O)c1ccc(C)cc1 InChI=1S/C26H28N2O4S2/c1-5-19-27(33(29,30)23-15-11-21(3)12-16-23)25-9-7-8-10-26(25)28(20-6-2)34(31,32)24-17-13-22(4)14-18-24/h5-18H,1-2,19-20H2,3-4H3 WLHVFPKZYDQKGS-UHFFFAOYSA-N 50305737 CHEMBL604277::N,N'-(1,2-phenylene)bis(N-allyl-4-methylbenzenesulfonamide) C-X-C chemokine receptor type 4 >60000 ChEMBL 10.1016/j.bmcl.2009.11.058 10.7270/Q2B8586C 20004096 Chen, JJ; Cole, DC; Ciszewski, G; Crouse, K; Ellingboe, JW; Nowak, P; Tawa, GJ; Berstein, G; Li, W Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50305737 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50305737&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 3453336 104160098 CHEMBL604277 ZINC02573080 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50547864 CN(c1ccccc1C(=O)c1ccsc1)S(=O)(=O)c1ccc(C)cc1 InChI=1S/C19H17NO3S2/c1-14-7-9-16(10-8-14)25(22,23)20(2)18-6-4-3-5-17(18)19(21)15-11-12-24-13-15/h3-13H,1-2H3 UCDRKLUVICISKI-UHFFFAOYSA-N 50305731 CHEMBL604583::N,4-dimethyl-N-(2-(thiophene-3-carbonyl)phenyl)benzenesulfonamide C-X-C chemokine receptor type 4 >60000 ChEMBL 10.1016/j.bmcl.2009.11.058 10.7270/Q2B8586C 20004096 Chen, JJ; Cole, DC; Ciszewski, G; Crouse, K; Ellingboe, JW; Nowak, P; Tawa, GJ; Berstein, G; Li, W Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50305731 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50305731&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 46225413 104160092 CHEMBL604583 ZINC45389850 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50568289 CN(Cc1nc2ccccc2n1CCCN)C1CCCc2cccnc12 InChI=1S/C21H27N5/c1-25(19-11-4-7-16-8-5-13-23-21(16)19)15-20-24-17-9-2-3-10-18(17)26(20)14-6-12-22/h2-3,5,8-10,13,19H,4,6-7,11-12,14-15,22H2,1H3 UPBCAKKETXMWBJ-UHFFFAOYSA-N 50314756 CHEMBL577268::N-((1-(3-aminopropyl)-1H-benzo[d]imidazol-2-yl)methyl)-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine C-X-C chemokine receptor type 4 47 ChEMBL 10.1016/j.bmcl.2010.02.053 10.7270/Q2ZW1M20 20207537 Miller, JF; Turner, EM; Gudmundsson, KS; Jenkinson, S; Spaltenstein, A; Thomson, M; Wheelan, P GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50314756 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50314756&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 11638842 104149117 CHEMBL577268 ZINC35979387 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50568290 CN(Cc1nc2ccccc2n1C1CCN(C)CC1)C1CCCc2cccnc12 InChI=1S/C24H31N5/c1-27-15-12-19(13-16-27)29-21-10-4-3-9-20(21)26-23(29)17-28(2)22-11-5-7-18-8-6-14-25-24(18)22/h3-4,6,8-10,14,19,22H,5,7,11-13,15-17H2,1-2H3 FFROZRURSWKTSQ-UHFFFAOYSA-N 50314757 CHEMBL1091591::N-methyl-N-((1-(1-methylpiperidin-4-yl)-1H-benzo[d]imidazol-2-yl)methyl)-5,6,7,8-tetrahydroquinolin-8-amine C-X-C chemokine receptor type 4 76 ChEMBL 10.1016/j.bmcl.2010.02.053 10.7270/Q2ZW1M20 20207537 Miller, JF; Turner, EM; Gudmundsson, KS; Jenkinson, S; Spaltenstein, A; Thomson, M; Wheelan, P GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50314757 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50314757&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 11625279 104149118 CHEMBL1091591 ZINC35950935 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50568291 CC(C)N1CCC[C@H](Cn2c(CN(C)[C@H]3CCCc4cccnc34)nc3ccccc23)C1 InChI=1S/C27H37N5/c1-20(2)31-16-8-9-21(17-31)18-32-24-13-5-4-12-23(24)29-26(32)19-30(3)25-14-6-10-22-11-7-15-28-27(22)25/h4-5,7,11-13,15,20-21,25H,6,8-10,14,16-19H2,1-3H3/t21-,25-/m0/s1 QSKQVYGGIODIIN-OFVILXPXSA-N 50314758 (S)-N-((1-(((S)-1-isopropylpiperidin-3-yl)methyl)-1H-benzo[d]imidazol-2-yl)methyl)-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine::CHEMBL1092637 C-X-C chemokine receptor type 4 4.5 ChEMBL 10.1016/j.bmcl.2010.02.053 10.7270/Q2ZW1M20 20207537 Miller, JF; Turner, EM; Gudmundsson, KS; Jenkinson, S; Spaltenstein, A; Thomson, M; Wheelan, P GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50314758 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50314758&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 15959068 104149119 CHEMBL1092637 ZINC34821262 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50569797 NCCCCN(Cc1nc2ccccc2[nH]1)[C@@H]1CCCc2cccnc12 InChI=1S/C21H27N5/c22-12-3-4-14-26(15-20-24-17-9-1-2-10-18(17)25-20)19-11-5-7-16-8-6-13-23-21(16)19/h1-2,6,8-10,13,19H,3-5,7,11-12,14-15,22H2,(H,24,25)/t19-/m1/s1 WVLHHLRVNDMIAR-LJQANCHMSA-N 50315287 (R)-N1-((1H-benzo[d]imidazol-2-yl)methyl)-N1-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine::CHEMBL1093149 C-X-C chemokine receptor type 4 206 ChEMBL 10.1021/jm100073m 10.7270/Q2GQ6XW9 20297846 Skerlj, RT; Bridger, GJ; Kaller, A; McEachern, EJ; Crawford, JB; Zhou, Y; Atsma, B; Langille, J; Nan, S; Veale, D; Wilson, T; Harwig, C; Hatse, S; Princen, K; De Clercq, E; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315287 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315287&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 11233382 104149648 CHEMBL1093149 ZINC33359231 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50569798 NCc1ccc(CN(Cc2nc3ccccc3[nH]2)C2CCCc3cccnc23)cc1 InChI=1S/C25H27N5/c26-15-18-10-12-19(13-11-18)16-30(17-24-28-21-7-1-2-8-22(21)29-24)23-9-3-5-20-6-4-14-27-25(20)23/h1-2,4,6-8,10-14,23H,3,5,9,15-17,26H2,(H,28,29) WOHISNQXTSCFOC-UHFFFAOYSA-N 50315288 CHEMBL1092324::N-[(1H-Benzo[d]imidazol-2-yl)methyl]-N-(4-(aminomethyl)-benzyl)-5,6,7,8-tetrahydroquinolin-8-amine C-X-C chemokine receptor type 4 119 ChEMBL 10.1021/jm100073m 10.7270/Q2GQ6XW9 20297846 Skerlj, RT; Bridger, GJ; Kaller, A; McEachern, EJ; Crawford, JB; Zhou, Y; Atsma, B; Langille, J; Nan, S; Veale, D; Wilson, T; Harwig, C; Hatse, S; Princen, K; De Clercq, E; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315288 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315288&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 21985008 104149649 CHEMBL1092324 ZINC49073396 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50569799 NCc1cccc(CN(Cc2nc3ccccc3[nH]2)C2CCCc3cccnc23)c1 InChI=1S/C25H27N5/c26-15-18-6-3-7-19(14-18)16-30(17-24-28-21-10-1-2-11-22(21)29-24)23-12-4-8-20-9-5-13-27-25(20)23/h1-3,5-7,9-11,13-14,23H,4,8,12,15-17,26H2,(H,28,29) IQFJZKSDDHHGJU-UHFFFAOYSA-N 50315289 CHEMBL1088867::N-[(1H-Benzo[d]midazol-2-yl)methyl]-N-(3-(aminomethyl)benzyl)-5,6,7,8-tetrahydroquinolin-8-amine C-X-C chemokine receptor type 4 1402 ChEMBL 10.1021/jm100073m 10.7270/Q2GQ6XW9 20297846 Skerlj, RT; Bridger, GJ; Kaller, A; McEachern, EJ; Crawford, JB; Zhou, Y; Atsma, B; Langille, J; Nan, S; Veale, D; Wilson, T; Harwig, C; Hatse, S; Princen, K; De Clercq, E; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315289 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315289&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 9887073 104149650 CHEMBL1088867 ZINC34010435 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50569800 NCc1ccccc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc12 InChI=1S/C25H27N5/c26-15-19-7-1-2-8-20(19)16-30(17-24-28-21-11-3-4-12-22(21)29-24)23-13-5-9-18-10-6-14-27-25(18)23/h1-4,6-8,10-12,14,23H,5,9,13,15-17,26H2,(H,28,29) KOUKIXMZFKLIHI-UHFFFAOYSA-N 50315290 CHEMBL1093008::N-[(1H-Benzo[d]midazol-2-yl)methyl]-N-(2-(aminomethyl)benzyl)-5,6,7,8-tetrahydroquinolin-8-amine C-X-C chemokine receptor type 4 50 ChEMBL 10.1021/jm100073m 10.7270/Q2GQ6XW9 20297846 Skerlj, RT; Bridger, GJ; Kaller, A; McEachern, EJ; Crawford, JB; Zhou, Y; Atsma, B; Langille, J; Nan, S; Veale, D; Wilson, T; Harwig, C; Hatse, S; Princen, K; De Clercq, E; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315290 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315290&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 21984983 104149651 CHEMBL1093008 ZINC49071506 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50569801 NC\C=C/CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc12 InChI=1S/C21H25N5/c22-12-3-4-14-26(15-20-24-17-9-1-2-10-18(17)25-20)19-11-5-7-16-8-6-13-23-21(16)19/h1-4,6,8-10,13,19H,5,7,11-12,14-15,22H2,(H,24,25)/b4-3- SSNIKZLGJOBHFQ-ARJAWSKDSA-N 50315291 (Z)-N1-((1H-Benzo[d]imidazol-2-yl)methyl)-N1-(5,6,7,8-tetrahydroquinolin-8-yl)but-2-ene-1,4-diamine::CHEMBL1089844 C-X-C chemokine receptor type 4 77 ChEMBL 10.1021/jm100073m 10.7270/Q2GQ6XW9 20297846 Skerlj, RT; Bridger, GJ; Kaller, A; McEachern, EJ; Crawford, JB; Zhou, Y; Atsma, B; Langille, J; Nan, S; Veale, D; Wilson, T; Harwig, C; Hatse, S; Princen, K; De Clercq, E; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315291 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315291&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 46204208 104149652 CHEMBL1089844 ZINC49067617 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50569802 NC\C=C\CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc12 InChI=1S/C21H25N5/c22-12-3-4-14-26(15-20-24-17-9-1-2-10-18(17)25-20)19-11-5-7-16-8-6-13-23-21(16)19/h1-4,6,8-10,13,19H,5,7,11-12,14-15,22H2,(H,24,25)/b4-3+ SSNIKZLGJOBHFQ-ONEGZZNKSA-N 50315292 (E)-N1-((1H-Benzo[d]imidazol-2-yl)methyl)-N1-(5,6,7,8-tetrahydroquinolin-8-yl)but-2-ene-1,4-diamine::CHEMBL1089845 C-X-C chemokine receptor type 4 160 ChEMBL 10.1021/jm100073m 10.7270/Q2GQ6XW9 20297846 Skerlj, RT; Bridger, GJ; Kaller, A; McEachern, EJ; Crawford, JB; Zhou, Y; Atsma, B; Langille, J; Nan, S; Veale, D; Wilson, T; Harwig, C; Hatse, S; Princen, K; De Clercq, E; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315292 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315292&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 10172242 104149653 CHEMBL1089845 ZINC34373198 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50569803 NCC#CCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc12 InChI=1S/C21H23N5/c22-12-3-4-14-26(15-20-24-17-9-1-2-10-18(17)25-20)19-11-5-7-16-8-6-13-23-21(16)19/h1-2,6,8-10,13,19H,5,7,11-12,14-15,22H2,(H,24,25) ZQXRSZGLCHGNLB-UHFFFAOYSA-N 50315293 CHEMBL1089846::N1-(1H-Benzo[d]imidazol-2-ylmethyl)-N1-(5,6,7,8-tetrahydroquinolin-8-yl)but-2-yne-1,4-diamine C-X-C chemokine receptor type 4 973 ChEMBL 10.1021/jm100073m 10.7270/Q2GQ6XW9 20297846 Skerlj, RT; Bridger, GJ; Kaller, A; McEachern, EJ; Crawford, JB; Zhou, Y; Atsma, B; Langille, J; Nan, S; Veale, D; Wilson, T; Harwig, C; Hatse, S; Princen, K; De Clercq, E; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315293 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315293&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 10215423 104149654 CHEMBL1089846 ZINC38388095 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50569804 NCCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc12 InChI=1S/C19H23N5/c20-10-12-24(13-18-22-15-7-1-2-8-16(15)23-18)17-9-3-5-14-6-4-11-21-19(14)17/h1-2,4,6-8,11,17H,3,5,9-10,12-13,20H2,(H,22,23) LGYLONLVNWTPCP-UHFFFAOYSA-N 50315294 CHEMBL1093302::N1-(1H-Benzo[d]imidazol-2-ylmethyl)-N1-(5,6,7,8-tetrahydroquinolin-8-yl)ethane-1,2-diamine C-X-C chemokine receptor type 4 1369 ChEMBL 10.1021/jm100073m 10.7270/Q2GQ6XW9 20297846 Skerlj, RT; Bridger, GJ; Kaller, A; McEachern, EJ; Crawford, JB; Zhou, Y; Atsma, B; Langille, J; Nan, S; Veale, D; Wilson, T; Harwig, C; Hatse, S; Princen, K; De Clercq, E; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315294 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315294&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 10149770 104149655 CHEMBL1093302 ZINC34322240 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50569805 NCCCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc12 InChI=1S/C20H25N5/c21-11-5-13-25(14-19-23-16-8-1-2-9-17(16)24-19)18-10-3-6-15-7-4-12-22-20(15)18/h1-2,4,7-9,12,18H,3,5-6,10-11,13-14,21H2,(H,23,24) NNMQETMRHZSGJH-UHFFFAOYSA-N 50315295 CHEMBL1088912::N1-(1H-Benzo[d]imidazol-2-ylmethyl)-N1-(5,6,7,8-tetrahydroquinolin-8-yl)propane-1,3-diamine C-X-C chemokine receptor type 4 68 ChEMBL 10.1021/jm100073m 10.7270/Q2GQ6XW9 20297846 Skerlj, RT; Bridger, GJ; Kaller, A; McEachern, EJ; Crawford, JB; Zhou, Y; Atsma, B; Langille, J; Nan, S; Veale, D; Wilson, T; Harwig, C; Hatse, S; Princen, K; De Clercq, E; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315295 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315295&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 10308735 104149656 CHEMBL1088912 ZINC38476978 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50569806 NCCCCN(Cc1nc2ccccc2[nH]1)[C@@H]1CCCc2cccnc12 InChI=1S/C21H27N5/c22-12-3-4-14-26(15-20-24-17-9-1-2-10-18(17)25-20)19-11-5-7-16-8-6-13-23-21(16)19/h1-2,6,8-10,13,19H,3-5,7,11-12,14-15,22H2,(H,24,25)/t19-/m1/s1 WVLHHLRVNDMIAR-LJQANCHMSA-N 50315287 (R)-N1-((1H-benzo[d]imidazol-2-yl)methyl)-N1-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine::CHEMBL1093149 C-X-C chemokine receptor type 4 11 ChEMBL 10.1021/jm100073m 10.7270/Q2GQ6XW9 20297846 Skerlj, RT; Bridger, GJ; Kaller, A; McEachern, EJ; Crawford, JB; Zhou, Y; Atsma, B; Langille, J; Nan, S; Veale, D; Wilson, T; Harwig, C; Hatse, S; Princen, K; De Clercq, E; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315287 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315287&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 11233382 104149648 CHEMBL1093149 ZINC33359231 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50569807 NCCCCCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc12 InChI=1S/C22H29N5/c23-13-4-1-5-15-27(16-21-25-18-10-2-3-11-19(18)26-21)20-12-6-8-17-9-7-14-24-22(17)20/h2-3,7,9-11,14,20H,1,4-6,8,12-13,15-16,23H2,(H,25,26) VPWALYHGDSWLPU-UHFFFAOYSA-N 50315296 CHEMBL1092596::N1-(1H-Benzo[d]imidazol-2-ylmethyl)-N1-(5,6,7,8-tetrahydroquinolin-8-yl)pentane-1,5-diamine C-X-C chemokine receptor type 4 514 ChEMBL 10.1021/jm100073m 10.7270/Q2GQ6XW9 20297846 Skerlj, RT; Bridger, GJ; Kaller, A; McEachern, EJ; Crawford, JB; Zhou, Y; Atsma, B; Langille, J; Nan, S; Veale, D; Wilson, T; Harwig, C; Hatse, S; Princen, K; De Clercq, E; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315296 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315296&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 46204209 104149657 CHEMBL1092596 ZINC49072068 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50569808 NCCCCCCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc12 InChI=1S/C23H31N5/c24-14-5-1-2-6-16-28(17-22-26-19-11-3-4-12-20(19)27-22)21-13-7-9-18-10-8-15-25-23(18)21/h3-4,8,10-12,15,21H,1-2,5-7,9,13-14,16-17,24H2,(H,26,27) CUOZNADPDYAGTE-UHFFFAOYSA-N 50315297 CHEMBL1088916::N1-(1H-Benzo[d]imidazol-2-ylmethyl)-N1-(5,6,7,8-tetrahydroquinolin-8-yl)hexane-1,6-diamine C-X-C chemokine receptor type 4 75 ChEMBL 10.1021/jm100073m 10.7270/Q2GQ6XW9 20297846 Skerlj, RT; Bridger, GJ; Kaller, A; McEachern, EJ; Crawford, JB; Zhou, Y; Atsma, B; Langille, J; Nan, S; Veale, D; Wilson, T; Harwig, C; Hatse, S; Princen, K; De Clercq, E; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315297 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315297&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 46204210 104149658 CHEMBL1088916 ZINC49055704 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50569809 CN(C)CCCCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc12 InChI=1S/C23H31N5/c1-27(2)15-5-6-16-28(17-22-25-19-11-3-4-12-20(19)26-22)21-13-7-9-18-10-8-14-24-23(18)21/h3-4,8,10-12,14,21H,5-7,9,13,15-17H2,1-2H3,(H,25,26) KSXGYXRHMMQMJD-UHFFFAOYSA-N 50315298 CHEMBL1092301::N1-(1H-Benzo[d]imidazol-2-ylmethyl)-N4-N4dimethyl-N1-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine C-X-C chemokine receptor type 4 87 ChEMBL 10.1021/jm100073m 10.7270/Q2GQ6XW9 20297846 Skerlj, RT; Bridger, GJ; Kaller, A; McEachern, EJ; Crawford, JB; Zhou, Y; Atsma, B; Langille, J; Nan, S; Veale, D; Wilson, T; Harwig, C; Hatse, S; Princen, K; De Clercq, E; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315298 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315298&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 10237323 104149659 CHEMBL1092301 ZINC38411530 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50569810 CNCCCCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc12 InChI=1S/C22H29N5/c1-23-13-4-5-15-27(16-21-25-18-10-2-3-11-19(18)26-21)20-12-6-8-17-9-7-14-24-22(17)20/h2-3,7,9-11,14,20,23H,4-6,8,12-13,15-16H2,1H3,(H,25,26) NFSWESOWDXVPBY-UHFFFAOYSA-N 50315299 CHEMBL1092302::N1-(1H-Benzo[d]imidazol-2-ylmethyl)-N4-methyl-N1-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine C-X-C chemokine receptor type 4 190 ChEMBL 10.1021/jm100073m 10.7270/Q2GQ6XW9 20297846 Skerlj, RT; Bridger, GJ; Kaller, A; McEachern, EJ; Crawford, JB; Zhou, Y; Atsma, B; Langille, J; Nan, S; Veale, D; Wilson, T; Harwig, C; Hatse, S; Princen, K; De Clercq, E; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315299 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315299&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 10286987 104149660 CHEMBL1092302 ZINC38459316 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50569811 N#CCCCCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc12 InChI=1S/C22H25N5/c23-13-4-1-5-15-27(16-21-25-18-10-2-3-11-19(18)26-21)20-12-6-8-17-9-7-14-24-22(17)20/h2-3,7,9-11,14,20H,1,4-6,8,12,15-16H2,(H,25,26) QTMSCGPNCBOZCI-UHFFFAOYSA-N 50315300 5-(((1H-Benzo[d]imidazol-2-yl)methyl)(5,6,7,8-tetrahydroquinolin-8-yl)amino)butanenitrile::CHEMBL1092628 C-X-C chemokine receptor type 4 442 ChEMBL 10.1021/jm100073m 10.7270/Q2GQ6XW9 20297846 Skerlj, RT; Bridger, GJ; Kaller, A; McEachern, EJ; Crawford, JB; Zhou, Y; Atsma, B; Langille, J; Nan, S; Veale, D; Wilson, T; Harwig, C; Hatse, S; Princen, K; De Clercq, E; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315300 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315300&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 46884785 104149661 CHEMBL1092628 ZINC49069260 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50569812 NCCCC(=O)N(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc12 InChI=1S/C21H25N5O/c22-12-4-11-20(27)26(14-19-24-16-8-1-2-9-17(16)25-19)18-10-3-6-15-7-5-13-23-21(15)18/h1-2,5,7-9,13,18H,3-4,6,10-12,14,22H2,(H,24,25) CQYBSHWVZIXIKN-UHFFFAOYSA-N 50315301 CHEMBL1092629::N-((1H-Benzo[d]imidazol-2-yl)methyl)-4-methyl-N-(5,6,7,8-tetrahydroquinolin-8-yl)butanamide C-X-C chemokine receptor type 4 3200 ChEMBL 10.1021/jm100073m 10.7270/Q2GQ6XW9 20297846 Skerlj, RT; Bridger, GJ; Kaller, A; McEachern, EJ; Crawford, JB; Zhou, Y; Atsma, B; Langille, J; Nan, S; Veale, D; Wilson, T; Harwig, C; Hatse, S; Princen, K; De Clercq, E; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315301 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315301&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 46204212 104149662 CHEMBL1092629 ZINC49069264 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50569813 C(NCc1ccccn1)c1ccc(CN(Cc2nc3ccccc3[nH]2)C2CCCc3cccnc23)cc1 InChI=1S/C31H32N6/c1-2-11-28-27(10-1)35-30(36-28)22-37(29-12-5-7-25-8-6-18-34-31(25)29)21-24-15-13-23(14-16-24)19-32-20-26-9-3-4-17-33-26/h1-4,6,8-11,13-18,29,32H,5,7,12,19-22H2,(H,35,36) YPTODVXKEJXEET-UHFFFAOYSA-N 50315302 CHEMBL1089434::N-(2-Pyridinylmethyl)-N'-(1H-benzimidazol-2-ylmethyl)-N'-(5,6,7,8-tetrahydro-8-quinolinyl)-1,4-benzenedimethanamine C-X-C chemokine receptor type 4 250 ChEMBL 10.1021/jm100073m 10.7270/Q2GQ6XW9 20297846 Skerlj, RT; Bridger, GJ; Kaller, A; McEachern, EJ; Crawford, JB; Zhou, Y; Atsma, B; Langille, J; Nan, S; Veale, D; Wilson, T; Harwig, C; Hatse, S; Princen, K; De Clercq, E; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315302 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315302&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 9959718 104149663 CHEMBL1089434 ZINC34049450 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50569814 C(NCc1ccccn1)c1ccc(CN(Cc2nc3ccccc3[nH]2)[C@H]2CCCc3cccnc23)cc1 InChI=1S/C31H32N6/c1-2-11-28-27(10-1)35-30(36-28)22-37(29-12-5-7-25-8-6-18-34-31(25)29)21-24-15-13-23(14-16-24)19-32-20-26-9-3-4-17-33-26/h1-4,6,8-11,13-18,29,32H,5,7,12,19-22H2,(H,35,36)/t29-/m0/s1 YPTODVXKEJXEET-LJAQVGFWSA-N 50315303 (S)-N-(2-Pyridinylmethyl)-N'-(1H-benzimidazol-2-ylmethyl)-N'-(5,6,7,8-tetrahydro-8-quinolinyl)-1,4-benzenedimethanamine::CHEMBL1093137 C-X-C chemokine receptor type 4 120 ChEMBL 10.1021/jm100073m 10.7270/Q2GQ6XW9 20297846 Skerlj, RT; Bridger, GJ; Kaller, A; McEachern, EJ; Crawford, JB; Zhou, Y; Atsma, B; Langille, J; Nan, S; Veale, D; Wilson, T; Harwig, C; Hatse, S; Princen, K; De Clercq, E; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315303 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315303&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 46206137 104149664 CHEMBL1093137 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50569815 C(NCc1ccccn1)c1ccc(CN(Cc2nc3ccccc3[nH]2)[C@@H]2CCCc3cccnc23)cc1 InChI=1S/C31H32N6/c1-2-11-28-27(10-1)35-30(36-28)22-37(29-12-5-7-25-8-6-18-34-31(25)29)21-24-15-13-23(14-16-24)19-32-20-26-9-3-4-17-33-26/h1-4,6,8-11,13-18,29,32H,5,7,12,19-22H2,(H,35,36)/t29-/m1/s1 YPTODVXKEJXEET-GDLZYMKVSA-N 50315304 (R)-N-(2-Pyridinylmethyl)-N'-(1H-benzimidazol-2-ylmethyl)-N'-(5,6,7,8-tetrahydro-8-quinolinyl)-1,4-benzenedimethanamine::CHEMBL1090509 C-X-C chemokine receptor type 4 29200 ChEMBL 10.1021/jm100073m 10.7270/Q2GQ6XW9 20297846 Skerlj, RT; Bridger, GJ; Kaller, A; McEachern, EJ; Crawford, JB; Zhou, Y; Atsma, B; Langille, J; Nan, S; Veale, D; Wilson, T; Harwig, C; Hatse, S; Princen, K; De Clercq, E; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315304 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315304&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 46206136 104149665 CHEMBL1090509 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50569816 NCCCCN(Cc1nc2ccccc2[nH]1)[C@@H]1CCCc2cccnc12 InChI=1S/C21H27N5/c22-12-3-4-14-26(15-20-24-17-9-1-2-10-18(17)25-20)19-11-5-7-16-8-6-13-23-21(16)19/h1-2,6,8-10,13,19H,3-5,7,11-12,14-15,22H2,(H,24,25)/t19-/m1/s1 WVLHHLRVNDMIAR-LJQANCHMSA-N 50315287 (R)-N1-((1H-benzo[d]imidazol-2-yl)methyl)-N1-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine::CHEMBL1093149 C-X-C chemokine receptor type 4 22 ChEMBL 10.1021/jm100073m 10.7270/Q2GQ6XW9 20297846 Skerlj, RT; Bridger, GJ; Kaller, A; McEachern, EJ; Crawford, JB; Zhou, Y; Atsma, B; Langille, J; Nan, S; Veale, D; Wilson, T; Harwig, C; Hatse, S; Princen, K; De Clercq, E; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315287 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315287&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 11233382 104149648 CHEMBL1093149 ZINC33359231 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50569817 NCCCCN(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc12 InChI=1S/C21H27N5/c22-12-3-4-14-26(15-20-24-17-9-1-2-10-18(17)25-20)19-11-5-7-16-8-6-13-23-21(16)19/h1-2,6,8-10,13,19H,3-5,7,11-12,14-15,22H2,(H,24,25)/t19-/m0/s1 WVLHHLRVNDMIAR-IBGZPJMESA-N 50315305 (S)-N-((1H-benzo[d]imidazol-2-yl)methyl)-N-(4-aminobutyl)-5,6,7,8-tetrahydroquinolin-8-amine::(S)-N1-((1H-benzo[d]imidazol-2-yl)methyl)-N1-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine::CHEMBL518924 C-X-C chemokine receptor type 4 13 ChEMBL 10.1021/jm100073m 10.7270/Q2GQ6XW9 20297846 Skerlj, RT; Bridger, GJ; Kaller, A; McEachern, EJ; Crawford, JB; Zhou, Y; Atsma, B; Langille, J; Nan, S; Veale, D; Wilson, T; Harwig, C; Hatse, S; Princen, K; De Clercq, E; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315305 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315305&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 11256587 104149666 CHEMBL518924 ZINC33359232 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50558763 CCCC[C@H]1CN(CC2CCOCC2)C(=O)OC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C InChI=1S/C31H49N5O4/c1-5-6-7-26-21-35(20-25-8-18-39-19-9-25)29(38)40-31(26)12-16-36(17-13-31)30(4)10-14-34(15-11-30)28(37)27-23(2)32-22-33-24(27)3/h22,25-26H,5-21H2,1-4H3/t26-/m0/s1 CXXVJZRGOOIVOD-SANMLTNESA-N 50310739 (S)-5-butyl-9-(1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl)-3-((tetrahydro-2H-pyran-4-yl)methyl)-1-oxa-3,9-diazaspiro[5.5]undecan-2-one::CHEMBL1078231 C-X-C chemokine receptor type 4 >50000 ChEMBL 10.1016/j.bmcl.2009.07.122 10.7270/Q25H7GD5 19674898 Rotstein, DM; Gabriel, SD; Makra, F; Filonova, L; Gleason, S; Brotherton-Pleiss, C; Setti, LQ; Trejo-Martin, A; Lee, EK; Sankuratri, S; Ji, C; Derosier, A; Dioszegi, M; Heilek, G; Jekle, A; Berry, P; Weller, P; Mau, CI Roche Palo Alto LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50310739 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50310739&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 44555481 104145100 CHEMBL1078231 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50573063 CN(C)CCCc1c(CN(C)[C@H]2CCCc3cccnc23)ncc2ccccc12 InChI=1S/C25H32N4/c1-28(2)16-8-13-22-21-12-5-4-9-20(21)17-27-23(22)18-29(3)24-14-6-10-19-11-7-15-26-25(19)24/h4-5,7,9,11-12,15,17,24H,6,8,10,13-14,16,18H2,1-3H3/t24-/m0/s1 NCJXUQPGDDNZEA-DEOSSOPVSA-N 50316633 (S)-N-((4-(3-(dimethylamino)propyl)isoquinolin-3-yl)methyl)-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine::CHEMBL1096504 C-X-C chemokine receptor type 4 3.4 ChEMBL 10.1016/j.bmcl.2010.03.118 10.7270/Q2J67H2D 20443225 Miller, JF; Gudmundsson, KS; D'Aurora Richardson, L; Jenkinson, S; Spaltenstein, A; Thomson, M; Wheelan, P GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50316633 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50316633&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 46830205 104150994 CHEMBL1096504 ZINC49113091 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50573064 NCCCCN(Cc1nc2ccccc2[nH]1)[C@@H]1CCCc2cccnc12 InChI=1S/C21H27N5/c22-12-3-4-14-26(15-20-24-17-9-1-2-10-18(17)25-20)19-11-5-7-16-8-6-13-23-21(16)19/h1-2,6,8-10,13,19H,3-5,7,11-12,14-15,22H2,(H,24,25)/t19-/m1/s1 WVLHHLRVNDMIAR-LJQANCHMSA-N 50315287 (R)-N1-((1H-benzo[d]imidazol-2-yl)methyl)-N1-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine::CHEMBL1093149 C-X-C chemokine receptor type 4 36 ChEMBL 10.1016/j.bmcl.2010.03.118 10.7270/Q2J67H2D 20443225 Miller, JF; Gudmundsson, KS; D'Aurora Richardson, L; Jenkinson, S; Spaltenstein, A; Thomson, M; Wheelan, P GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315287 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315287&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 11233382 104149648 CHEMBL1093149 ZINC33359231 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50573065 CN(C)CC(=O)NCc1c(CN(C)[C@H]2CCCc3cccnc23)ncc2ccccc12 InChI=1S/C25H31N5O/c1-29(2)17-24(31)28-15-21-20-11-5-4-8-19(20)14-27-22(21)16-30(3)23-12-6-9-18-10-7-13-26-25(18)23/h4-5,7-8,10-11,13-14,23H,6,9,12,15-17H2,1-3H3,(H,28,31)/t23-/m0/s1 IEKWKJWERXTPMS-QHCPKHFHSA-N 50316634 (S)-2-(dimethylamino)-N-((3-((methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino)methyl)isoquinolin-4-yl)methyl)acetamide::CHEMBL1094864 C-X-C chemokine receptor type 4 16 ChEMBL 10.1016/j.bmcl.2010.03.118 10.7270/Q2J67H2D 20443225 Miller, JF; Gudmundsson, KS; D'Aurora Richardson, L; Jenkinson, S; Spaltenstein, A; Thomson, M; Wheelan, P GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50316634 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50316634&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 46888759 104150995 CHEMBL1094864 ZINC49071299 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50597265 CN(Cc1nc2cccc(N3CCN(C)CC3)n2c1CO)[C@H]1CCCc2cccnc12 InChI=1S/C24H32N6O/c1-27-12-14-29(15-13-27)23-10-4-9-22-26-19(21(17-31)30(22)23)16-28(2)20-8-3-6-18-7-5-11-25-24(18)20/h4-5,7,9-11,20,31H,3,6,8,12-17H2,1-2H3/t20-/m0/s1 QUDMHFVRKBVGBY-FQEVSTJZSA-N 50326057 ([5-(4-Methyl-1-piperazinyl)-2-({methyl[(8S)-5,6,7,8-tetrahydro-8-quinolinyl]amino}methyl)imidazo[1,2-a]pyridin-3-yl]methanol)::CHEMBL1242210 C-X-C chemokine receptor type 4 2.41 ChEMBL 10.1128/AAC.01293-09 10.7270/Q2F47PBF 19949058 Jenkinson, S; Thomson, M; McCoy, D; Edelstein, M; Danehower, S; Lawrence, W; Wheelan, P; Spaltenstein, A; Gudmundsson, K GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50326057 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50326057&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 11718722 123105172 CHEMBL1242210 ZINC34642268 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50597266 CN(Cc1nc2cccc(N3CCN(C)CC3)n2c1CO)[C@H]1CCCc2cccnc12 InChI=1S/C24H32N6O/c1-27-12-14-29(15-13-27)23-10-4-9-22-26-19(21(17-31)30(22)23)16-28(2)20-8-3-6-18-7-5-11-25-24(18)20/h4-5,7,9-11,20,31H,3,6,8,12-17H2,1-2H3/t20-/m0/s1 QUDMHFVRKBVGBY-FQEVSTJZSA-N 50326057 ([5-(4-Methyl-1-piperazinyl)-2-({methyl[(8S)-5,6,7,8-tetrahydro-8-quinolinyl]amino}methyl)imidazo[1,2-a]pyridin-3-yl]methanol)::CHEMBL1242210 C-X-C chemokine receptor type 4 0.34 ChEMBL 10.1128/AAC.01293-09 10.7270/Q2F47PBF 19949058 Jenkinson, S; Thomson, M; McCoy, D; Edelstein, M; Danehower, S; Lawrence, W; Wheelan, P; Spaltenstein, A; Gudmundsson, K GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50326057 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50326057&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 11718722 123105172 CHEMBL1242210 ZINC34642268 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50597267 CN(Cc1nc2cccc(N3CCN(C)CC3)n2c1CO)[C@H]1CCCc2cccnc12 InChI=1S/C24H32N6O/c1-27-12-14-29(15-13-27)23-10-4-9-22-26-19(21(17-31)30(22)23)16-28(2)20-8-3-6-18-7-5-11-25-24(18)20/h4-5,7,9-11,20,31H,3,6,8,12-17H2,1-2H3/t20-/m0/s1 QUDMHFVRKBVGBY-FQEVSTJZSA-N 50326057 ([5-(4-Methyl-1-piperazinyl)-2-({methyl[(8S)-5,6,7,8-tetrahydro-8-quinolinyl]amino}methyl)imidazo[1,2-a]pyridin-3-yl]methanol)::CHEMBL1242210 C-X-C chemokine receptor type 4 3.36 ChEMBL 10.1128/AAC.01293-09 10.7270/Q2F47PBF 19949058 Jenkinson, S; Thomson, M; McCoy, D; Edelstein, M; Danehower, S; Lawrence, W; Wheelan, P; Spaltenstein, A; Gudmundsson, K GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50326057 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50326057&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 11718722 123105172 CHEMBL1242210 ZINC34642268 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50597268 CN(Cc1nc2cccc(N3CCN(C)CC3)n2c1CO)[C@H]1CCCc2cccnc12 InChI=1S/C24H32N6O/c1-27-12-14-29(15-13-27)23-10-4-9-22-26-19(21(17-31)30(22)23)16-28(2)20-8-3-6-18-7-5-11-25-24(18)20/h4-5,7,9-11,20,31H,3,6,8,12-17H2,1-2H3/t20-/m0/s1 QUDMHFVRKBVGBY-FQEVSTJZSA-N 50326057 ([5-(4-Methyl-1-piperazinyl)-2-({methyl[(8S)-5,6,7,8-tetrahydro-8-quinolinyl]amino}methyl)imidazo[1,2-a]pyridin-3-yl]methanol)::CHEMBL1242210 C-X-C chemokine receptor type 4 1.07 ChEMBL 10.1128/AAC.01293-09 10.7270/Q2F47PBF 19949058 Jenkinson, S; Thomson, M; McCoy, D; Edelstein, M; Danehower, S; Lawrence, W; Wheelan, P; Spaltenstein, A; Gudmundsson, K GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50326057 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50326057&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 11718722 123105172 CHEMBL1242210 ZINC34642268 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50597269 CN(Cc1nc2cccc(N3CCN(C)CC3)n2c1CO)[C@H]1CCCc2cccnc12 InChI=1S/C24H32N6O/c1-27-12-14-29(15-13-27)23-10-4-9-22-26-19(21(17-31)30(22)23)16-28(2)20-8-3-6-18-7-5-11-25-24(18)20/h4-5,7,9-11,20,31H,3,6,8,12-17H2,1-2H3/t20-/m0/s1 QUDMHFVRKBVGBY-FQEVSTJZSA-N 50326057 ([5-(4-Methyl-1-piperazinyl)-2-({methyl[(8S)-5,6,7,8-tetrahydro-8-quinolinyl]amino}methyl)imidazo[1,2-a]pyridin-3-yl]methanol)::CHEMBL1242210 C-X-C chemokine receptor type 4 26.64 ChEMBL 10.1128/AAC.01293-09 10.7270/Q2F47PBF 19949058 Jenkinson, S; Thomson, M; McCoy, D; Edelstein, M; Danehower, S; Lawrence, W; Wheelan, P; Spaltenstein, A; Gudmundsson, K GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50326057 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50326057&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 11718722 123105172 CHEMBL1242210 ZINC34642268 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50597270 CN(Cc1nc2cccc(N3CCN(C)CC3)n2c1CO)[C@H]1CCCc2cccnc12 InChI=1S/C24H32N6O/c1-27-12-14-29(15-13-27)23-10-4-9-22-26-19(21(17-31)30(22)23)16-28(2)20-8-3-6-18-7-5-11-25-24(18)20/h4-5,7,9-11,20,31H,3,6,8,12-17H2,1-2H3/t20-/m0/s1 QUDMHFVRKBVGBY-FQEVSTJZSA-N 50326057 ([5-(4-Methyl-1-piperazinyl)-2-({methyl[(8S)-5,6,7,8-tetrahydro-8-quinolinyl]amino}methyl)imidazo[1,2-a]pyridin-3-yl]methanol)::CHEMBL1242210 C-X-C chemokine receptor type 4 0.87 ChEMBL 10.1128/AAC.01293-09 10.7270/Q2F47PBF 19949058 Jenkinson, S; Thomson, M; McCoy, D; Edelstein, M; Danehower, S; Lawrence, W; Wheelan, P; Spaltenstein, A; Gudmundsson, K GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50326057 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50326057&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 11718722 123105172 CHEMBL1242210 ZINC34642268 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50597271 CN(Cc1nc2cccc(N3CCN(C)CC3)n2c1CO)[C@H]1CCCc2cccnc12 InChI=1S/C24H32N6O/c1-27-12-14-29(15-13-27)23-10-4-9-22-26-19(21(17-31)30(22)23)16-28(2)20-8-3-6-18-7-5-11-25-24(18)20/h4-5,7,9-11,20,31H,3,6,8,12-17H2,1-2H3/t20-/m0/s1 QUDMHFVRKBVGBY-FQEVSTJZSA-N 50326057 ([5-(4-Methyl-1-piperazinyl)-2-({methyl[(8S)-5,6,7,8-tetrahydro-8-quinolinyl]amino}methyl)imidazo[1,2-a]pyridin-3-yl]methanol)::CHEMBL1242210 C-X-C chemokine receptor type 4 6.6 ChEMBL 10.1128/AAC.01293-09 10.7270/Q2F47PBF 19949058 Jenkinson, S; Thomson, M; McCoy, D; Edelstein, M; Danehower, S; Lawrence, W; Wheelan, P; Spaltenstein, A; Gudmundsson, K GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50326057 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50326057&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 11718722 123105172 CHEMBL1242210 ZINC34642268 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50600483 NC(N)=NCCCC(NC(=O)[C@H]1CSSC[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)c2ccc(F)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCNC(=O)CCC(=O)NCCCCN2CCC(CC2)NC(=O)C(=O)Nc2ccc(Cl)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N1)C(N)=O InChI=1S/C118H171ClFN39O23S2/c119-73-34-38-75(39-35-73)143-109(178)110(179)144-76-46-59-158(60-47-76)57-6-5-49-135-94(163)45-44-93(162)134-48-4-3-17-86-111(180)159-58-14-25-92(159)108(177)155-88(63-68-29-42-78(161)43-30-68)104(173)151-81(20-9-52-138-114(126)127)98(167)149-85(24-13-56-142-118(133)182)102(171)156-90(106(175)145-79(95(121)164)18-7-50-136-112(122)123)65-183-184-66-91(107(176)154-87(62-67-27-40-77(160)41-28-67)103(172)150-82(23-12-55-141-117(132)181)99(168)147-83(100(169)152-86)21-10-53-139-115(128)129)157-105(174)89(64-69-26-31-70-15-1-2-16-72(70)61-69)153-101(170)84(22-11-54-140-116(130)131)148-97(166)80(19-8-51-137-113(124)125)146-96(165)71-32-36-74(120)37-33-71/h1-2,15-16,26-43,61,76,79-92,160-161H,3-14,17-25,44-60,62-66H2,(H2,121,164)(H,134,162)(H,135,163)(H,143,178)(H,144,179)(H,145,175)(H,146,165)(H,147,168)(H,148,166)(H,149,167)(H,150,172)(H,151,173)(H,152,169)(H,153,170)(H,154,176)(H,155,177)(H,156,171)(H,157,174)(H4,122,123,136)(H4,124,125,137)(H4,126,127,138)(H4,128,129,139)(H4,130,131,140)(H3,132,141,181)(H3,133,142,182)/t79?,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90+,91+,92-/m0/s1 FLIHRTYIXQVAAH-MIFCRQTHSA-N 50327300 CHEMBL1256528 C-X-C chemokine receptor type 4 4.4 ChEMBL 10.1016/j.bmcl.2010.07.106 10.7270/Q2TX3FKH 20728351 Narumi, T; Ochiai, C; Yoshimura, K; Harada, S; Tanaka, T; Nomura, W; Arai, H; Ozaki, T; Ohashi, N; Matsushita, S; Tamamura, H Tokyo Medical and Dental University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50327300 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50327300&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 91933415 123106415 CHEMBL1256528 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50600484 NC(N)=NCCC[C@H](NC(=O)[C@H]1CSSC[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)c2ccc(F)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCNC(=O)CCC(=O)NCCCCCCN2CCC(CC2)NC(=O)C(=O)Nc2ccc(Cl)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N1)C(N)=O InChI=1S/C120H175ClFN39O23S2/c121-75-36-40-77(41-37-75)145-111(180)112(181)146-78-48-61-160(62-49-78)59-8-2-1-6-50-136-95(164)46-47-96(165)137-51-7-5-19-88-113(182)161-60-16-27-94(161)110(179)157-90(65-70-31-44-80(163)45-32-70)106(175)153-83(22-11-54-140-116(128)129)100(169)151-87(26-15-58-144-120(135)184)104(173)158-92(108(177)147-81(97(123)166)20-9-52-138-114(124)125)67-185-186-68-93(109(178)156-89(64-69-29-42-79(162)43-30-69)105(174)152-84(25-14-57-143-119(134)183)101(170)149-85(102(171)154-88)23-12-55-141-117(130)131)159-107(176)91(66-71-28-33-72-17-3-4-18-74(72)63-71)155-103(172)86(24-13-56-142-118(132)133)150-99(168)82(21-10-53-139-115(126)127)148-98(167)73-34-38-76(122)39-35-73/h3-4,17-18,28-45,63,78,81-94,162-163H,1-2,5-16,19-27,46-62,64-68H2,(H2,123,166)(H,136,164)(H,137,165)(H,145,180)(H,146,181)(H,147,177)(H,148,167)(H,149,170)(H,150,168)(H,151,169)(H,152,174)(H,153,175)(H,154,171)(H,155,172)(H,156,178)(H,157,179)(H,158,173)(H,159,176)(H4,124,125,138)(H4,126,127,139)(H4,128,129,140)(H4,130,131,141)(H4,132,133,142)(H3,134,143,183)(H3,135,144,184)/t81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92+,93+,94-/m0/s1 NYZIEJQHQJQXKL-GVNOWZCZSA-N 50327301 CHEMBL1256529 C-X-C chemokine receptor type 4 19 ChEMBL 10.1016/j.bmcl.2010.07.106 10.7270/Q2TX3FKH 20728351 Narumi, T; Ochiai, C; Yoshimura, K; Harada, S; Tanaka, T; Nomura, W; Arai, H; Ozaki, T; Ohashi, N; Matsushita, S; Tamamura, H Tokyo Medical and Dental University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50327301 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50327301&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 91933416 123106416 CHEMBL1256529 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50600485 NC(N)=NCCC[C@H](NC(=O)[C@H]1CSSC[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)c2ccc(F)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCNC(=O)CCC(=O)NCCCCCCCCN2CCC(CC2)NC(=O)C(=O)Nc2ccc(Cl)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N1)C(N)=O InChI=1S/C122H179ClFN39O23S2/c123-77-38-42-79(43-39-77)147-113(182)114(183)148-80-50-63-162(64-51-80)61-10-4-2-1-3-8-52-138-97(166)48-49-98(167)139-53-9-7-21-90-115(184)163-62-18-29-96(163)112(181)159-92(67-72-33-46-82(165)47-34-72)108(177)155-85(24-13-56-142-118(130)131)102(171)153-89(28-17-60-146-122(137)186)106(175)160-94(110(179)149-83(99(125)168)22-11-54-140-116(126)127)69-187-188-70-95(111(180)158-91(66-71-31-44-81(164)45-32-71)107(176)154-86(27-16-59-145-121(136)185)103(172)151-87(104(173)156-90)25-14-57-143-119(132)133)161-109(178)93(68-73-30-35-74-19-5-6-20-76(74)65-73)157-105(174)88(26-15-58-144-120(134)135)152-101(170)84(23-12-55-141-117(128)129)150-100(169)75-36-40-78(124)41-37-75/h5-6,19-20,30-47,65,80,83-96,164-165H,1-4,7-18,21-29,48-64,66-70H2,(H2,125,168)(H,138,166)(H,139,167)(H,147,182)(H,148,183)(H,149,179)(H,150,169)(H,151,172)(H,152,170)(H,153,171)(H,154,176)(H,155,177)(H,156,173)(H,157,174)(H,158,180)(H,159,181)(H,160,175)(H,161,178)(H4,126,127,140)(H4,128,129,141)(H4,130,131,142)(H4,132,133,143)(H4,134,135,144)(H3,136,145,185)(H3,137,146,186)/t83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94+,95+,96-/m0/s1 OQQBJAMSZBPMME-PZMPMIOWSA-N 50327302 CHEMBL1256530::CHEMBL1256583 C-X-C chemokine receptor type 4 7.10 ChEMBL 10.1016/j.bmcl.2010.07.106 10.7270/Q2TX3FKH 20728351 Narumi, T; Ochiai, C; Yoshimura, K; Harada, S; Tanaka, T; Nomura, W; Arai, H; Ozaki, T; Ohashi, N; Matsushita, S; Tamamura, H Tokyo Medical and Dental University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50327302 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50327302&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 91933417 123106417 CHEMBL1256530CHEMBL1256583 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50624947 NCCCCN(Cc1ccccn1)C1CCCc2cccnc12 InChI=1S/C19H26N4/c20-11-2-4-14-23(15-17-9-1-3-12-21-17)18-10-5-7-16-8-6-13-22-19(16)18/h1,3,6,8-9,12-13,18H,2,4-5,7,10-11,14-15,20H2 VGHVNBUMMIDEEM-UHFFFAOYSA-N 50337560 (+/-)-N1-(pyridine-2-ylmethyl)-N1-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine::CHEMBL1099015::rac-N1-(pyridin-2-ylmethyl)-N1-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine C-X-C chemokine receptor type 4 74 ChEMBL 10.1016/j.bmcl.2011.01.021 10.7270/Q2FT8M9F 21295470 Skerlj, R; Bridger, G; McEachern, E; Harwig, C; Smith, C; Kaller, A; Veale, D; Yee, H; Skupinska, K; Wauthy, R; Wang, L; Baird, I; Zhu, Y; Burrage, K; Yang, W; Sartori, M; Huskens, D; De Clercq, E; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50337560 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50337560&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 46888654 125087662 CHEMBL1099015 ZINC49114389 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50624948 Cc1cccnc1CN(CCCCN)C1CCCc2cccnc12 InChI=1S/C20H28N4/c1-16-7-5-12-22-18(16)15-24(14-3-2-11-21)19-10-4-8-17-9-6-13-23-20(17)19/h5-7,9,12-13,19H,2-4,8,10-11,14-15,21H2,1H3 DYIVWDFUVRUDQO-UHFFFAOYSA-N 50337561 CHEMBL1682854::rac-N1-(3-methylpyridin-2-ylmethyl)-N1-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine C-X-C chemokine receptor type 4 18 ChEMBL 10.1016/j.bmcl.2011.01.021 10.7270/Q2FT8M9F 21295470 Skerlj, R; Bridger, G; McEachern, E; Harwig, C; Smith, C; Kaller, A; Veale, D; Yee, H; Skupinska, K; Wauthy, R; Wang, L; Baird, I; Zhu, Y; Burrage, K; Yang, W; Sartori, M; Huskens, D; De Clercq, E; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50337561 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50337561&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 53322384 125087663 CHEMBL1682854 ZINC66076002 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50624949 Cc1ccnc(CN(CCCCN)C2CCCc3cccnc23)c1 InChI=1S/C20H28N4/c1-16-9-12-22-18(14-16)15-24(13-3-2-10-21)19-8-4-6-17-7-5-11-23-20(17)19/h5,7,9,11-12,14,19H,2-4,6,8,10,13,15,21H2,1H3 AOYOMCFAVFSUJS-UHFFFAOYSA-N 50337562 CHEMBL1682855::rac-N1-((4-methylpyridin-2-yl)methyl)-N1-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine C-X-C chemokine receptor type 4 91 ChEMBL 10.1016/j.bmcl.2011.01.021 10.7270/Q2FT8M9F 21295470 Skerlj, R; Bridger, G; McEachern, E; Harwig, C; Smith, C; Kaller, A; Veale, D; Yee, H; Skupinska, K; Wauthy, R; Wang, L; Baird, I; Zhu, Y; Burrage, K; Yang, W; Sartori, M; Huskens, D; De Clercq, E; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50337562 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50337562&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 53319745 125087664 CHEMBL1682855 ZINC66076006 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50624950 Cc1ccc(CN(CCCCN)C2CCCc3cccnc23)nc1 InChI=1S/C20H28N4/c1-16-9-10-18(23-14-16)15-24(13-3-2-11-21)19-8-4-6-17-7-5-12-22-20(17)19/h5,7,9-10,12,14,19H,2-4,6,8,11,13,15,21H2,1H3 OPYUKWLQFVZBTO-UHFFFAOYSA-N 50337563 CHEMBL1682856::rac-N1-(4-Methylpyridin-2-ylmethyl)-N1-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine C-X-C chemokine receptor type 4 35 ChEMBL 10.1016/j.bmcl.2011.01.021 10.7270/Q2FT8M9F 21295470 Skerlj, R; Bridger, G; McEachern, E; Harwig, C; Smith, C; Kaller, A; Veale, D; Yee, H; Skupinska, K; Wauthy, R; Wang, L; Baird, I; Zhu, Y; Burrage, K; Yang, W; Sartori, M; Huskens, D; De Clercq, E; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50337563 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50337563&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 53321037 125087665 CHEMBL1682856 ZINC66076009 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50624951 Cc1cccc(CN(CCCCN)C2CCCc3cccnc23)n1 InChI=1S/C20H28N4/c1-16-7-4-10-18(23-16)15-24(14-3-2-12-21)19-11-5-8-17-9-6-13-22-20(17)19/h4,6-7,9-10,13,19H,2-3,5,8,11-12,14-15,21H2,1H3 DYNCUXHVLGCFAT-UHFFFAOYSA-N 50337564 CHEMBL1682857::rac-N1-(6-Methylpyridin-2-ylmethyl)-N1-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine C-X-C chemokine receptor type 4 53 ChEMBL 10.1016/j.bmcl.2011.01.021 10.7270/Q2FT8M9F 21295470 Skerlj, R; Bridger, G; McEachern, E; Harwig, C; Smith, C; Kaller, A; Veale, D; Yee, H; Skupinska, K; Wauthy, R; Wang, L; Baird, I; Zhu, Y; Burrage, K; Yang, W; Sartori, M; Huskens, D; De Clercq, E; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50337564 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50337564&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 53322385 125087666 CHEMBL1682857 ZINC66076012 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50624952 Cc1cc(C)nc(CN(CCCCN)C2CCCc3cccnc23)c1 InChI=1S/C21H30N4/c1-16-13-17(2)24-19(14-16)15-25(12-4-3-10-22)20-9-5-7-18-8-6-11-23-21(18)20/h6,8,11,13-14,20H,3-5,7,9-10,12,15,22H2,1-2H3 YFAGKMFPCCCDTH-UHFFFAOYSA-N 50337565 CHEMBL1682858::rac-N1-((4,6-dimethylpyridin-2-yl)methyl)-N1-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine C-X-C chemokine receptor type 4 38 ChEMBL 10.1016/j.bmcl.2011.01.021 10.7270/Q2FT8M9F 21295470 Skerlj, R; Bridger, G; McEachern, E; Harwig, C; Smith, C; Kaller, A; Veale, D; Yee, H; Skupinska, K; Wauthy, R; Wang, L; Baird, I; Zhu, Y; Burrage, K; Yang, W; Sartori, M; Huskens, D; De Clercq, E; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50337565 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50337565&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 53321038 125087667 CHEMBL1682858 ZINC66079684 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50624953 Cc1cnc(CN(CCCCN)C2CCCc3cccnc23)c(C)c1 InChI=1S/C21H30N4/c1-16-13-17(2)19(24-14-16)15-25(12-4-3-10-22)20-9-5-7-18-8-6-11-23-21(18)20/h6,8,11,13-14,20H,3-5,7,9-10,12,15,22H2,1-2H3 RWOKPEBGBZGDQJ-UHFFFAOYSA-N 50337566 CHEMBL1682859::rac-N'-(3,5-Dimethylpyridin-2-ylmethyl)-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine C-X-C chemokine receptor type 4 19 ChEMBL 10.1016/j.bmcl.2011.01.021 10.7270/Q2FT8M9F 21295470 Skerlj, R; Bridger, G; McEachern, E; Harwig, C; Smith, C; Kaller, A; Veale, D; Yee, H; Skupinska, K; Wauthy, R; Wang, L; Baird, I; Zhu, Y; Burrage, K; Yang, W; Sartori, M; Huskens, D; De Clercq, E; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50337566 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50337566&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 53321039 125087668 CHEMBL1682859 ZINC66074551 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50624954 NCCCCN(Cc1cccc(N)n1)C1CCCc2cccnc12 InChI=1S/C19H27N5/c20-11-1-2-13-24(14-16-8-4-10-18(21)23-16)17-9-3-6-15-7-5-12-22-19(15)17/h4-5,7-8,10,12,17H,1-3,6,9,11,13-14,20H2,(H2,21,23) CNYCEOXPILIJJN-UHFFFAOYSA-N 50337567 CHEMBL1682860::rac-N1-(6-aminopyridin-2-ylmethyl)-N1-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine C-X-C chemokine receptor type 4 49 ChEMBL 10.1016/j.bmcl.2011.01.021 10.7270/Q2FT8M9F 21295470 Skerlj, R; Bridger, G; McEachern, E; Harwig, C; Smith, C; Kaller, A; Veale, D; Yee, H; Skupinska, K; Wauthy, R; Wang, L; Baird, I; Zhu, Y; Burrage, K; Yang, W; Sartori, M; Huskens, D; De Clercq, E; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50337567 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50337567&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 53318414 125087669 CHEMBL1682860 ZINC66074553 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50624955 COCc1cccc(CN(CCCCN)C2CCCc3cccnc23)n1 InChI=1S/C21H30N4O/c1-26-16-19-10-5-9-18(24-19)15-25(14-3-2-12-22)20-11-4-7-17-8-6-13-23-21(17)20/h5-6,8-10,13,20H,2-4,7,11-12,14-16,22H2,1H3 OCIHURYPYFZKKV-UHFFFAOYSA-N 50337568 CHEMBL1682861::rac-N1-((6-(methoxymethyl)pyridin-2-yl)methyl)-N1-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine C-X-C chemokine receptor type 4 1621 ChEMBL 10.1016/j.bmcl.2011.01.021 10.7270/Q2FT8M9F 21295470 Skerlj, R; Bridger, G; McEachern, E; Harwig, C; Smith, C; Kaller, A; Veale, D; Yee, H; Skupinska, K; Wauthy, R; Wang, L; Baird, I; Zhu, Y; Burrage, K; Yang, W; Sartori, M; Huskens, D; De Clercq, E; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50337568 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50337568&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 53326307 125087670 CHEMBL1682861 ZINC66065969 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50624956 NCCCCN(Cc1ncccc1O)C1CCCc2cccnc12 InChI=1S/C19H26N4O/c20-10-1-2-13-23(14-16-18(24)9-5-11-21-16)17-8-3-6-15-7-4-12-22-19(15)17/h4-5,7,9,11-12,17,24H,1-3,6,8,10,13-14,20H2 GERGOAXTCRQJLH-UHFFFAOYSA-N 50337569 CHEMBL1682862::rac-2-(((4-aminobutyl)(5,6,7,8-tetrahydroquinolin-8-yl)amino)methyl)pyridin-3-ol C-X-C chemokine receptor type 4 129 ChEMBL 10.1016/j.bmcl.2011.01.021 10.7270/Q2FT8M9F 21295470 Skerlj, R; Bridger, G; McEachern, E; Harwig, C; Smith, C; Kaller, A; Veale, D; Yee, H; Skupinska, K; Wauthy, R; Wang, L; Baird, I; Zhu, Y; Burrage, K; Yang, W; Sartori, M; Huskens, D; De Clercq, E; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50337569 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50337569&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 53326308 125087671 CHEMBL1682862 ZINC66073666 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50624957 NCCCCN(Cc1ncccc1N)C1CCCc2cccnc12 InChI=1S/C19H27N5/c20-10-1-2-13-24(14-17-16(21)8-5-11-22-17)18-9-3-6-15-7-4-12-23-19(15)18/h4-5,7-8,11-12,18H,1-3,6,9-10,13-14,20-21H2 MSZYGLCHDDNCLO-UHFFFAOYSA-N 50337570 CHEMBL1682863::rac-N1-(3-Aminopyridin-2-ylmethyl)-N1-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine C-X-C chemokine receptor type 4 27 ChEMBL 10.1016/j.bmcl.2011.01.021 10.7270/Q2FT8M9F 21295470 Skerlj, R; Bridger, G; McEachern, E; Harwig, C; Smith, C; Kaller, A; Veale, D; Yee, H; Skupinska, K; Wauthy, R; Wang, L; Baird, I; Zhu, Y; Burrage, K; Yang, W; Sartori, M; Huskens, D; De Clercq, E; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50337570 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50337570&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 53321040 125087672 CHEMBL1682863 ZINC66077022 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50624958 CC(C)c1cccnc1CN(CCCCN)C1CCCc2cccnc12 InChI=1S/C22H32N4/c1-17(2)19-10-7-13-24-20(19)16-26(15-4-3-12-23)21-11-5-8-18-9-6-14-25-22(18)21/h6-7,9-10,13-14,17,21H,3-5,8,11-12,15-16,23H2,1-2H3 BJSHYURXVFLUKD-UHFFFAOYSA-N 50337571 CHEMBL1682864::rac-N1-(3-isopropylpyridin-2-ylmethyl)-N1-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine C-X-C chemokine receptor type 4 63 ChEMBL 10.1016/j.bmcl.2011.01.021 10.7270/Q2FT8M9F 21295470 Skerlj, R; Bridger, G; McEachern, E; Harwig, C; Smith, C; Kaller, A; Veale, D; Yee, H; Skupinska, K; Wauthy, R; Wang, L; Baird, I; Zhu, Y; Burrage, K; Yang, W; Sartori, M; Huskens, D; De Clercq, E; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50337571 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50337571&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 53319746 125087673 CHEMBL1682864 ZINC66077027 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50624959 NCCCCN(Cc1ncccc1CO)C1CCCc2cccnc12 InChI=1S/C20H28N4O/c21-10-1-2-13-24(14-18-17(15-25)8-5-11-22-18)19-9-3-6-16-7-4-12-23-20(16)19/h4-5,7-8,11-12,19,25H,1-3,6,9-10,13-15,21H2 MQCSNBRPBJWQDO-UHFFFAOYSA-N 50337572 CHEMBL1682865::rac-(2-(((4-Aminobutyl)-(5,6,7,8-tetrahydroquinolin-8-yl)amino)methyl)pyridin-3-yl)methanol C-X-C chemokine receptor type 4 79 ChEMBL 10.1016/j.bmcl.2011.01.021 10.7270/Q2FT8M9F 21295470 Skerlj, R; Bridger, G; McEachern, E; Harwig, C; Smith, C; Kaller, A; Veale, D; Yee, H; Skupinska, K; Wauthy, R; Wang, L; Baird, I; Zhu, Y; Burrage, K; Yang, W; Sartori, M; Huskens, D; De Clercq, E; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50337572 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50337572&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 53321041 125087674 CHEMBL1682865 ZINC66077031 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50624960 NCCCCN(Cc1ncccc1Cl)C1CCCc2cccnc12 InChI=1S/C19H25ClN4/c20-16-8-5-11-22-17(16)14-24(13-2-1-10-21)18-9-3-6-15-7-4-12-23-19(15)18/h4-5,7-8,11-12,18H,1-3,6,9-10,13-14,21H2 FOWXMKVMFNLPCV-UHFFFAOYSA-N 50337573 CHEMBL1682866::racN1-(3-chloropyridin-2-ylmethyl)-N1-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine C-X-C chemokine receptor type 4 44 ChEMBL 10.1016/j.bmcl.2011.01.021 10.7270/Q2FT8M9F 21295470 Skerlj, R; Bridger, G; McEachern, E; Harwig, C; Smith, C; Kaller, A; Veale, D; Yee, H; Skupinska, K; Wauthy, R; Wang, L; Baird, I; Zhu, Y; Burrage, K; Yang, W; Sartori, M; Huskens, D; De Clercq, E; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50337573 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50337573&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 25177627 125087675 CHEMBL1682866 ZINC66077035 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50624961 CC(N(CCCCN)Cc1ncccc1C)c1ccccn1 InChI=1S/C18H26N4/c1-15-8-7-12-21-18(15)14-22(13-6-4-10-19)16(2)17-9-3-5-11-20-17/h3,5,7-9,11-12,16H,4,6,10,13-14,19H2,1-2H3 RBHWCOADLGGSPS-UHFFFAOYSA-N 50337574 CHEMBL1682986::racN1-(3-Methylpyridin-2-ylmethyl)-N1-(1-pyridin-2-ylethyl)butane-1,4-diamine C-X-C chemokine receptor type 4 23 ChEMBL 10.1016/j.bmcl.2011.01.021 10.7270/Q2FT8M9F 21295470 Skerlj, R; Bridger, G; McEachern, E; Harwig, C; Smith, C; Kaller, A; Veale, D; Yee, H; Skupinska, K; Wauthy, R; Wang, L; Baird, I; Zhu, Y; Burrage, K; Yang, W; Sartori, M; Huskens, D; De Clercq, E; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50337574 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50337574&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 25177628 125087676 CHEMBL1682986 ZINC66099160 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50624962 CC(N(CCCCN)Cc1ncccc1N)c1ccccn1 InChI=1S/C17H25N5/c1-14(16-8-2-4-10-20-16)22(12-5-3-9-18)13-17-15(19)7-6-11-21-17/h2,4,6-8,10-11,14H,3,5,9,12-13,18-19H2,1H3 XVDAHVVDMFIUIX-UHFFFAOYSA-N 50337575 CHEMBL1682987::rac-N1-((3-aminopyridin-2-yl)methyl)-N1-(1-(pyridin-2-yl)ethyl)butane-1,4-diamine C-X-C chemokine receptor type 4 72 ChEMBL 10.1016/j.bmcl.2011.01.021 10.7270/Q2FT8M9F 21295470 Skerlj, R; Bridger, G; McEachern, E; Harwig, C; Smith, C; Kaller, A; Veale, D; Yee, H; Skupinska, K; Wauthy, R; Wang, L; Baird, I; Zhu, Y; Burrage, K; Yang, W; Sartori, M; Huskens, D; De Clercq, E; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50337575 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50337575&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 25177632 125087677 CHEMBL1682987 ZINC66079674 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50624963 CC(N(CCCCN)Cc1ncccc1C(F)(F)F)c1ccccn1 InChI=1S/C18H23F3N4/c1-14(16-8-2-4-10-23-16)25(12-5-3-9-22)13-17-15(18(19,20)21)7-6-11-24-17/h2,4,6-8,10-11,14H,3,5,9,12-13,22H2,1H3 NXOVWJQOIFZYII-UHFFFAOYSA-N 50337576 CHEMBL1682988::rac-N1-(1-(pyridin-2-yl)ethyl)-N1-((3-(trifluoromethyl)pyridin-2-yl)methyl)butane-1,4-diamine C-X-C chemokine receptor type 4 111 ChEMBL 10.1016/j.bmcl.2011.01.021 10.7270/Q2FT8M9F 21295470 Skerlj, R; Bridger, G; McEachern, E; Harwig, C; Smith, C; Kaller, A; Veale, D; Yee, H; Skupinska, K; Wauthy, R; Wang, L; Baird, I; Zhu, Y; Burrage, K; Yang, W; Sartori, M; Huskens, D; De Clercq, E; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50337576 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50337576&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 53325442 125087678 CHEMBL1682988 ZINC66077631 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50624964 CC(N(CCCCN)Cc1ncccc1C(C)(C)C)c1ccccn1 InChI=1S/C21H32N4/c1-17(19-11-5-7-13-23-19)25(15-8-6-12-22)16-20-18(21(2,3)4)10-9-14-24-20/h5,7,9-11,13-14,17H,6,8,12,15-16,22H2,1-4H3 OSJFHDCHORASQE-UHFFFAOYSA-N 50337577 CHEMBL1682989::rac-N1-(3-iso-Butylpyridin-2-ylmethyl)-N1-(1-pyridin-2-ylethyl)butane-1,4-diamine C-X-C chemokine receptor type 4 18 ChEMBL 10.1016/j.bmcl.2011.01.021 10.7270/Q2FT8M9F 21295470 Skerlj, R; Bridger, G; McEachern, E; Harwig, C; Smith, C; Kaller, A; Veale, D; Yee, H; Skupinska, K; Wauthy, R; Wang, L; Baird, I; Zhu, Y; Burrage, K; Yang, W; Sartori, M; Huskens, D; De Clercq, E; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50337577 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50337577&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 53322799 125087679 CHEMBL1682989 ZINC66065977 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50624965 CC(N(CCCCN)Cc1ccc(C)cn1)c1ccccn1 InChI=1S/C18H26N4/c1-15-8-9-17(21-13-15)14-22(12-6-4-10-19)16(2)18-7-3-5-11-20-18/h3,5,7-9,11,13,16H,4,6,10,12,14,19H2,1-2H3 AXICYROIMBIUDV-UHFFFAOYSA-N 50337578 CHEMBL1682990::rac-N1-((5-methylpyridin-2-yl)methyl)-N1-(1-(pyridin-2-yl)ethyl)butane-1,4-diamine C-X-C chemokine receptor type 4 66 ChEMBL 10.1016/j.bmcl.2011.01.021 10.7270/Q2FT8M9F 21295470 Skerlj, R; Bridger, G; McEachern, E; Harwig, C; Smith, C; Kaller, A; Veale, D; Yee, H; Skupinska, K; Wauthy, R; Wang, L; Baird, I; Zhu, Y; Burrage, K; Yang, W; Sartori, M; Huskens, D; De Clercq, E; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50337578 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50337578&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 25177629 125087680 CHEMBL1682990 ZINC66075075 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50624966 CC(N(CCCCN)Cc1cccc(C)n1)c1ccccn1 InChI=1S/C18H26N4/c1-15-8-7-9-17(21-15)14-22(13-6-4-11-19)16(2)18-10-3-5-12-20-18/h3,5,7-10,12,16H,4,6,11,13-14,19H2,1-2H3 SGDUYJSKKAQEOP-UHFFFAOYSA-N 50337579 CHEMBL1682991::rac-N1-((6-methylpyridin-2-yl)methyl)-N1-(1-(pyridin-2-yl)ethyl)butane-1,4-diamine C-X-C chemokine receptor type 4 183 ChEMBL 10.1016/j.bmcl.2011.01.021 10.7270/Q2FT8M9F 21295470 Skerlj, R; Bridger, G; McEachern, E; Harwig, C; Smith, C; Kaller, A; Veale, D; Yee, H; Skupinska, K; Wauthy, R; Wang, L; Baird, I; Zhu, Y; Burrage, K; Yang, W; Sartori, M; Huskens, D; De Clercq, E; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50337579 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50337579&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 25177630 125087681 CHEMBL1682991 ZINC66065979 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50624967 CC(N(CCCCN)Cc1ncc(C)cc1C)c1ccccn1 InChI=1S/C19H28N4/c1-15-12-16(2)19(22-13-15)14-23(11-7-5-9-20)17(3)18-8-4-6-10-21-18/h4,6,8,10,12-13,17H,5,7,9,11,14,20H2,1-3H3 ZOSBGNJWLUKHGF-UHFFFAOYSA-N 50337580 CHEMBL1682992::rac-N1-(3,5-dimethylpyridin-2-ylmethyl)-N1-(1-pyridin-2-yl-ethyl)butane-1,4-diamine C-X-C chemokine receptor type 4 20 ChEMBL 10.1016/j.bmcl.2011.01.021 10.7270/Q2FT8M9F 21295470 Skerlj, R; Bridger, G; McEachern, E; Harwig, C; Smith, C; Kaller, A; Veale, D; Yee, H; Skupinska, K; Wauthy, R; Wang, L; Baird, I; Zhu, Y; Burrage, K; Yang, W; Sartori, M; Huskens, D; De Clercq, E; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50337580 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50337580&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 25177631 125087682 CHEMBL1682992 ZINC66065981 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50624968 CC(N(CCCCN)Cc1ncccc1C)c1cc(C)ccn1 InChI=1S/C19H28N4/c1-15-8-11-22-18(13-15)17(3)23(12-5-4-9-20)14-19-16(2)7-6-10-21-19/h6-8,10-11,13,17H,4-5,9,12,14,20H2,1-3H3 ODWVSSSPZXBJFJ-UHFFFAOYSA-N 50337581 CHEMBL1682993::rac-N1-(1-(4-Methylpyridin-2-yl)ethyl)-N1-(3-methylpyridin-2-yl)methyl)butane-1,4-diamine C-X-C chemokine receptor type 4 8 ChEMBL 10.1016/j.bmcl.2011.01.021 10.7270/Q2FT8M9F 21295470 Skerlj, R; Bridger, G; McEachern, E; Harwig, C; Smith, C; Kaller, A; Veale, D; Yee, H; Skupinska, K; Wauthy, R; Wang, L; Baird, I; Zhu, Y; Burrage, K; Yang, W; Sartori, M; Huskens, D; De Clercq, E; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50337581 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50337581&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 53324136 125087683 CHEMBL1682993 ZINC66079741 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50624969 Cc1cccc(CN(CCCCN)[C@H]2CCCc3cccnc23)n1 InChI=1S/C20H28N4/c1-16-7-4-10-18(23-16)15-24(14-3-2-12-21)19-11-5-8-17-9-6-13-22-20(17)19/h4,6-7,9-10,13,19H,2-3,5,8,11-12,14-15,21H2,1H3/t19-/m0/s1 DYNCUXHVLGCFAT-IBGZPJMESA-N 50337582 (S)-N1-((6-methylpyridin-2-yl)methyl)-N1-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine::CHEMBL1682994 C-X-C chemokine receptor type 4 96.1 ChEMBL 10.1016/j.bmcl.2011.01.021 10.7270/Q2FT8M9F 21295470 Skerlj, R; Bridger, G; McEachern, E; Harwig, C; Smith, C; Kaller, A; Veale, D; Yee, H; Skupinska, K; Wauthy, R; Wang, L; Baird, I; Zhu, Y; Burrage, K; Yang, W; Sartori, M; Huskens, D; De Clercq, E; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50337582 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50337582&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 51346844 125087684 CHEMBL1682994 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50624970 Cc1cnc(CN(CCCCN)[C@H]2CCCc3cccnc23)c(C)c1 InChI=1S/C21H30N4/c1-16-13-17(2)19(24-14-16)15-25(12-4-3-10-22)20-9-5-7-18-8-6-11-23-21(18)20/h6,8,11,13-14,20H,3-5,7,9-10,12,15,22H2,1-2H3/t20-/m0/s1 RWOKPEBGBZGDQJ-FQEVSTJZSA-N 50337583 (S)-N1-((3,5-dimethylpyridin-2-yl)methyl)-N1-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine::CHEMBL1682995 C-X-C chemokine receptor type 4 62.9 ChEMBL 10.1016/j.bmcl.2011.01.021 10.7270/Q2FT8M9F 21295470 Skerlj, R; Bridger, G; McEachern, E; Harwig, C; Smith, C; Kaller, A; Veale, D; Yee, H; Skupinska, K; Wauthy, R; Wang, L; Baird, I; Zhu, Y; Burrage, K; Yang, W; Sartori, M; Huskens, D; De Clercq, E; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50337583 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50337583&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 51346842 125087685 CHEMBL1682995 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50624971 NCCCCN(Cc1ncccc1N)[C@H]1CCCc2cccnc12 InChI=1S/C19H27N5/c20-10-1-2-13-24(14-17-16(21)8-5-11-22-17)18-9-3-6-15-7-4-12-23-19(15)18/h4-5,7-8,11-12,18H,1-3,6,9-10,13-14,20-21H2/t18-/m0/s1 MSZYGLCHDDNCLO-SFHVURJKSA-N 50337584 (S)-N1-((3-aminopyridin-2-yl)methyl)-N1-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine::CHEMBL1682996 C-X-C chemokine receptor type 4 10.9 ChEMBL 10.1016/j.bmcl.2011.01.021 10.7270/Q2FT8M9F 21295470 Skerlj, R; Bridger, G; McEachern, E; Harwig, C; Smith, C; Kaller, A; Veale, D; Yee, H; Skupinska, K; Wauthy, R; Wang, L; Baird, I; Zhu, Y; Burrage, K; Yang, W; Sartori, M; Huskens, D; De Clercq, E; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50337584 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50337584&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 51346852 125087686 CHEMBL1682996 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50624972 C[C@H](N(CCCCN)Cc1nc2ccccc2[nH]1)c1ccccn1 InChI=1S/C19H25N5/c1-15(16-8-4-6-12-21-16)24(13-7-5-11-20)14-19-22-17-9-2-3-10-18(17)23-19/h2-4,6,8-10,12,15H,5,7,11,13-14,20H2,1H3,(H,22,23)/t15-/m0/s1 OSZUXHNLRBBQOK-HNNXBMFYSA-N 50337585 (S)-N1-((1H-benzo[d]imidazol-2-yl)methyl)-N1-(1-(pyridin-2-yl)ethyl)butane-1,4-diamine::CHEMBL1682997 C-X-C chemokine receptor type 4 16.6 ChEMBL 10.1016/j.bmcl.2011.01.021 10.7270/Q2FT8M9F 21295470 Skerlj, R; Bridger, G; McEachern, E; Harwig, C; Smith, C; Kaller, A; Veale, D; Yee, H; Skupinska, K; Wauthy, R; Wang, L; Baird, I; Zhu, Y; Burrage, K; Yang, W; Sartori, M; Huskens, D; De Clercq, E; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50337585 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50337585&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 53322803 125087687 CHEMBL1682997 ZINC66077037 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50624973 C[C@H](N(CCCCN)Cc1ncccc1C)c1ccccn1 InChI=1S/C18H26N4/c1-15-8-7-12-21-18(15)14-22(13-6-4-10-19)16(2)17-9-3-5-11-20-17/h3,5,7-9,11-12,16H,4,6,10,13-14,19H2,1-2H3/t16-/m0/s1 RBHWCOADLGGSPS-INIZCTEOSA-N 50337586 (S)-N1-((3-methylpyridin-2-yl)methyl)-N1-(1-(pyridin-2-yl)ethyl)butane-1,4-diamine::CHEMBL1682998 C-X-C chemokine receptor type 4 35.8 ChEMBL 10.1016/j.bmcl.2011.01.021 10.7270/Q2FT8M9F 21295470 Skerlj, R; Bridger, G; McEachern, E; Harwig, C; Smith, C; Kaller, A; Veale, D; Yee, H; Skupinska, K; Wauthy, R; Wang, L; Baird, I; Zhu, Y; Burrage, K; Yang, W; Sartori, M; Huskens, D; De Clercq, E; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50337586 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50337586&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 53321478 125087688 CHEMBL1682998 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50615847 NCc1cc(ccc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc12)C(N)=O InChI=1S/C26H28N6O/c27-14-20-13-18(26(28)33)10-11-19(20)15-32(16-24-30-21-7-1-2-8-22(21)31-24)23-9-3-5-17-6-4-12-29-25(17)23/h1-2,4,6-8,10-13,23H,3,5,9,14-16,27H2,(H2,28,33)(H,30,31) VLCQJPKCYCQUAO-UHFFFAOYSA-N 50333881 4-((((1H-benzo[d]imidazol-2-yl)methyl)(5,6,7,8-tetrahydroquinolin-8-yl)amino)methyl)-3-(aminomethyl)benzamide::CHEMBL1644078 C-X-C chemokine receptor type 4 15 ChEMBL 10.1016/j.bmcl.2010.11.023 10.7270/Q21N81D9 21109432 Skerlj, R; Bridger, G; McEachern, E; Harwig, C; Smith, C; Wilson, T; Veale, D; Yee, H; Crawford, J; Skupinska, K; Wauthy, R; Yang, W; Zhu, Y; Bogucki, D; Di Fluri, M; Langille, J; Huskens, D; De Clercq, E; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50333881 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50333881&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 21985015 125083983 CHEMBL1644078 ZINC66100360 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50615848 CO\N=C\c1ccc(CN(Cc2nc3ccccc3[nH]2)C2CCCc3cccnc23)c(CN)c1 InChI=1S/C27H30N6O/c1-34-30-16-19-11-12-21(22(14-19)15-28)17-33(18-26-31-23-8-2-3-9-24(23)32-26)25-10-4-6-20-7-5-13-29-27(20)25/h2-3,5,7-9,11-14,16,25H,4,6,10,15,17-18,28H2,1H3,(H,31,32)/b30-16+ PAQDNLNFPXANND-OKCVXOCRSA-N 50333882 4-((((1H-benzo[d]imidazol-2-yl)methyl)(5,6,7,8-tetrahydroquinolin-8-yl)amino)methyl)-3-(aminomethyl)benzaldehyde O-methyl oxime::CHEMBL1644079 C-X-C chemokine receptor type 4 5 ChEMBL 10.1016/j.bmcl.2010.11.023 10.7270/Q21N81D9 21109432 Skerlj, R; Bridger, G; McEachern, E; Harwig, C; Smith, C; Wilson, T; Veale, D; Yee, H; Crawford, J; Skupinska, K; Wauthy, R; Yang, W; Zhu, Y; Bogucki, D; Di Fluri, M; Langille, J; Huskens, D; De Clercq, E; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50333882 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50333882&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 53316607 125083984 CHEMBL1644079 ZINC66101098 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50615849 NCc1ncccc1CN(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc12 InChI=1S/C24H26N6/c25-14-21-18(8-5-12-26-21)15-30(16-23-28-19-9-1-2-10-20(19)29-23)22-11-3-6-17-7-4-13-27-24(17)22/h1-2,4-5,7-10,12-13,22H,3,6,11,14-16,25H2,(H,28,29)/t22-/m0/s1 QATMEWFFUSRNQT-QFIPXVFZSA-N 50333883 (S)-N-((1H-benzo[d]imidazol-2-yl)methyl)-N-((2-(aminomethyl)pyridin-3-yl)methyl)-5,6,7,8-tetrahydroquinolin-8-amine::CHEMBL1644080 C-X-C chemokine receptor type 4 19.8 ChEMBL 10.1016/j.bmcl.2010.11.023 10.7270/Q21N81D9 21109432 Skerlj, R; Bridger, G; McEachern, E; Harwig, C; Smith, C; Wilson, T; Veale, D; Yee, H; Crawford, J; Skupinska, K; Wauthy, R; Yang, W; Zhu, Y; Bogucki, D; Di Fluri, M; Langille, J; Huskens, D; De Clercq, E; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50333883 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50333883&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 50942117 125083985 CHEMBL1644080 ZINC66058823 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50615850 NCc1cscc1N(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc12 InChI=1S/C22H23N5S/c23-11-16-13-28-14-20(16)27(12-21-25-17-7-1-2-8-18(17)26-21)19-9-3-5-15-6-4-10-24-22(15)19/h1-2,4,6-8,10,13-14,19H,3,5,9,11-12,23H2,(H,25,26)/t19-/m0/s1 QIBXOVRDBODCRT-IBGZPJMESA-N 50333884 (S)-N-((1H-benzo[d]imidazol-2-yl)methyl)-N-(4-(aminomethyl)thiophen-3-yl)-5,6,7,8-tetrahydroquinolin-8-amine::CHEMBL1644081 C-X-C chemokine receptor type 4 88.9 ChEMBL 10.1016/j.bmcl.2010.11.023 10.7270/Q21N81D9 21109432 Skerlj, R; Bridger, G; McEachern, E; Harwig, C; Smith, C; Wilson, T; Veale, D; Yee, H; Crawford, J; Skupinska, K; Wauthy, R; Yang, W; Zhu, Y; Bogucki, D; Di Fluri, M; Langille, J; Huskens, D; De Clercq, E; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50333884 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50333884&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 53320547 125083986 CHEMBL1644081 ZINC66058825 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50615851 NCc1cocc1N(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc12 InChI=1S/C22H23N5O/c23-11-16-13-28-14-20(16)27(12-21-25-17-7-1-2-8-18(17)26-21)19-9-3-5-15-6-4-10-24-22(15)19/h1-2,4,6-8,10,13-14,19H,3,5,9,11-12,23H2,(H,25,26)/t19-/m0/s1 ZYRYBBGMNLVUJU-IBGZPJMESA-N 50333885 (S)-N-((1H-benzo[d]imidazol-2-yl)methyl)-N-(4-(aminomethyl)furan-3-yl)-5,6,7,8-tetrahydroquinolin-8-amine::CHEMBL1644082 C-X-C chemokine receptor type 4 44.5 ChEMBL 10.1016/j.bmcl.2010.11.023 10.7270/Q21N81D9 21109432 Skerlj, R; Bridger, G; McEachern, E; Harwig, C; Smith, C; Wilson, T; Veale, D; Yee, H; Crawford, J; Skupinska, K; Wauthy, R; Yang, W; Zhu, Y; Bogucki, D; Di Fluri, M; Langille, J; Huskens, D; De Clercq, E; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50333885 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50333885&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 50942118 125083987 CHEMBL1644082 ZINC66103200 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50615852 NCc1ncccc1CN(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc12 InChI=1S/C24H26N6/c25-14-21-18(8-5-12-26-21)15-30(16-23-28-19-9-1-2-10-20(19)29-23)22-11-3-6-17-7-4-13-27-24(17)22/h1-2,4-5,7-10,12-13,22H,3,6,11,14-16,25H2,(H,28,29)/t22-/m0/s1 QATMEWFFUSRNQT-QFIPXVFZSA-N 50333883 (S)-N-((1H-benzo[d]imidazol-2-yl)methyl)-N-((2-(aminomethyl)pyridin-3-yl)methyl)-5,6,7,8-tetrahydroquinolin-8-amine::CHEMBL1644080 C-X-C chemokine receptor type 4 21 ChEMBL 10.1016/j.bmcl.2010.11.023 10.7270/Q21N81D9 21109432 Skerlj, R; Bridger, G; McEachern, E; Harwig, C; Smith, C; Wilson, T; Veale, D; Yee, H; Crawford, J; Skupinska, K; Wauthy, R; Yang, W; Zhu, Y; Bogucki, D; Di Fluri, M; Langille, J; Huskens, D; De Clercq, E; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50333883 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50333883&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 50942117 125083985 CHEMBL1644080 ZINC66058823 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50615853 NCc1ccncc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc12 InChI=1S/C24H26N6/c25-13-18-10-12-26-14-19(18)15-30(16-23-28-20-7-1-2-8-21(20)29-23)22-9-3-5-17-6-4-11-27-24(17)22/h1-2,4,6-8,10-12,14,22H,3,5,9,13,15-16,25H2,(H,28,29) JKNFQSCHMHWAQV-UHFFFAOYSA-N 50333886 CHEMBL1644083::N-((1H-benzo[d]imidazol-2-yl)methyl)-N-((4-(aminomethyl)pyridin-3-yl)methyl)-5,6,7,8-tetrahydroquinolin-8-amine C-X-C chemokine receptor type 4 160 ChEMBL 10.1016/j.bmcl.2010.11.023 10.7270/Q21N81D9 21109432 Skerlj, R; Bridger, G; McEachern, E; Harwig, C; Smith, C; Wilson, T; Veale, D; Yee, H; Crawford, J; Skupinska, K; Wauthy, R; Yang, W; Zhu, Y; Bogucki, D; Di Fluri, M; Langille, J; Huskens, D; De Clercq, E; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50333886 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50333886&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 21985119 125083988 CHEMBL1644083 ZINC66103203 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50615854 NCc1sccc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc12 InChI=1S/C23H25N5S/c24-13-21-17(10-12-29-21)14-28(15-22-26-18-7-1-2-8-19(18)27-22)20-9-3-5-16-6-4-11-25-23(16)20/h1-2,4,6-8,10-12,20H,3,5,9,13-15,24H2,(H,26,27) RDECLHUZVIIRRM-UHFFFAOYSA-N 50333887 CHEMBL1644085::N-((1H-benzo[d]imidazol-2-yl)methyl)-N-((2-(aminomethyl)thiophen-3-yl)methyl)-5,6,7,8-tetrahydroquinolin-8-amine C-X-C chemokine receptor type 4 60 ChEMBL 10.1016/j.bmcl.2010.11.023 10.7270/Q21N81D9 21109432 Skerlj, R; Bridger, G; McEachern, E; Harwig, C; Smith, C; Wilson, T; Veale, D; Yee, H; Crawford, J; Skupinska, K; Wauthy, R; Yang, W; Zhu, Y; Bogucki, D; Di Fluri, M; Langille, J; Huskens, D; De Clercq, E; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50333887 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50333887&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 53319240 125083989 CHEMBL1644085 ZINC66100979 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50615855 NCc1cscc1N(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc12 InChI=1S/C22H23N5S/c23-11-16-13-28-14-20(16)27(12-21-25-17-7-1-2-8-18(17)26-21)19-9-3-5-15-6-4-10-24-22(15)19/h1-2,4,6-8,10,13-14,19H,3,5,9,11-12,23H2,(H,25,26)/t19-/m0/s1 QIBXOVRDBODCRT-IBGZPJMESA-N 50333884 (S)-N-((1H-benzo[d]imidazol-2-yl)methyl)-N-(4-(aminomethyl)thiophen-3-yl)-5,6,7,8-tetrahydroquinolin-8-amine::CHEMBL1644081 C-X-C chemokine receptor type 4 13 ChEMBL 10.1016/j.bmcl.2010.11.023 10.7270/Q21N81D9 21109432 Skerlj, R; Bridger, G; McEachern, E; Harwig, C; Smith, C; Wilson, T; Veale, D; Yee, H; Crawford, J; Skupinska, K; Wauthy, R; Yang, W; Zhu, Y; Bogucki, D; Di Fluri, M; Langille, J; Huskens, D; De Clercq, E; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50333884 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50333884&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 53320547 125083986 CHEMBL1644081 ZINC66058825 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50615856 NCc1cocc1N(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc12 InChI=1S/C22H23N5O/c23-11-16-13-28-14-20(16)27(12-21-25-17-7-1-2-8-18(17)26-21)19-9-3-5-15-6-4-10-24-22(15)19/h1-2,4,6-8,10,13-14,19H,3,5,9,11-12,23H2,(H,25,26)/t19-/m0/s1 ZYRYBBGMNLVUJU-IBGZPJMESA-N 50333885 (S)-N-((1H-benzo[d]imidazol-2-yl)methyl)-N-(4-(aminomethyl)furan-3-yl)-5,6,7,8-tetrahydroquinolin-8-amine::CHEMBL1644082 C-X-C chemokine receptor type 4 25 ChEMBL 10.1016/j.bmcl.2010.11.023 10.7270/Q21N81D9 21109432 Skerlj, R; Bridger, G; McEachern, E; Harwig, C; Smith, C; Wilson, T; Veale, D; Yee, H; Crawford, J; Skupinska, K; Wauthy, R; Yang, W; Zhu, Y; Bogucki, D; Di Fluri, M; Langille, J; Huskens, D; De Clercq, E; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50333885 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50333885&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 50942118 125083987 CHEMBL1644082 ZINC66103200 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50615857 NCc1ccoc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc12 InChI=1S/C23H25N5O/c24-13-17-10-12-29-21(17)14-28(15-22-26-18-7-1-2-8-19(18)27-22)20-9-3-5-16-6-4-11-25-23(16)20/h1-2,4,6-8,10-12,20H,3,5,9,13-15,24H2,(H,26,27) WZCODHDIGWESMW-UHFFFAOYSA-N 50333888 CHEMBL1644088::N-((1H-benzo[d]imidazol-2-yl)methyl)-N-((3-(aminomethyl)furan-2-yl)methyl)-5,6,7,8-tetrahydroquinolin-8-amine C-X-C chemokine receptor type 4 12 ChEMBL 10.1016/j.bmcl.2010.11.023 10.7270/Q21N81D9 21109432 Skerlj, R; Bridger, G; McEachern, E; Harwig, C; Smith, C; Wilson, T; Veale, D; Yee, H; Crawford, J; Skupinska, K; Wauthy, R; Yang, W; Zhu, Y; Bogucki, D; Di Fluri, M; Langille, J; Huskens, D; De Clercq, E; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50333888 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50333888&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 53325426 125083990 CHEMBL1644088 ZINC66101752 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50615858 NCc1occc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc12 InChI=1S/C23H25N5O/c24-13-21-17(10-12-29-21)14-28(15-22-26-18-7-1-2-8-19(18)27-22)20-9-3-5-16-6-4-11-25-23(16)20/h1-2,4,6-8,10-12,20H,3,5,9,13-15,24H2,(H,26,27) GIRXCLXKZAXSDM-UHFFFAOYSA-N 50333889 CHEMBL1644089::N-((1H-benzo[d]imidazol-2-yl)methyl)-N-((2-(aminomethyl)furan-3-yl)methyl)-5,6,7,8-tetrahydroquinolin-8-amine C-X-C chemokine receptor type 4 21 ChEMBL 10.1016/j.bmcl.2010.11.023 10.7270/Q21N81D9 21109432 Skerlj, R; Bridger, G; McEachern, E; Harwig, C; Smith, C; Wilson, T; Veale, D; Yee, H; Crawford, J; Skupinska, K; Wauthy, R; Yang, W; Zhu, Y; Bogucki, D; Di Fluri, M; Langille, J; Huskens, D; De Clercq, E; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50333889 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50333889&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 53321859 125083991 CHEMBL1644089 ZINC66264058 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50615859 NCc1ncoc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc12 InChI=1S/C22H24N6O/c23-11-18-20(29-14-25-18)12-28(13-21-26-16-7-1-2-8-17(16)27-21)19-9-3-5-15-6-4-10-24-22(15)19/h1-2,4,6-8,10,14,19H,3,5,9,11-13,23H2,(H,26,27) RWGSANVCGKAHII-UHFFFAOYSA-N 50333890 CHEMBL1644092::N-((1H-benzo[d]imidazol-2-yl)methyl)-N-((4-(aminomethyl)oxazol-5-yl)methyl)-5,6,7,8-tetrahydroquinolin-8-amine C-X-C chemokine receptor type 4 1.3 ChEMBL 10.1016/j.bmcl.2010.11.023 10.7270/Q21N81D9 21109432 Skerlj, R; Bridger, G; McEachern, E; Harwig, C; Smith, C; Wilson, T; Veale, D; Yee, H; Crawford, J; Skupinska, K; Wauthy, R; Yang, W; Zhu, Y; Bogucki, D; Di Fluri, M; Langille, J; Huskens, D; De Clercq, E; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50333890 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50333890&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 53323182 125083992 CHEMBL1644092 ZINC66058819 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50615860 NCc1ccccc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc12 InChI=1S/C25H27N5/c26-15-19-7-1-2-8-20(19)16-30(17-24-28-21-11-3-4-12-22(21)29-24)23-13-5-9-18-10-6-14-27-25(18)23/h1-4,6-8,10-12,14,23H,5,9,13,15-17,26H2,(H,28,29) KOUKIXMZFKLIHI-UHFFFAOYSA-N 50315290 CHEMBL1093008::N-[(1H-Benzo[d]midazol-2-yl)methyl]-N-(2-(aminomethyl)benzyl)-5,6,7,8-tetrahydroquinolin-8-amine C-X-C chemokine receptor type 4 28 ChEMBL 10.1016/j.bmcl.2010.11.023 10.7270/Q21N81D9 21109432 Skerlj, R; Bridger, G; McEachern, E; Harwig, C; Smith, C; Wilson, T; Veale, D; Yee, H; Crawford, J; Skupinska, K; Wauthy, R; Yang, W; Zhu, Y; Bogucki, D; Di Fluri, M; Langille, J; Huskens, D; De Clercq, E; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315290 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315290&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 21984983 104149651 CHEMBL1093008 ZINC49071506 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50615861 NCc1cc(F)ccc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc12 InChI=1S/C25H26FN5/c26-20-11-10-18(19(13-20)14-27)15-31(16-24-29-21-7-1-2-8-22(21)30-24)23-9-3-5-17-6-4-12-28-25(17)23/h1-2,4,6-8,10-13,23H,3,5,9,14-16,27H2,(H,29,30) PFCYJHBCDYNXAM-UHFFFAOYSA-N 50333891 CHEMBL1644070::N-((1H-benzo[d]imidazol-2-yl)methyl)-N-(2-(aminomethyl)-4-fluorobenzyl)-5,6,7,8-tetrahydroquinolin-8-amine C-X-C chemokine receptor type 4 219 ChEMBL 10.1016/j.bmcl.2010.11.023 10.7270/Q21N81D9 21109432 Skerlj, R; Bridger, G; McEachern, E; Harwig, C; Smith, C; Wilson, T; Veale, D; Yee, H; Crawford, J; Skupinska, K; Wauthy, R; Yang, W; Zhu, Y; Bogucki, D; Di Fluri, M; Langille, J; Huskens, D; De Clercq, E; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50333891 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50333891&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 21984993 125083993 CHEMBL1644070 ZINC66102053 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50615862 NCc1cc(ccc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc12)C(F)(F)F InChI=1S/C26H26F3N5/c27-26(28,29)20-11-10-18(19(13-20)14-30)15-34(16-24-32-21-7-1-2-8-22(21)33-24)23-9-3-5-17-6-4-12-31-25(17)23/h1-2,4,6-8,10-13,23H,3,5,9,14-16,30H2,(H,32,33) FTSHHFSPOMIXMM-UHFFFAOYSA-N 50333892 CHEMBL1644071::N-((1H-benzo[d]imidazol-2-yl)methyl)-N-(2-(aminomethyl)-4-(trifluoromethyl)benzyl)-5,6,7,8-tetrahydroquinolin-8-amine C-X-C chemokine receptor type 4 51 ChEMBL 10.1016/j.bmcl.2010.11.023 10.7270/Q21N81D9 21109432 Skerlj, R; Bridger, G; McEachern, E; Harwig, C; Smith, C; Wilson, T; Veale, D; Yee, H; Crawford, J; Skupinska, K; Wauthy, R; Yang, W; Zhu, Y; Bogucki, D; Di Fluri, M; Langille, J; Huskens, D; De Clercq, E; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50333892 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50333892&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 21985149 125083994 CHEMBL1644071 ZINC66102057 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50615863 COc1ccc(CN(Cc2nc3ccccc3[nH]2)C2CCCc3cccnc23)c(CN)c1 InChI=1S/C26H29N5O/c1-32-21-12-11-19(20(14-21)15-27)16-31(17-25-29-22-8-2-3-9-23(22)30-25)24-10-4-6-18-7-5-13-28-26(18)24/h2-3,5,7-9,11-14,24H,4,6,10,15-17,27H2,1H3,(H,29,30) HJJHPNDUMFXUSH-UHFFFAOYSA-N 50333893 CHEMBL1644072::N-((1H-benzo[d]imidazol-2-yl)methyl)-N-(2-(aminomethyl)-4-methoxybenzyl)-5,6,7,8-tetrahydroquinolin-8-amine C-X-C chemokine receptor type 4 5 ChEMBL 10.1016/j.bmcl.2010.11.023 10.7270/Q21N81D9 21109432 Skerlj, R; Bridger, G; McEachern, E; Harwig, C; Smith, C; Wilson, T; Veale, D; Yee, H; Crawford, J; Skupinska, K; Wauthy, R; Yang, W; Zhu, Y; Bogucki, D; Di Fluri, M; Langille, J; Huskens, D; De Clercq, E; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50333893 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50333893&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 53320374 125083995 CHEMBL1644072 ZINC66102062 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50615864 NCc1ccc(CN(Cc2nc3ccccc3[nH]2)C2CCCc3cccnc23)c(CN)c1 InChI=1S/C26H30N6/c27-14-18-10-11-20(21(13-18)15-28)16-32(17-25-30-22-7-1-2-8-23(22)31-25)24-9-3-5-19-6-4-12-29-26(19)24/h1-2,4,6-8,10-13,24H,3,5,9,14-17,27-28H2,(H,30,31) MAJZBHXGPRNRPK-UHFFFAOYSA-N 50333894 CHEMBL1644073::[4-((((1H-benzo[d]imidazol-2-yl)methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino)methyl-1,3-phenylene]diamethanamine C-X-C chemokine receptor type 4 10 ChEMBL 10.1016/j.bmcl.2010.11.023 10.7270/Q21N81D9 21109432 Skerlj, R; Bridger, G; McEachern, E; Harwig, C; Smith, C; Wilson, T; Veale, D; Yee, H; Crawford, J; Skupinska, K; Wauthy, R; Yang, W; Zhu, Y; Bogucki, D; Di Fluri, M; Langille, J; Huskens, D; De Clercq, E; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50333894 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50333894&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 21985038 125083996 CHEMBL1644073 ZINC66102066 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50615865 NCc1cc(CO)ccc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc12 InChI=1S/C26H29N5O/c27-14-21-13-18(17-32)10-11-20(21)15-31(16-25-29-22-7-1-2-8-23(22)30-25)24-9-3-5-19-6-4-12-28-26(19)24/h1-2,4,6-8,10-13,24,32H,3,5,9,14-17,27H2,(H,29,30) DCHBCRXYTVDVHS-UHFFFAOYSA-N 50333895 CHEMBL1644074::[4-((((1H-benzo[d]imidazol-2-yl)methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl)-3-aminomethyl)phenyl]methanol C-X-C chemokine receptor type 4 11 ChEMBL 10.1016/j.bmcl.2010.11.023 10.7270/Q21N81D9 21109432 Skerlj, R; Bridger, G; McEachern, E; Harwig, C; Smith, C; Wilson, T; Veale, D; Yee, H; Crawford, J; Skupinska, K; Wauthy, R; Yang, W; Zhu, Y; Bogucki, D; Di Fluri, M; Langille, J; Huskens, D; De Clercq, E; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50333895 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50333895&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 21985074 125083997 CHEMBL1644074 ZINC66102070 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50615866 COCc1ccc(CN(Cc2nc3ccccc3[nH]2)C2CCCc3cccnc23)c(CN)c1 InChI=1S/C27H31N5O/c1-33-18-19-11-12-21(22(14-19)15-28)16-32(17-26-30-23-8-2-3-9-24(23)31-26)25-10-4-6-20-7-5-13-29-27(20)25/h2-3,5,7-9,11-14,25H,4,6,10,15-18,28H2,1H3,(H,30,31) HTTYROVIMQHHGU-UHFFFAOYSA-N 50333896 CHEMBL1644075::N-((1H-benzo[d]imidazol-2-yl)methyl-N-(2-(aminomethyl)-4-(methoxymethyl)benzyl)-5,6,7,8-tetrahydroquinolin-8-amine C-X-C chemokine receptor type 4 21 ChEMBL 10.1016/j.bmcl.2010.11.023 10.7270/Q21N81D9 21109432 Skerlj, R; Bridger, G; McEachern, E; Harwig, C; Smith, C; Wilson, T; Veale, D; Yee, H; Crawford, J; Skupinska, K; Wauthy, R; Yang, W; Zhu, Y; Bogucki, D; Di Fluri, M; Langille, J; Huskens, D; De Clercq, E; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50333896 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50333896&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 21985109 125083998 CHEMBL1644075 ZINC66112315 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50615867 NCc1cc(ccc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc12)C(O)=O InChI=1S/C26H27N5O2/c27-14-20-13-18(26(32)33)10-11-19(20)15-31(16-24-29-21-7-1-2-8-22(21)30-24)23-9-3-5-17-6-4-12-28-25(17)23/h1-2,4,6-8,10-13,23H,3,5,9,14-16,27H2,(H,29,30)(H,32,33) WYZPIVWJYBMBAN-UHFFFAOYSA-N 50333897 4-((((1H-benzo[d]imidazole-2-yl)methyl)(5,6,7,8-tetrahydroquinolin-8-yl)amino)methyl)-3-(aminomethyl)benzoic acid::CHEMBL1644076 C-X-C chemokine receptor type 4 126 ChEMBL 10.1016/j.bmcl.2010.11.023 10.7270/Q21N81D9 21109432 Skerlj, R; Bridger, G; McEachern, E; Harwig, C; Smith, C; Wilson, T; Veale, D; Yee, H; Crawford, J; Skupinska, K; Wauthy, R; Yang, W; Zhu, Y; Bogucki, D; Di Fluri, M; Langille, J; Huskens, D; De Clercq, E; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50333897 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50333897&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 21984997 125083999 CHEMBL1644076 ZINC66100352 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50615868 COC(=O)c1ccc(CN(Cc2nc3ccccc3[nH]2)C2CCCc3cccnc23)c(CN)c1 InChI=1S/C27H29N5O2/c1-34-27(33)19-11-12-20(21(14-19)15-28)16-32(17-25-30-22-8-2-3-9-23(22)31-25)24-10-4-6-18-7-5-13-29-26(18)24/h2-3,5,7-9,11-14,24H,4,6,10,15-17,28H2,1H3,(H,30,31) HDKXIWYHUZPVLC-UHFFFAOYSA-N 50333898 CHEMBL1644077::Methyl-4-((((1H-benzo[d]imidazol-2-yl)methyl)(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl-3-(aminomethyl)benzoate C-X-C chemokine receptor type 4 39 ChEMBL 10.1016/j.bmcl.2010.11.023 10.7270/Q21N81D9 21109432 Skerlj, R; Bridger, G; McEachern, E; Harwig, C; Smith, C; Wilson, T; Veale, D; Yee, H; Crawford, J; Skupinska, K; Wauthy, R; Yang, W; Zhu, Y; Bogucki, D; Di Fluri, M; Langille, J; Huskens, D; De Clercq, E; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50333898 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50333898&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 20725627 125084000 CHEMBL1644077 ZINC66100356 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50619873 C(N1CCCNCCNCCCNCC1)c1ccc(CN2CCCNCCNCCCNCC2)cc1 InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2 YIQPUIGJQJDJOS-UHFFFAOYSA-N 50035696 1,1''-{1,4-phenylenebis(methylene)}-bis{1,4,8,11-tetraaza-cyclotetradecane}::1,4,8,11-tetraazacyclotetradecanyl[4-(1,4,8,11-tetraazacyclotetradecanylmethyl)phenyl]methane::1,4,8,11-tetraazacyclotetradecanyl[4-(1,4,8,11-tetraazacyclotetradecanylmethyl)phenyl]methane(8HBr.2H2O)::1,4-bis((1,4,8,11-tetraazacyclotetradecan-1-yl)methyl)benzene::11''-xylyl bis-1,4,8,11-tetraazacyclotetradecane::11-{4-[4,8, 11-1,4,8,11tetraaza-cyclotetradec-1-ylmethyl]-benzyl}-1,4,8,11tetraaza-cyclotetradecane-1,4,8-tricarboxylic acid tri-tert-butyl ester::AMD-3100::CHEMBL18442::CHEMBL2311089::PLERIXAFOR::PLERIXAFOR OCTAHYDROCHLORIDE::US9205085, MSX-162 C-X-C chemokine receptor type 4 289.1 ChEMBL 10.1128/AAC.01727-08 10.7270/Q2GF0TR7 19451305 Murakami, T; Kumakura, S; Yamazaki, T; Tanaka, R; Hamatake, M; Okuma, K; Huang, W; Toma, J; Komano, J; Yanaka, M; Tanaka, Y; Yamamoto, N National Institute of Infectious Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50035696 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50035696&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 65015 103943663 CHEMBL2311089CHEMBL18442 DB06809 844 ZINC22443609 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50647526 Fc1cnc(Cl)nc1NCc1ccc(CNc2ccnc(NCCN3CCOCC3)n2)cc1 InChI=1S/C22H26ClFN8O/c23-21-29-15-18(24)20(31-21)28-14-17-3-1-16(2-4-17)13-27-19-5-6-25-22(30-19)26-7-8-32-9-11-33-12-10-32/h1-6,15H,7-14H2,(H,28,29,31)(H2,25,26,27,30) GYIWMFHGPQGUIL-UHFFFAOYSA-N 50347490 CHEMBL1802333 C-X-C chemokine receptor type 4 0.8 ChEMBL 10.1021/jm100786g 10.7270/Q2PK0GH6 21105715 Zhu, A; Zhan, W; Liang, Z; Yoon, Y; Yang, H; Grossniklaus, HE; Xu, J; Rojas, M; Lockwood, M; Snyder, JP; Liotta, DC; Shim, H Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50347490 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50347490&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 49857283 136354176 CHEMBL1802333 ZINC72108127 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50647527 CCOCCN1CCN(CC1)C(=O)c1cnc(NCc2ccc(CNc3ncc(F)cn3)cc2)nc1C(F)(F)F InChI=1S/C26H30F4N8O2/c1-2-40-12-11-37-7-9-38(10-8-37)23(39)21-17-35-25(36-22(21)26(28,29)30)32-14-19-5-3-18(4-6-19)13-31-24-33-15-20(27)16-34-24/h3-6,15-17H,2,7-14H2,1H3,(H,31,33,34)(H,32,35,36) HKDAUWBQNJQYOP-UHFFFAOYSA-N 50347491 CHEMBL1802329 C-X-C chemokine receptor type 4 5.4 ChEMBL 10.1021/jm100786g 10.7270/Q2PK0GH6 21105715 Zhu, A; Zhan, W; Liang, Z; Yoon, Y; Yang, H; Grossniklaus, HE; Xu, J; Rojas, M; Lockwood, M; Snyder, JP; Liotta, DC; Shim, H Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50347491 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50347491&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 23653628 136354177 CHEMBL1802329 ZINC72109814 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50647528 C(Nc1ccccn1)c1ccc(CNc2ccccn2)cc1 InChI=1S/C18H18N4/c1-3-11-19-17(5-1)21-13-15-7-9-16(10-8-15)14-22-18-6-2-4-12-20-18/h1-12H,13-14H2,(H,19,21)(H,20,22) KBVFRXIGQQRMEF-UHFFFAOYSA-N 50225415 CHEMBL237830::N,N'-di-2-pyridinyl-1,4-benzenedimethanamine::US9205085, MSX- 121::WZ-811 C-X-C chemokine receptor type 4 1.8 ChEMBL 10.1021/jm100786g 10.7270/Q2PK0GH6 21105715 Zhu, A; Zhan, W; Liang, Z; Yoon, Y; Yang, H; Grossniklaus, HE; Xu, J; Rojas, M; Lockwood, M; Snyder, JP; Liotta, DC; Shim, H Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50225415 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50225415&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 11565518 104096721 CHEMBL237830 ZINC28863086 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50653319 CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(O)=O)cc2)CC1)[C@H](O)C1CCCCC1 InChI=1S/C33H43N3O6/c1-2-3-19-36-30(38)28(29(37)24-7-5-4-6-8-24)34-32(41)33(36)17-20-35(21-18-33)22-23-9-13-26(14-10-23)42-27-15-11-25(12-16-27)31(39)40/h9-16,24,28-29,37H,2-8,17-22H2,1H3,(H,34,41)(H,39,40)/t28-,29-/m1/s1 GWNOTCOIYUNTQP-FQLXRVMXSA-N 50336345 4-(4-(((R)-1-butyl-3-((R)-cyclohexyl(hydroxy)methyl)-2,5-dioxo-1,4,9-triazaspiro[5.5]undecan-9-yl)methyl)phenoxy)benzoic acid hydrochloride::APLAVIROC::CHEMBL1668019 C-X-C chemokine receptor type 4 30000 ChEMBL 10.1016/j.bmc.2011.05.022 10.7270/Q2H70G5Q 21658961 Nishizawa, R; Nishiyama, T; Hisaichi, K; Minamoto, C; Murota, M; Takaoka, Y; Nakai, H; Tada, H; Sagawa, K; Shibayama, S; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50336345 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50336345&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 3001322 125086447 CHEMBL1668019 C03491 ZINC03990418 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50732975 NCCCC[C@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCCN)NC1=O)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCNC(N)=O)c1ccc2ccccc2c1 InChI=1S/C89H137N31O20S2/c90-35-5-3-17-57-73(126)113-62(18-4-6-36-91)82(135)120-43-13-24-68(120)80(133)116-65(45-50-27-33-55(122)34-28-50)77(130)112-59(21-10-41-106-88(100)139)72(125)110-60(22-11-42-107-89(101)140)74(127)117-66(78(131)114-63(83(136)137)23-12-39-104-86(97)98)47-141-142-48-67(79(132)115-64(44-49-25-31-54(121)32-26-49)76(129)111-58(71(124)109-57)19-8-37-102-84(93)94)118-81(134)69(53-30-29-51-14-1-2-15-52(51)46-53)119-75(128)61(20-9-38-103-85(95)96)108-70(123)56(92)16-7-40-105-87(99)138/h1-2,14-15,25-34,46,56-69,121-122H,3-13,16-24,35-45,47-48,90-92H2,(H,108,123)(H,109,124)(H,110,125)(H,111,129)(H,112,130)(H,113,126)(H,114,131)(H,115,132)(H,116,133)(H,117,127)(H,118,134)(H,119,128)(H,136,137)(H4,93,94,102)(H4,95,96,103)(H4,97,98,104)(H3,99,105,138)(H3,100,106,139)(H3,101,107,140)/t56-,57+,58-,59-,60-,61-,62-,63-,64+,65-,66+,67+,68+,69-/m0/s1 WEGMFLXWTRRTCT-UHMPCPRASA-N 50102031 CHEMBL2372986::Derivative of T140 peptide C-X-C chemokine receptor type 4 68 ChEMBL 10.1016/s0960-894x(01)00323-7 10.7270/Q25X29FS 11459656 Tamamura, H; Omagari, A; Hiramatsu, K; Gotoh, K; Kanamoto, T; Xu, Y; Kodama, E; Matsuoka, M; Hattori, T; Yamamoto, N; Nakashima, H; Otaka, A; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50102031 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50102031&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 73351833 103998588 CHEMBL2372986 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50732976 NCCCC[C@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCNC(N)=O)NC1=O)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)c1ccc2ccccc2c1 InChI=1S/C89H139N35O18S2/c90-34-4-3-16-57-73(131)118-62(22-11-41-111-89(104)142)82(140)124-42-12-23-67(124)80(138)120-64(44-49-26-32-54(126)33-27-49)77(135)117-59(19-8-38-108-86(99)100)72(130)115-60(21-10-40-110-88(103)141)74(132)121-65(78(136)112-56(69(92)127)17-6-36-106-84(95)96)46-143-144-47-66(79(137)119-63(43-48-24-30-53(125)31-25-48)76(134)116-58(71(129)114-57)18-7-37-107-85(97)98)122-81(139)68(52-29-28-50-13-1-2-14-51(50)45-52)123-75(133)61(20-9-39-109-87(101)102)113-70(128)55(91)15-5-35-105-83(93)94/h1-2,13-14,24-33,45,55-68,125-126H,3-12,15-23,34-44,46-47,90-91H2,(H2,92,127)(H,112,136)(H,113,128)(H,114,129)(H,115,130)(H,116,134)(H,117,135)(H,118,131)(H,119,137)(H,120,138)(H,121,132)(H,122,139)(H,123,133)(H4,93,94,105)(H4,95,96,106)(H4,97,98,107)(H4,99,100,108)(H4,101,102,109)(H3,103,110,141)(H3,104,111,142)/t55-,56-,57+,58-,59-,60-,61-,62-,63+,64-,65+,66+,67+,68-/m0/s1 IUJHSRQXKMWHKL-ACFTWUOWSA-N 50102032 CHEMBL2373001::Derivative of T140 peptide C-X-C chemokine receptor type 4 24 ChEMBL 10.1016/s0960-894x(01)00323-7 10.7270/Q25X29FS 11459656 Tamamura, H; Omagari, A; Hiramatsu, K; Gotoh, K; Kanamoto, T; Xu, Y; Kodama, E; Matsuoka, M; Hattori, T; Yamamoto, N; Nakashima, H; Otaka, A; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50102032 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50102032&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 73348746 103998589 CHEMBL2373001 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50732978 NCCCC[C@H]1NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCCN)NC1=O)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)c1ccc2ccccc2c1 InChI=1S/C89H138N32O19S2/c90-35-5-3-17-58-74(128)115-63(18-4-6-36-91)83(137)121-43-13-24-68(121)81(135)117-65(45-50-27-33-55(123)34-28-50)78(132)114-60(22-11-41-107-88(101)139)73(127)112-61(23-12-42-108-89(102)140)75(129)118-66(79(133)109-57(70(93)124)19-8-38-104-85(96)97)47-141-142-48-67(80(134)116-64(44-49-25-31-54(122)32-26-49)77(131)113-59(72(126)111-58)21-10-40-106-87(100)138)119-82(136)69(53-30-29-51-14-1-2-15-52(51)46-53)120-76(130)62(20-9-39-105-86(98)99)110-71(125)56(92)16-7-37-103-84(94)95/h1-2,14-15,25-34,46,56-69,122-123H,3-13,16-24,35-45,47-48,90-92H2,(H2,93,124)(H,109,133)(H,110,125)(H,111,126)(H,112,127)(H,113,131)(H,114,132)(H,115,128)(H,116,134)(H,117,135)(H,118,129)(H,119,136)(H,120,130)(H4,94,95,103)(H4,96,97,104)(H4,98,99,105)(H3,100,106,138)(H3,101,107,139)(H3,102,108,140)/t56-,57-,58+,59-,60-,61-,62-,63-,64+,65-,66+,67+,68+,69-/m0/s1 QHKPGQBESCQSEQ-ZCCUMRHQSA-N 50102034 CHEMBL2372995::Derivative of T140 peptide C-X-C chemokine receptor type 4 6.8 ChEMBL 10.1016/s0960-894x(01)00323-7 10.7270/Q25X29FS 11459656 Tamamura, H; Omagari, A; Hiramatsu, K; Gotoh, K; Kanamoto, T; Xu, Y; Kodama, E; Matsuoka, M; Hattori, T; Yamamoto, N; Nakashima, H; Otaka, A; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50102034 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50102034&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 73353311 103998591 CHEMBL2372995 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50732980 Nc1ccn([C@H]2CC[C@@H](CO)O2)c(=O)n1 InChI=1S/C9H13N3O3/c10-7-3-4-12(9(14)11-7)8-2-1-6(5-13)15-8/h3-4,6,8,13H,1-2,5H2,(H2,10,11,14)/t6-,8+/m0/s1 WREGKURFCTUGRC-POYBYMJQSA-N 50145605 4-amino-1-[(2R,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2(1H)-one::CHEMBL853::DDC::DDCYD::Dideoxycytidine::ZALCITABINE C-X-C chemokine receptor type 4 88 ChEMBL 10.1016/s0960-894x(01)00323-7 10.7270/Q25X29FS 11459656 Tamamura, H; Omagari, A; Hiramatsu, K; Gotoh, K; Kanamoto, T; Xu, Y; Kodama, E; Matsuoka, M; Hattori, T; Yamamoto, N; Nakashima, H; Otaka, A; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50145605 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50145605&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 24066 104034365 10101 CHEMBL853 DB00943 4828 C07207 ZINC00039906 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50732982 NCCCC[C@H]1NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCCN)NC1=O)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)c1ccc2ccccc2c1 InChI=1S/C89H139N33O18S2/c90-35-5-3-17-58-74(129)116-63(18-4-6-36-91)83(138)122-43-13-24-68(122)81(136)118-65(45-50-27-33-55(124)34-28-50)78(133)115-59(20-9-39-106-86(98)99)73(128)113-61(23-12-42-109-89(103)140)75(130)119-66(79(134)110-57(70(93)125)19-8-38-105-85(96)97)47-141-142-48-67(80(135)117-64(44-49-25-31-54(123)32-26-49)77(132)114-60(72(127)112-58)22-11-41-108-88(102)139)120-82(137)69(53-30-29-51-14-1-2-15-52(51)46-53)121-76(131)62(21-10-40-107-87(100)101)111-71(126)56(92)16-7-37-104-84(94)95/h1-2,14-15,25-34,46,56-69,123-124H,3-13,16-24,35-45,47-48,90-92H2,(H2,93,125)(H,110,134)(H,111,126)(H,112,127)(H,113,128)(H,114,132)(H,115,133)(H,116,129)(H,117,135)(H,118,136)(H,119,130)(H,120,137)(H,121,131)(H4,94,95,104)(H4,96,97,105)(H4,98,99,106)(H4,100,101,107)(H3,102,108,139)(H3,103,109,140)/t56-,57-,58+,59-,60-,61-,62-,63-,64+,65-,66+,67+,68+,69-/m0/s1 WJNCVOLBAKWJCB-ZCCUMRHQSA-N 50102037 CHEMBL2372993::Derivative of T140 peptide C-X-C chemokine receptor type 4 12 ChEMBL 10.1016/s0960-894x(01)00323-7 10.7270/Q25X29FS 11459656 Tamamura, H; Omagari, A; Hiramatsu, K; Gotoh, K; Kanamoto, T; Xu, Y; Kodama, E; Matsuoka, M; Hattori, T; Yamamoto, N; Nakashima, H; Otaka, A; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50102037 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50102037&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 73350320 103998594 CHEMBL2372993 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50732983 NCCCC[C@H]1NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCCN)NC1=O)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)c1ccc2ccccc2c1 InChI=1S/C89H137N31O20S2/c90-35-5-3-17-57-73(126)113-62(18-4-6-36-91)82(135)120-43-13-24-68(120)80(133)116-65(45-50-27-33-55(122)34-28-50)77(130)112-59(21-10-41-106-88(100)139)72(125)110-60(22-11-42-107-89(101)140)74(127)117-66(78(131)114-63(83(136)137)23-12-39-104-86(97)98)47-141-142-48-67(79(132)115-64(44-49-25-31-54(121)32-26-49)76(129)111-58(71(124)109-57)20-9-40-105-87(99)138)118-81(134)69(53-30-29-51-14-1-2-15-52(51)46-53)119-75(128)61(19-8-38-103-85(95)96)108-70(123)56(92)16-7-37-102-84(93)94/h1-2,14-15,25-34,46,56-69,121-122H,3-13,16-24,35-45,47-48,90-92H2,(H,108,123)(H,109,124)(H,110,125)(H,111,129)(H,112,130)(H,113,126)(H,114,131)(H,115,132)(H,116,133)(H,117,127)(H,118,134)(H,119,128)(H,136,137)(H4,93,94,102)(H4,95,96,103)(H4,97,98,104)(H3,99,105,138)(H3,100,106,139)(H3,101,107,140)/t56-,57+,58-,59-,60-,61-,62-,63-,64+,65-,66+,67+,68+,69-/m0/s1 CIBXWOGOGJBIQK-UHMPCPRASA-N 50102038 CHEMBL2372996::Derivative of T140 peptide C-X-C chemokine receptor type 4 8.9 ChEMBL 10.1016/s0960-894x(01)00323-7 10.7270/Q25X29FS 11459656 Tamamura, H; Omagari, A; Hiramatsu, K; Gotoh, K; Kanamoto, T; Xu, Y; Kodama, E; Matsuoka, M; Hattori, T; Yamamoto, N; Nakashima, H; Otaka, A; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50102038 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50102038&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 73351834 103998595 CHEMBL2372996 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50717301 CN1[C@H](CCCNC(=O)CCCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C1=O InChI=1S/C41H54N10O8/c1-51-33(10-6-19-45-35(54)12-4-11-34(42)53)39(58)49-30(9-5-20-46-41(43)44)38(57)50-31(23-26-13-16-27-7-2-3-8-28(27)21-26)37(56)47-24-36(55)48-32(40(51)59)22-25-14-17-29(52)18-15-25/h2-3,7-8,13-18,21,30-33,52H,4-6,9-12,19-20,22-24H2,1H3,(H2,42,53)(H,45,54)(H,47,56)(H,48,55)(H,49,58)(H,50,57)(H4,43,44,46)/t30-,31-,32+,33+/m0/s1 GZSLZCXVEDTPCH-UYEZAFAQSA-N 50363968 CHEMBL1949733 C-X-C chemokine receptor type 4 67 ChEMBL 10.1021/jm2009716 10.7270/Q23T9HQV 21905730 Demmer, O; Dijkgraaf, I; Schumacher, U; Marinelli, L; Cosconati, S; Gourni, E; Wester, HJ; Kessler, H Technische Universit£t M£nchen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50363968 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50363968&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 56647829 136968030 CHEMBL1949733 ZINC95549758 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50717302 CN1[C@H](CCCNC(=O)CCCC(=O)NCCC[C@H]2N(C)C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)CNC(=O)[C@H](Cc3ccc4ccccc4c3)NC(=O)[C@H](CCCN=C(N)N)NC2=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C1=O InChI=1S/C77H98N18O14/c1-94-62(72(106)90-56(16-8-36-84-76(78)79)70(104)92-58(42-48-22-28-50-12-3-5-14-52(50)38-48)68(102)86-44-66(100)88-60(74(94)108)40-46-24-30-54(96)31-25-46)18-10-34-82-64(98)20-7-21-65(99)83-35-11-19-63-73(107)91-57(17-9-37-85-77(80)81)71(105)93-59(43-49-23-29-51-13-4-6-15-53(51)39-49)69(103)87-45-67(101)89-61(75(109)95(63)2)41-47-26-32-55(97)33-27-47/h3-6,12-15,22-33,38-39,56-63,96-97H,7-11,16-21,34-37,40-45H2,1-2H3,(H,82,98)(H,83,99)(H,86,102)(H,87,103)(H,88,100)(H,89,101)(H,90,106)(H,91,107)(H,92,104)(H,93,105)(H4,78,79,84)(H4,80,81,85)/t56-,57-,58-,59-,60+,61+,62+,63+/m0/s1 ATUUWCUJPAPSBQ-NHQJELGKSA-N 50363969 CHEMBL1949734 C-X-C chemokine receptor type 4 4 ChEMBL 10.1021/jm2009716 10.7270/Q23T9HQV 21905730 Demmer, O; Dijkgraaf, I; Schumacher, U; Marinelli, L; Cosconati, S; Gourni, E; Wester, HJ; Kessler, H Technische Universit£t M£nchen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50363969 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50363969&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 91930549 136968031 CHEMBL1949734 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50717303 CN1[C@H](CCCNC(=O)CCCC(=O)NCCC[C@H]2N(C)C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)CNC(=O)[C@H](Cc3ccc4ccccc4c3)NC(=O)[C@H](CCCN=C(N)N)NC2=O)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C1=O InChI=1S/C77H97N17O15/c1-93-62(72(105)89-56(16-8-36-83-76(78)79)70(103)91-58(42-48-22-28-50-12-3-5-14-52(50)38-48)68(101)85-44-66(99)87-60(74(93)107)40-46-24-30-54(95)31-25-46)18-10-34-81-64(97)20-7-21-65(98)82-35-11-19-63-73(106)90-57(17-9-37-84-77(80)109)71(104)92-59(43-49-23-29-51-13-4-6-15-53(51)39-49)69(102)86-45-67(100)88-61(75(108)94(63)2)41-47-26-32-55(96)33-27-47/h3-6,12-15,22-33,38-39,56-63,95-96H,7-11,16-21,34-37,40-45H2,1-2H3,(H,81,97)(H,82,98)(H,85,101)(H,86,102)(H,87,99)(H,88,100)(H,89,105)(H,90,106)(H,91,103)(H,92,104)(H4,78,79,83)(H3,80,84,109)/t56-,57-,58-,59-,60+,61+,62+,63+/m0/s1 ULPJNNXJXAGIMG-NHQJELGKSA-N 50363970 CHEMBL1949735 C-X-C chemokine receptor type 4 19 ChEMBL 10.1021/jm2009716 10.7270/Q23T9HQV 21905730 Demmer, O; Dijkgraaf, I; Schumacher, U; Marinelli, L; Cosconati, S; Gourni, E; Wester, HJ; Kessler, H Technische Universit£t M£nchen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50363970 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50363970&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 91930550 136968032 CHEMBL1949735 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50717304 CN1[C@H](CCCNC(=O)CCC(=O)NCCC[C@H]2N(C)C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)CNC(=O)[C@H](Cc3ccc4ccccc4c3)NC(=O)[C@H](CCCN=C(N)N)NC2=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C1=O InChI=1S/C76H96N18O14/c1-93-61(71(105)89-55(15-7-35-83-75(77)78)69(103)91-57(41-47-19-25-49-11-3-5-13-51(49)37-47)67(101)85-43-65(99)87-59(73(93)107)39-45-21-27-53(95)28-22-45)17-9-33-81-63(97)31-32-64(98)82-34-10-18-62-72(106)90-56(16-8-36-84-76(79)80)70(104)92-58(42-48-20-26-50-12-4-6-14-52(50)38-48)68(102)86-44-66(100)88-60(74(108)94(62)2)40-46-23-29-54(96)30-24-46/h3-6,11-14,19-30,37-38,55-62,95-96H,7-10,15-18,31-36,39-44H2,1-2H3,(H,81,97)(H,82,98)(H,85,101)(H,86,102)(H,87,99)(H,88,100)(H,89,105)(H,90,106)(H,91,103)(H,92,104)(H4,77,78,83)(H4,79,80,84)/t55-,56-,57-,58-,59+,60+,61+,62+/m0/s1 SLSVNWORQULLNZ-SLFMAPDHSA-N 50363971 CHEMBL1949736 C-X-C chemokine receptor type 4 12 ChEMBL 10.1021/jm2009716 10.7270/Q23T9HQV 21905730 Demmer, O; Dijkgraaf, I; Schumacher, U; Marinelli, L; Cosconati, S; Gourni, E; Wester, HJ; Kessler, H Technische Universit£t M£nchen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50363971 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50363971&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 91930551 136968033 CHEMBL1949736 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50717305 CN1[C@H](CCCNC(=O)CCCCC(=O)NCCC[C@H]2N(C)C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)CNC(=O)[C@H](Cc3ccc4ccccc4c3)NC(=O)[C@H](CCCN=C(N)N)NC2=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C1=O InChI=1S/C78H100N18O14/c1-95-63(73(107)91-57(17-9-37-85-77(79)80)71(105)93-59(43-49-23-29-51-13-3-5-15-53(51)39-49)69(103)87-45-67(101)89-61(75(95)109)41-47-25-31-55(97)32-26-47)19-11-35-83-65(99)21-7-8-22-66(100)84-36-12-20-64-74(108)92-58(18-10-38-86-78(81)82)72(106)94-60(44-50-24-30-52-14-4-6-16-54(52)40-50)70(104)88-46-68(102)90-62(76(110)96(64)2)42-48-27-33-56(98)34-28-48/h3-6,13-16,23-34,39-40,57-64,97-98H,7-12,17-22,35-38,41-46H2,1-2H3,(H,83,99)(H,84,100)(H,87,103)(H,88,104)(H,89,101)(H,90,102)(H,91,107)(H,92,108)(H,93,105)(H,94,106)(H4,79,80,85)(H4,81,82,86)/t57-,58-,59-,60-,61+,62+,63+,64+/m0/s1 RQRQLQJKRHGHKT-JUMVBTLLSA-N 50363972 CHEMBL1949737 C-X-C chemokine receptor type 4 4 ChEMBL 10.1021/jm2009716 10.7270/Q23T9HQV 21905730 Demmer, O; Dijkgraaf, I; Schumacher, U; Marinelli, L; Cosconati, S; Gourni, E; Wester, HJ; Kessler, H Technische Universit£t M£nchen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50363972 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50363972&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 91930552 136968034 CHEMBL1949737 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50717306 CN1[C@H](CCCNC(=O)CCCCCCC(=O)NCCC[C@H]2N(C)C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)CNC(=O)[C@H](Cc3ccc4ccccc4c3)NC(=O)[C@H](CCCN=C(N)N)NC2=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C1=O InChI=1S/C80H104N18O14/c1-97-65(75(109)93-59(19-11-39-87-79(81)82)73(107)95-61(45-51-25-31-53-15-7-9-17-55(53)41-51)71(105)89-47-69(103)91-63(77(97)111)43-49-27-33-57(99)34-28-49)21-13-37-85-67(101)23-5-3-4-6-24-68(102)86-38-14-22-66-76(110)94-60(20-12-40-88-80(83)84)74(108)96-62(46-52-26-32-54-16-8-10-18-56(54)42-52)72(106)90-48-70(104)92-64(78(112)98(66)2)44-50-29-35-58(100)36-30-50/h7-10,15-18,25-36,41-42,59-66,99-100H,3-6,11-14,19-24,37-40,43-48H2,1-2H3,(H,85,101)(H,86,102)(H,89,105)(H,90,106)(H,91,103)(H,92,104)(H,93,109)(H,94,110)(H,95,107)(H,96,108)(H4,81,82,87)(H4,83,84,88)/t59-,60-,61-,62-,63+,64+,65+,66+/m0/s1 DRXJZXSTLIPEPY-AXYRKMPXSA-N 50363973 CHEMBL1949738 C-X-C chemokine receptor type 4 3 ChEMBL 10.1021/jm2009716 10.7270/Q23T9HQV 21905730 Demmer, O; Dijkgraaf, I; Schumacher, U; Marinelli, L; Cosconati, S; Gourni, E; Wester, HJ; Kessler, H Technische Universit£t M£nchen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50363973 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50363973&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 91930553 136968035 CHEMBL1949738 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50717307 CN1[C@H](CCCNC(=O)CCCCCCCCC(=O)NCCC[C@H]2N(C)C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)CNC(=O)[C@H](Cc3ccc4ccccc4c3)NC(=O)[C@H](CCCN=C(N)N)NC2=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C1=O InChI=1S/C82H108N18O14/c1-99-67(77(111)95-61(21-13-41-89-81(83)84)75(109)97-63(47-53-27-33-55-17-9-11-19-57(55)43-53)73(107)91-49-71(105)93-65(79(99)113)45-51-29-35-59(101)36-30-51)23-15-39-87-69(103)25-7-5-3-4-6-8-26-70(104)88-40-16-24-68-78(112)96-62(22-14-42-90-82(85)86)76(110)98-64(48-54-28-34-56-18-10-12-20-58(56)44-54)74(108)92-50-72(106)94-66(80(114)100(68)2)46-52-31-37-60(102)38-32-52/h9-12,17-20,27-38,43-44,61-68,101-102H,3-8,13-16,21-26,39-42,45-50H2,1-2H3,(H,87,103)(H,88,104)(H,91,107)(H,92,108)(H,93,105)(H,94,106)(H,95,111)(H,96,112)(H,97,109)(H,98,110)(H4,83,84,89)(H4,85,86,90)/t61-,62-,63-,64-,65+,66+,67+,68+/m0/s1 KYDDYALHXMGTJB-DXDCTAQJSA-N 50363974 CHEMBL1949739 C-X-C chemokine receptor type 4 2 ChEMBL 10.1021/jm2009716 10.7270/Q23T9HQV 21905730 Demmer, O; Dijkgraaf, I; Schumacher, U; Marinelli, L; Cosconati, S; Gourni, E; Wester, HJ; Kessler, H Technische Universit£t M£nchen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50363974 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50363974&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 91930554 136968036 CHEMBL1949739 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50717308 CN1[C@H](CCCNC(=O)CCCCCCCCCCCC(=O)NCCC[C@H]2N(C)C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)CNC(=O)[C@H](Cc3ccc4ccccc4c3)NC(=O)[C@H](CCCN=C(N)N)NC2=O)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C1=O InChI=1S/C85H113N17O15/c1-101-70(80(113)97-64(24-16-44-91-84(86)87)78(111)99-66(50-56-30-36-58-20-12-14-22-60(58)46-56)76(109)93-52-74(107)95-68(82(101)115)48-54-32-38-62(103)39-33-54)26-18-42-89-72(105)28-10-8-6-4-3-5-7-9-11-29-73(106)90-43-19-27-71-81(114)98-65(25-17-45-92-85(88)117)79(112)100-67(51-57-31-37-59-21-13-15-23-61(59)47-57)77(110)94-53-75(108)96-69(83(116)102(71)2)49-55-34-40-63(104)41-35-55/h12-15,20-23,30-41,46-47,64-71,103-104H,3-11,16-19,24-29,42-45,48-53H2,1-2H3,(H,89,105)(H,90,106)(H,93,109)(H,94,110)(H,95,107)(H,96,108)(H,97,113)(H,98,114)(H,99,111)(H,100,112)(H4,86,87,91)(H3,88,92,117)/t64-,65-,66-,67-,68+,69+,70+,71+/m0/s1 LZKMNGSQYPMPGT-CUTUSASXSA-N 50363975 CHEMBL1949740 C-X-C chemokine receptor type 4 4 ChEMBL 10.1021/jm2009716 10.7270/Q23T9HQV 21905730 Demmer, O; Dijkgraaf, I; Schumacher, U; Marinelli, L; Cosconati, S; Gourni, E; Wester, HJ; Kessler, H Technische Universit£t M£nchen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50363975 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50363975&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 91930555 136968037 CHEMBL1949740 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50717309 CN1[C@H](CCCNC(=O)CCCCCCCCCCCCCCC(=O)NCCC[C@H]2N(C)C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)CNC(=O)[C@H](Cc3ccc4ccccc4c3)NC(=O)[C@H](CCCN=C(N)N)NC2=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C1=O InChI=1S/C88H120N18O14/c1-105-73(83(117)101-67(27-19-47-95-87(89)90)81(115)103-69(53-59-33-39-61-23-15-17-25-63(61)49-59)79(113)97-55-77(111)99-71(85(105)119)51-57-35-41-65(107)42-36-57)29-21-45-93-75(109)31-13-11-9-7-5-3-4-6-8-10-12-14-32-76(110)94-46-22-30-74-84(118)102-68(28-20-48-96-88(91)92)82(116)104-70(54-60-34-40-62-24-16-18-26-64(62)50-60)80(114)98-56-78(112)100-72(86(120)106(74)2)52-58-37-43-66(108)44-38-58/h15-18,23-26,33-44,49-50,67-74,107-108H,3-14,19-22,27-32,45-48,51-56H2,1-2H3,(H,93,109)(H,94,110)(H,97,113)(H,98,114)(H,99,111)(H,100,112)(H,101,117)(H,102,118)(H,103,115)(H,104,116)(H4,89,90,95)(H4,91,92,96)/t67-,68-,69-,70-,71+,72+,73+,74+/m0/s1 FIFLSMXTMRGAMF-FRLRHDOFSA-N 50363976 CHEMBL1949741 C-X-C chemokine receptor type 4 33 ChEMBL 10.1021/jm2009716 10.7270/Q23T9HQV 21905730 Demmer, O; Dijkgraaf, I; Schumacher, U; Marinelli, L; Cosconati, S; Gourni, E; Wester, HJ; Kessler, H Technische Universit£t M£nchen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50363976 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50363976&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 91930556 136968038 CHEMBL1949741 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50717310 CN1[C@H](CCCNC(=O)CNC(=O)CC(=O)NCC(=O)NCCC[C@H]2N(C)C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)CNC(=O)[C@H](Cc3ccc4ccccc4c3)NC(=O)[C@H](CCCN=C(N)N)NC2=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C1=O InChI=1S/C79H100N20O16/c1-98-62(74(112)94-56(15-7-33-86-78(80)81)72(110)96-58(39-48-19-25-50-11-3-5-13-52(50)35-48)70(108)90-44-68(106)92-60(76(98)114)37-46-21-27-54(100)28-22-46)17-9-31-84-66(104)42-88-64(102)41-65(103)89-43-67(105)85-32-10-18-63-75(113)95-57(16-8-34-87-79(82)83)73(111)97-59(40-49-20-26-51-12-4-6-14-53(51)36-49)71(109)91-45-69(107)93-61(77(115)99(63)2)38-47-23-29-55(101)30-24-47/h3-6,11-14,19-30,35-36,56-63,100-101H,7-10,15-18,31-34,37-45H2,1-2H3,(H,84,104)(H,85,105)(H,88,102)(H,89,103)(H,90,108)(H,91,109)(H,92,106)(H,93,107)(H,94,112)(H,95,113)(H,96,110)(H,97,111)(H4,80,81,86)(H4,82,83,87)/t56-,57-,58-,59-,60+,61+,62+,63+/m0/s1 KRXOIIFAQMSSRK-NHQJELGKSA-N 50363977 CHEMBL1949884 C-X-C chemokine receptor type 4 8 ChEMBL 10.1021/jm2009716 10.7270/Q23T9HQV 21905730 Demmer, O; Dijkgraaf, I; Schumacher, U; Marinelli, L; Cosconati, S; Gourni, E; Wester, HJ; Kessler, H Technische Universit£t M£nchen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50363977 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50363977&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 91930557 136968039 CHEMBL1949884 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50717311 CN1[C@H](CCCNC(=O)CNC(=O)CCC(=O)NCC(=O)NCCC[C@H]2N(C)C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)CNC(=O)[C@H](Cc3ccc4ccccc4c3)NC(=O)[C@H](CCCN=C(N)N)NC2=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C1=O InChI=1S/C80H102N20O16/c1-99-63(75(113)95-57(15-7-35-87-79(81)82)73(111)97-59(41-49-19-25-51-11-3-5-13-53(51)37-49)71(109)91-45-69(107)93-61(77(99)115)39-47-21-27-55(101)28-22-47)17-9-33-85-67(105)43-89-65(103)31-32-66(104)90-44-68(106)86-34-10-18-64-76(114)96-58(16-8-36-88-80(83)84)74(112)98-60(42-50-20-26-52-12-4-6-14-54(52)38-50)72(110)92-46-70(108)94-62(78(116)100(64)2)40-48-23-29-56(102)30-24-48/h3-6,11-14,19-30,37-38,57-64,101-102H,7-10,15-18,31-36,39-46H2,1-2H3,(H,85,105)(H,86,106)(H,89,103)(H,90,104)(H,91,109)(H,92,110)(H,93,107)(H,94,108)(H,95,113)(H,96,114)(H,97,111)(H,98,112)(H4,81,82,87)(H4,83,84,88)/t57-,58-,59-,60-,61+,62+,63+,64+/m0/s1 YPWIQUIIJUYFAF-JUMVBTLLSA-N 50363978 CHEMBL1949885 C-X-C chemokine receptor type 4 6 ChEMBL 10.1021/jm2009716 10.7270/Q23T9HQV 21905730 Demmer, O; Dijkgraaf, I; Schumacher, U; Marinelli, L; Cosconati, S; Gourni, E; Wester, HJ; Kessler, H Technische Universit£t M£nchen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50363978 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50363978&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 91930558 136968040 CHEMBL1949885 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50717312 CN1[C@H](CCCNC(=O)CNC(=O)CCCC(=O)NCC(=O)NCCC[C@H]2N(C)C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)CNC(=O)[C@H](Cc3ccc4ccccc4c3)NC(=O)[C@H](CCCN=C(N)N)NC2=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C1=O InChI=1S/C81H104N20O16/c1-100-64(76(114)96-58(16-8-36-88-80(82)83)74(112)98-60(42-50-22-28-52-12-3-5-14-54(52)38-50)72(110)92-46-70(108)94-62(78(100)116)40-48-24-30-56(102)31-25-48)18-10-34-86-68(106)44-90-66(104)20-7-21-67(105)91-45-69(107)87-35-11-19-65-77(115)97-59(17-9-37-89-81(84)85)75(113)99-61(43-51-23-29-53-13-4-6-15-55(53)39-51)73(111)93-47-71(109)95-63(79(117)101(65)2)41-49-26-32-57(103)33-27-49/h3-6,12-15,22-33,38-39,58-65,102-103H,7-11,16-21,34-37,40-47H2,1-2H3,(H,86,106)(H,87,107)(H,90,104)(H,91,105)(H,92,110)(H,93,111)(H,94,108)(H,95,109)(H,96,114)(H,97,115)(H,98,112)(H,99,113)(H4,82,83,88)(H4,84,85,89)/t58-,59-,60-,61-,62+,63+,64+,65+/m0/s1 FCOLPWCLVLGFLX-RVMQREKESA-N 50363979 CHEMBL1949886 C-X-C chemokine receptor type 4 14 ChEMBL 10.1021/jm2009716 10.7270/Q23T9HQV 21905730 Demmer, O; Dijkgraaf, I; Schumacher, U; Marinelli, L; Cosconati, S; Gourni, E; Wester, HJ; Kessler, H Technische Universit£t M£nchen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50363979 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50363979&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 91930559 136968041 CHEMBL1949886 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50717313 CN1[C@H](CCCNC(=O)C[C@H](NC(=O)CCCCCNC(=O)CN2CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC2)C(=O)NCCC[C@H]2N(C)C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)CNC(=O)[C@H](Cc3ccc4ccccc4c3)NC(=O)[C@H](CCCN=C(N)N)NC2=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C1=O InChI=1S/C98H134N24O22/c1-117-78(93(141)113-71(18-10-38-106-97(99)100)91(139)115-73(52-63-23-29-65-14-5-7-16-67(65)48-63)89(137)108-55-82(127)111-76(95(117)143)50-61-25-31-69(123)32-26-61)20-12-36-103-81(126)54-75(110-80(125)22-4-3-9-35-104-84(129)57-119-40-42-120(58-85(130)131)44-46-122(60-87(134)135)47-45-121(43-41-119)59-86(132)133)88(136)105-37-13-21-79-94(142)114-72(19-11-39-107-98(101)102)92(140)116-74(53-64-24-30-66-15-6-8-17-68(66)49-64)90(138)109-56-83(128)112-77(96(144)118(79)2)51-62-27-33-70(124)34-28-62/h5-8,14-17,23-34,48-49,71-79,123-124H,3-4,9-13,18-22,35-47,50-60H2,1-2H3,(H,103,126)(H,104,129)(H,105,136)(H,108,137)(H,109,138)(H,110,125)(H,111,127)(H,112,128)(H,113,141)(H,114,142)(H,115,139)(H,116,140)(H,130,131)(H,132,133)(H,134,135)(H4,99,100,106)(H4,101,102,107)/t71-,72-,73-,74-,75-,76+,77+,78+,79+/m0/s1 ARTXPBGRIIABDM-QUUDREPISA-N 50363980 CHEMBL1949887 C-X-C chemokine receptor type 4 98 ChEMBL 10.1021/jm2009716 10.7270/Q23T9HQV 21905730 Demmer, O; Dijkgraaf, I; Schumacher, U; Marinelli, L; Cosconati, S; Gourni, E; Wester, HJ; Kessler, H Technische Universit£t M£nchen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50363980 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50363980&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 91930560 136968042 CHEMBL1949887 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50717314 CN1[C@H](CCCNC(=O)CC(CC(=O)NCCC[C@H]2N(C)C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)CNC(=O)[C@H](Cc3ccc4ccccc4c3)NC(=O)[C@H](CCCN=C(N)N)NC2=O)NC(=O)CCCCCNC(=O)CN2CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C1=O InChI=1S/C99H136N24O22/c1-118-79(94(142)114-73(18-10-38-107-98(100)101)92(140)116-75(52-64-23-29-66-14-5-7-16-68(66)48-64)90(138)109-56-84(129)112-77(96(118)144)50-62-25-31-71(124)32-26-62)20-12-36-104-82(127)54-70(111-81(126)22-4-3-9-35-106-86(131)58-120-40-42-121(59-87(132)133)44-46-123(61-89(136)137)47-45-122(43-41-120)60-88(134)135)55-83(128)105-37-13-21-80-95(143)115-74(19-11-39-108-99(102)103)93(141)117-76(53-65-24-30-67-15-6-8-17-69(67)49-65)91(139)110-57-85(130)113-78(97(145)119(80)2)51-63-27-33-72(125)34-28-63/h5-8,14-17,23-34,48-49,70,73-80,124-125H,3-4,9-13,18-22,35-47,50-61H2,1-2H3,(H,104,127)(H,105,128)(H,106,131)(H,109,138)(H,110,139)(H,111,126)(H,112,129)(H,113,130)(H,114,142)(H,115,143)(H,116,140)(H,117,141)(H,132,133)(H,134,135)(H,136,137)(H4,100,101,107)(H4,102,103,108)/t73-,74-,75-,76-,77+,78+,79+,80+/m0/s1 LRSGSEDMUZQVFP-OAWCADRNSA-N 50363981 CHEMBL1949888 C-X-C chemokine receptor type 4 31 ChEMBL 10.1021/jm2009716 10.7270/Q23T9HQV 21905730 Demmer, O; Dijkgraaf, I; Schumacher, U; Marinelli, L; Cosconati, S; Gourni, E; Wester, HJ; Kessler, H Technische Universit£t M£nchen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50363981 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50363981&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 91930561 136968043 CHEMBL1949888 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50717315 CN1[C@H](CCCNC(=O)CNC(=O)C[C@H](NC(=O)CCCCCNC(=O)CN2CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC2)C(=O)NCC(=O)NCCC[C@H]2N(C)C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)CNC(=O)[C@H](Cc3ccc4ccccc4c3)NC(=O)[C@H](CCCN=C(N)N)NC2=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C1=O InChI=1S/C102H140N26O24/c1-123-80(97(149)119-73(18-10-38-110-101(103)104)95(147)121-75(52-65-23-29-67-14-5-7-16-69(67)48-65)92(144)114-57-86(135)117-78(99(123)151)50-63-25-31-71(129)32-26-63)20-12-36-107-84(133)55-112-83(132)54-77(116-82(131)22-4-3-9-35-109-88(137)59-125-40-42-126(60-89(138)139)44-46-128(62-91(142)143)47-45-127(43-41-125)61-90(140)141)94(146)113-56-85(134)108-37-13-21-81-98(150)120-74(19-11-39-111-102(105)106)96(148)122-76(53-66-24-30-68-15-6-8-17-70(68)49-66)93(145)115-58-87(136)118-79(100(152)124(81)2)51-64-27-33-72(130)34-28-64/h5-8,14-17,23-34,48-49,73-81,129-130H,3-4,9-13,18-22,35-47,50-62H2,1-2H3,(H,107,133)(H,108,134)(H,109,137)(H,112,132)(H,113,146)(H,114,144)(H,115,145)(H,116,131)(H,117,135)(H,118,136)(H,119,149)(H,120,150)(H,121,147)(H,122,148)(H,138,139)(H,140,141)(H,142,143)(H4,103,104,110)(H4,105,106,111)/t73-,74-,75-,76-,77-,78+,79+,80+,81+/m0/s1 NXFNBOOFOKGEFL-OQXDTDKJSA-N 50363982 CHEMBL1949889 C-X-C chemokine receptor type 4 39 ChEMBL 10.1021/jm2009716 10.7270/Q23T9HQV 21905730 Demmer, O; Dijkgraaf, I; Schumacher, U; Marinelli, L; Cosconati, S; Gourni, E; Wester, HJ; Kessler, H Technische Universit£t M£nchen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50363982 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50363982&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 91930562 136968044 CHEMBL1949889 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50717316 CN1[C@H](CCCNC(=O)CNC(=O)CC(CC(=O)NCC(=O)NCCC[C@H]2N(C)C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)CNC(=O)[C@H](Cc3ccc4ccccc4c3)NC(=O)[C@H](CCCN=C(N)N)NC2=O)NC(=O)CCCCCNC(=O)CN2CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C1=O InChI=1S/C103H142N26O24/c1-124-81(98(150)120-75(18-10-38-111-102(104)105)96(148)122-77(52-66-23-29-68-14-5-7-16-70(68)48-66)94(146)115-58-88(137)118-79(100(124)152)50-64-25-31-73(130)32-26-64)20-12-36-108-86(135)56-113-84(133)54-72(117-83(132)22-4-3-9-35-110-90(139)60-126-40-42-127(61-91(140)141)44-46-129(63-93(144)145)47-45-128(43-41-126)62-92(142)143)55-85(134)114-57-87(136)109-37-13-21-82-99(151)121-76(19-11-39-112-103(106)107)97(149)123-78(53-67-24-30-69-15-6-8-17-71(69)49-67)95(147)116-59-89(138)119-80(101(153)125(82)2)51-65-27-33-74(131)34-28-65/h5-8,14-17,23-34,48-49,72,75-82,130-131H,3-4,9-13,18-22,35-47,50-63H2,1-2H3,(H,108,135)(H,109,136)(H,110,139)(H,113,133)(H,114,134)(H,115,146)(H,116,147)(H,117,132)(H,118,137)(H,119,138)(H,120,150)(H,121,151)(H,122,148)(H,123,149)(H,140,141)(H,142,143)(H,144,145)(H4,104,105,111)(H4,106,107,112)/t75-,76-,77-,78-,79+,80+,81+,82+/m0/s1 CZZNOVXIVNEEKN-ZJMCIECFSA-N 50363983 CHEMBL1949890 C-X-C chemokine receptor type 4 17 ChEMBL 10.1021/jm2009716 10.7270/Q23T9HQV 21905730 Demmer, O; Dijkgraaf, I; Schumacher, U; Marinelli, L; Cosconati, S; Gourni, E; Wester, HJ; Kessler, H Technische Universit£t M£nchen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50363983 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50363983&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 91930563 136968045 CHEMBL1949890 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50717317 CN1[C@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C1=O InChI=1S/C37H49N11O6/c1-48-30(9-5-17-43-37(40)41)34(53)46-27(8-4-16-42-36(38)39)33(52)47-28(20-23-10-13-24-6-2-3-7-25(24)18-23)32(51)44-21-31(50)45-29(35(48)54)19-22-11-14-26(49)15-12-22/h2-3,6-7,10-15,18,27-30,49H,4-5,8-9,16-17,19-21H2,1H3,(H,44,51)(H,45,50)(H,46,53)(H,47,52)(H4,38,39,42)(H4,40,41,43)/t27-,28-,29+,30+/m0/s1 FZOZRYUHOMFSGD-VZNYXHRGSA-N 50363984 CHEMBL1949730 C-X-C chemokine receptor type 4 2 ChEMBL 10.1021/jm2009716 10.7270/Q23T9HQV 21905730 Demmer, O; Dijkgraaf, I; Schumacher, U; Marinelli, L; Cosconati, S; Gourni, E; Wester, HJ; Kessler, H Technische Universit£t M£nchen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50363984 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50363984&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 10372866 136968046 CHEMBL1949730 ZINC82154522 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50717318 CN1[C@H](CCCNC(C)=O)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C1=O InChI=1S/C38H48N8O8/c1-23(47)40-17-6-10-32-36(52)44-29(9-5-18-41-38(39)54)35(51)45-30(21-25-11-14-26-7-3-4-8-27(26)19-25)34(50)42-22-33(49)43-31(37(53)46(32)2)20-24-12-15-28(48)16-13-24/h3-4,7-8,11-16,19,29-32,48H,5-6,9-10,17-18,20-22H2,1-2H3,(H,40,47)(H,42,50)(H,43,49)(H,44,52)(H,45,51)(H3,39,41,54)/t29-,30-,31+,32+/m0/s1 PHCCFUCCVACRJJ-GASGPIRDSA-N 50363985 CHEMBL1949675 C-X-C chemokine receptor type 4 1000 ChEMBL 10.1021/jm2009716 10.7270/Q23T9HQV 21905730 Demmer, O; Dijkgraaf, I; Schumacher, U; Marinelli, L; Cosconati, S; Gourni, E; Wester, HJ; Kessler, H Technische Universit£t M£nchen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50363985 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50363985&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 56649212 136968047 CHEMBL1949675 ZINC95549735 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50717319 CN1[C@H](CCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C1=O InChI=1S/C36H47N9O6/c1-45-30(9-4-16-37)34(50)43-27(8-5-17-40-36(38)39)33(49)44-28(20-23-10-13-24-6-2-3-7-25(24)18-23)32(48)41-21-31(47)42-29(35(45)51)19-22-11-14-26(46)15-12-22/h2-3,6-7,10-15,18,27-30,46H,4-5,8-9,16-17,19-21,37H2,1H3,(H,41,48)(H,42,47)(H,43,50)(H,44,49)(H4,38,39,40)/t27-,28-,29+,30+/m0/s1 RYBIIIZNUPUDLJ-VZNYXHRGSA-N 50363986 CHEMBL1949731 C-X-C chemokine receptor type 4 6 ChEMBL 10.1021/jm2009716 10.7270/Q23T9HQV 21905730 Demmer, O; Dijkgraaf, I; Schumacher, U; Marinelli, L; Cosconati, S; Gourni, E; Wester, HJ; Kessler, H Technische Universit£t M£nchen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50363986 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50363986&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 57400274 136968048 CHEMBL1949731 ZINC82156979 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50717320 CN1[C@H](CCCNC(C)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C1=O InChI=1S/C38H49N9O7/c1-23(48)41-17-6-10-32-36(53)45-29(9-5-18-42-38(39)40)35(52)46-30(21-25-11-14-26-7-3-4-8-27(26)19-25)34(51)43-22-33(50)44-31(37(54)47(32)2)20-24-12-15-28(49)16-13-24/h3-4,7-8,11-16,19,29-32,49H,5-6,9-10,17-18,20-22H2,1-2H3,(H,41,48)(H,43,51)(H,44,50)(H,45,53)(H,46,52)(H4,39,40,42)/t29-,30-,31+,32+/m0/s1 XTZBBPTXUFEKOS-GASGPIRDSA-N 50363987 CHEMBL1949732 C-X-C chemokine receptor type 4 60 ChEMBL 10.1021/jm2009716 10.7270/Q23T9HQV 21905730 Demmer, O; Dijkgraaf, I; Schumacher, U; Marinelli, L; Cosconati, S; Gourni, E; Wester, HJ; Kessler, H Technische Universit£t M£nchen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50363987 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50363987&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 56649213 136968049 CHEMBL1949732 ZINC82156981 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50732986 NCCCC[C@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCCN)NC1=O)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)c1ccc2ccccc2c1 InChI=1S/C89H140N34O17S2/c90-35-5-3-17-58-74(130)117-63(18-4-6-36-91)83(139)123-43-13-24-68(123)81(137)119-65(45-50-27-33-55(125)34-28-50)78(134)116-60(21-10-40-108-87(100)101)73(129)114-61(23-12-42-110-89(104)140)75(131)120-66(79(135)111-57(70(93)126)19-8-38-106-85(96)97)47-141-142-48-67(80(136)118-64(44-49-25-31-54(124)32-26-49)77(133)115-59(72(128)113-58)20-9-39-107-86(98)99)121-82(138)69(53-30-29-51-14-1-2-15-52(51)46-53)122-76(132)62(22-11-41-109-88(102)103)112-71(127)56(92)16-7-37-105-84(94)95/h1-2,14-15,25-34,46,56-69,124-125H,3-13,16-24,35-45,47-48,90-92H2,(H2,93,126)(H,111,135)(H,112,127)(H,113,128)(H,114,129)(H,115,133)(H,116,134)(H,117,130)(H,118,136)(H,119,137)(H,120,131)(H,121,138)(H,122,132)(H4,94,95,105)(H4,96,97,106)(H4,98,99,107)(H4,100,101,108)(H4,102,103,109)(H3,104,110,140)/t56-,57-,58+,59-,60-,61-,62-,63-,64+,65-,66+,67+,68+,69-/m0/s1 KMHAUBXUCDXSDI-ZCCUMRHQSA-N 50102039 CHEMBL2372998::Derivative of T140 peptide C-X-C chemokine receptor type 4 72 ChEMBL 10.1016/s0960-894x(01)00323-7 10.7270/Q25X29FS 11459656 Tamamura, H; Omagari, A; Hiramatsu, K; Gotoh, K; Kanamoto, T; Xu, Y; Kodama, E; Matsuoka, M; Hattori, T; Yamamoto, N; Nakashima, H; Otaka, A; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50102039 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50102039&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 73356371 103998596 CHEMBL2372998 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50732989 NCCCC[C@H]1NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCCN)NC1=O)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCNC(N)=O)c1ccc2ccccc2c1 InChI=1S/C89H137N31O20S2/c90-35-5-3-17-57-73(126)113-62(18-4-6-36-91)82(135)120-43-13-24-68(120)80(133)116-65(45-50-27-33-55(122)34-28-50)77(130)112-58(19-8-37-102-84(93)94)72(125)110-60(22-11-42-107-89(101)140)74(127)117-66(78(131)114-63(83(136)137)23-12-39-104-86(97)98)47-141-142-48-67(79(132)115-64(44-49-25-31-54(121)32-26-49)76(129)111-59(71(124)109-57)21-10-41-106-88(100)139)118-81(134)69(53-30-29-51-14-1-2-15-52(51)46-53)119-75(128)61(20-9-38-103-85(95)96)108-70(123)56(92)16-7-40-105-87(99)138/h1-2,14-15,25-34,46,56-69,121-122H,3-13,16-24,35-45,47-48,90-92H2,(H,108,123)(H,109,124)(H,110,125)(H,111,129)(H,112,130)(H,113,126)(H,114,131)(H,115,132)(H,116,133)(H,117,127)(H,118,134)(H,119,128)(H,136,137)(H4,93,94,102)(H4,95,96,103)(H4,97,98,104)(H3,99,105,138)(H3,100,106,139)(H3,101,107,140)/t56-,57+,58-,59-,60-,61-,62-,63-,64+,65-,66+,67+,68+,69-/m0/s1 PDFUFRMIMYGZRP-UHMPCPRASA-N 50102042 CHEMBL2373000::Derivative of T140 peptide C-X-C chemokine receptor type 4 37 ChEMBL 10.1016/s0960-894x(01)00323-7 10.7270/Q25X29FS 11459656 Tamamura, H; Omagari, A; Hiramatsu, K; Gotoh, K; Kanamoto, T; Xu, Y; Kodama, E; Matsuoka, M; Hattori, T; Yamamoto, N; Nakashima, H; Otaka, A; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50102042 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50102042&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 73345746 103998599 CHEMBL2373000 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50732992 NCCCC[C@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCNC(N)=O)NC1=O)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCNC(N)=O)c1ccc2ccccc2c1 InChI=1S/C89H137N33O20S2/c90-34-4-3-16-56-72(128)115-61(21-10-41-109-89(102)142)81(137)122-42-12-23-67(122)79(135)118-64(44-49-26-32-54(124)33-27-49)76(132)114-58(18-7-36-104-84(94)95)71(127)112-59(20-9-40-108-88(101)141)73(129)119-65(77(133)116-62(82(138)139)22-11-38-106-86(98)99)46-143-144-47-66(78(134)117-63(43-48-24-30-53(123)31-25-48)75(131)113-57(70(126)111-56)17-6-35-103-83(92)93)120-80(136)68(52-29-28-50-13-1-2-14-51(50)45-52)121-74(130)60(19-8-37-105-85(96)97)110-69(125)55(91)15-5-39-107-87(100)140/h1-2,13-14,24-33,45,55-68,123-124H,3-12,15-23,34-44,46-47,90-91H2,(H,110,125)(H,111,126)(H,112,127)(H,113,131)(H,114,132)(H,115,128)(H,116,133)(H,117,134)(H,118,135)(H,119,129)(H,120,136)(H,121,130)(H,138,139)(H4,92,93,103)(H4,94,95,104)(H4,96,97,105)(H4,98,99,106)(H3,100,107,140)(H3,101,108,141)(H3,102,109,142)/t55-,56+,57-,58-,59-,60-,61-,62-,63+,64-,65+,66+,67+,68-/m0/s1 KVJXCWNXQDPROG-GFIORFOWSA-N 50102043 CHEMBL2373005::Derivative of T140 peptide C-X-C chemokine receptor type 4 36 ChEMBL 10.1016/s0960-894x(01)00323-7 10.7270/Q25X29FS 11459656 Tamamura, H; Omagari, A; Hiramatsu, K; Gotoh, K; Kanamoto, T; Xu, Y; Kodama, E; Matsuoka, M; Hattori, T; Yamamoto, N; Nakashima, H; Otaka, A; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50102043 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50102043&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 73354824 103998600 CHEMBL2373005 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50732993 NCCCC[C@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCNC(N)=O)NC1=O)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)c1ccc2ccccc2c1 InChI=1S/C89H137N33O20S2/c90-34-4-3-16-56-72(128)115-61(21-10-41-109-89(102)142)81(137)122-42-12-23-67(122)79(135)118-64(44-49-26-32-54(124)33-27-49)76(132)114-58(19-8-39-107-87(100)140)71(127)112-59(20-9-40-108-88(101)141)73(129)119-65(77(133)116-62(82(138)139)22-11-38-106-86(98)99)46-143-144-47-66(78(134)117-63(43-48-24-30-53(123)31-25-48)75(131)113-57(70(126)111-56)17-6-36-104-84(94)95)120-80(136)68(52-29-28-50-13-1-2-14-51(50)45-52)121-74(130)60(18-7-37-105-85(96)97)110-69(125)55(91)15-5-35-103-83(92)93/h1-2,13-14,24-33,45,55-68,123-124H,3-12,15-23,34-44,46-47,90-91H2,(H,110,125)(H,111,126)(H,112,127)(H,113,131)(H,114,132)(H,115,128)(H,116,133)(H,117,134)(H,118,135)(H,119,129)(H,120,136)(H,121,130)(H,138,139)(H4,92,93,103)(H4,94,95,104)(H4,96,97,105)(H4,98,99,106)(H3,100,107,140)(H3,101,108,141)(H3,102,109,142)/t55-,56+,57-,58-,59-,60-,61-,62-,63+,64-,65+,66+,67+,68-/m0/s1 NBCWDEZSYGUHSL-GFIORFOWSA-N 50102041 CHEMBL2372990::Derivative of T140 peptide C-X-C chemokine receptor type 4 7.8 ChEMBL 10.1016/s0960-894x(01)00323-7 10.7270/Q25X29FS 11459656 Tamamura, H; Omagari, A; Hiramatsu, K; Gotoh, K; Kanamoto, T; Xu, Y; Kodama, E; Matsuoka, M; Hattori, T; Yamamoto, N; Nakashima, H; Otaka, A; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50102041 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50102041&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 73354822 103998598 CHEMBL2372990 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50732994 NCCCC[C@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCCN)NC1=O)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCNC(N)=O)c1ccc2ccccc2c1 InChI=1S/C89H138N32O19S2/c90-35-5-3-17-58-74(128)115-63(18-4-6-36-91)83(137)121-43-13-24-68(121)81(135)117-65(45-50-27-33-55(123)34-28-50)78(132)114-60(22-11-41-107-88(101)139)73(127)112-61(23-12-42-108-89(102)140)75(129)118-66(79(133)109-57(70(93)124)19-8-37-103-84(94)95)47-141-142-48-67(80(134)116-64(44-49-25-31-54(122)32-26-49)77(131)113-59(72(126)111-58)20-9-38-104-85(96)97)119-82(136)69(53-30-29-51-14-1-2-15-52(51)46-53)120-76(130)62(21-10-39-105-86(98)99)110-71(125)56(92)16-7-40-106-87(100)138/h1-2,14-15,25-34,46,56-69,122-123H,3-13,16-24,35-45,47-48,90-92H2,(H2,93,124)(H,109,133)(H,110,125)(H,111,126)(H,112,127)(H,113,131)(H,114,132)(H,115,128)(H,116,134)(H,117,135)(H,118,129)(H,119,136)(H,120,130)(H4,94,95,103)(H4,96,97,104)(H4,98,99,105)(H3,100,106,138)(H3,101,107,139)(H3,102,108,140)/t56-,57-,58+,59-,60-,61-,62-,63-,64+,65-,66+,67+,68+,69-/m0/s1 KSWXKTOCMKKJIE-ZCCUMRHQSA-N 50102045 CHEMBL2373003::Derivative of T140 peptide C-X-C chemokine receptor type 4 40 ChEMBL 10.1016/s0960-894x(01)00323-7 10.7270/Q25X29FS 11459656 Tamamura, H; Omagari, A; Hiramatsu, K; Gotoh, K; Kanamoto, T; Xu, Y; Kodama, E; Matsuoka, M; Hattori, T; Yamamoto, N; Nakashima, H; Otaka, A; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50102045 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50102045&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 73347229 103998602 CHEMBL2373003 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50732996 NCCCC[C@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCNC(N)=O)NC1=O)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCNC(N)=O)c1ccc2ccccc2c1 InChI=1S/C89H138N34O19S2/c90-34-4-3-16-57-73(130)117-62(22-11-41-110-89(103)142)82(139)123-42-12-23-67(123)80(137)119-64(44-49-26-32-54(125)33-27-49)77(134)116-59(19-8-37-106-85(97)98)72(129)114-60(21-10-40-109-88(102)141)74(131)120-65(78(135)111-56(69(92)126)17-6-35-104-83(93)94)46-143-144-47-66(79(136)118-63(43-48-24-30-53(124)31-25-48)76(133)115-58(71(128)113-57)18-7-36-105-84(95)96)121-81(138)68(52-29-28-50-13-1-2-14-51(50)45-52)122-75(132)61(20-9-38-107-86(99)100)112-70(127)55(91)15-5-39-108-87(101)140/h1-2,13-14,24-33,45,55-68,124-125H,3-12,15-23,34-44,46-47,90-91H2,(H2,92,126)(H,111,135)(H,112,127)(H,113,128)(H,114,129)(H,115,133)(H,116,134)(H,117,130)(H,118,136)(H,119,137)(H,120,131)(H,121,138)(H,122,132)(H4,93,94,104)(H4,95,96,105)(H4,97,98,106)(H4,99,100,107)(H3,101,108,140)(H3,102,109,141)(H3,103,110,142)/t55-,56-,57+,58-,59-,60-,61-,62-,63+,64-,65+,66+,67+,68-/m0/s1 NAMJEHVCWCYFRW-ACFTWUOWSA-N 50102047 CHEMBL2373004::Derivative of T140 peptide C-X-C chemokine receptor type 4 1.2 ChEMBL 10.1016/s0960-894x(01)00323-7 10.7270/Q25X29FS 11459656 Tamamura, H; Omagari, A; Hiramatsu, K; Gotoh, K; Kanamoto, T; Xu, Y; Kodama, E; Matsuoka, M; Hattori, T; Yamamoto, N; Nakashima, H; Otaka, A; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50102047 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50102047&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 73353312 103998604 CHEMBL2373004 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50732998 NCCCC[C@H]1NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCCN)NC1=O)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCNC(N)=O)c1ccc2ccccc2c1 InChI=1S/C89H138N32O19S2/c90-35-5-3-17-58-74(128)115-63(18-4-6-36-91)83(137)121-43-13-24-68(121)81(135)117-65(45-50-27-33-55(123)34-28-50)78(132)114-59(20-9-38-104-85(96)97)73(127)112-61(23-12-42-108-89(102)140)75(129)118-66(79(133)109-57(70(93)124)19-8-37-103-84(94)95)47-141-142-48-67(80(134)116-64(44-49-25-31-54(122)32-26-49)77(131)113-60(72(126)111-58)22-11-41-107-88(101)139)119-82(136)69(53-30-29-51-14-1-2-15-52(51)46-53)120-76(130)62(21-10-39-105-86(98)99)110-71(125)56(92)16-7-40-106-87(100)138/h1-2,14-15,25-34,46,56-69,122-123H,3-13,16-24,35-45,47-48,90-92H2,(H2,93,124)(H,109,133)(H,110,125)(H,111,126)(H,112,127)(H,113,131)(H,114,132)(H,115,128)(H,116,134)(H,117,135)(H,118,129)(H,119,136)(H,120,130)(H4,94,95,103)(H4,96,97,104)(H4,98,99,105)(H3,100,106,138)(H3,101,107,139)(H3,102,108,140)/t56-,57-,58+,59-,60-,61-,62-,63-,64+,65-,66+,67+,68+,69-/m0/s1 URVNUQZMJHWSOO-ZCCUMRHQSA-N 50102048 CHEMBL2372999::Derivative of T140 peptide C-X-C chemokine receptor type 4 6.6 ChEMBL 10.1016/s0960-894x(01)00323-7 10.7270/Q25X29FS 11459656 Tamamura, H; Omagari, A; Hiramatsu, K; Gotoh, K; Kanamoto, T; Xu, Y; Kodama, E; Matsuoka, M; Hattori, T; Yamamoto, N; Nakashima, H; Otaka, A; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50102048 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50102048&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 73348745 103998605 CHEMBL2372999 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50733000 Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=O InChI=1S/C10H13N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t6-,7+,8+/m0/s1 HBOMLICNUCNMMY-XLPZGREQSA-N 50002692 (AZT) 1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione::(AZT)1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione::1-((2R,4R,5S)-4-azido-5-(hydroxymethyl)tetrahydrofuran-2-yl)-5-methylpyrimidine-2,4(1H,3H)-dione::1-((2R,4S,5S)-4-(diazoamino)-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-5-methylpyrimidine-2,4(1H,3H)-dione::1-((2R,4S,5S)-4-Azido-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione::1-((2R,4S,5S)-4-azido-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-5-methylpyrimidine-2,4(1H,3H)-dione::1-((2R,4S,5S)-4-azido-5-(hydroxymethyl)tetrahydrofuran-2-yl)-5-methylpyrimidine-2,4(1H,3H)-dione::1-((2R,5S)-4-Azido-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione::1-((2S,4R,5R)-4-Azido-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione::1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione::1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione (AZT)::1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione (AzddThd, AZT)::1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione (N3ddThd)::1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione [AZT]::1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione(3'-azido-2',3'-dideoxythymidine)::1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione(AZT)::1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione(Zidovudine, AZT)::1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione(azidothymidine, AZT)::3'-Azido-3'-deoxy-thymidine::3'-Deoxy-3-azidothymidine::3'-azido-2',3'-dideoxythymidine::3'-azido-thymidine::3'azido-2'3'-dideoxythymidine::3-((2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl)triaz-1-en-2-ium-1-ide::4-(4-Azido-5-hydroxy-tetrahydro-furan-2-yl)-5-methyl-3H-pyrazine-2,6-dione::AZT::BW-A-509U::BWA509U::CHEMBL129::Retrovir::US10071110, Compound AZT::US11420959, Example AZT::ZIDOVUDINE::azidothymidine::zidovudin::zudovidine C-X-C chemokine receptor type 4 7.9 ChEMBL 10.1016/s0960-894x(01)00323-7 10.7270/Q25X29FS 11459656 Tamamura, H; Omagari, A; Hiramatsu, K; Gotoh, K; Kanamoto, T; Xu, Y; Kodama, E; Matsuoka, M; Hattori, T; Yamamoto, N; Nakashima, H; Otaka, A; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50002692 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50002692&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search AZZ 3B9L,3B9M,3BCR,4LHM,2JJ8 35370 103916892 10110 CHEMBL129 DB00495 4825 C07210 ZINC03779042 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50721793 NCCCC[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC1=O InChI=1S/C36H47N9O6/c37-16-4-3-8-27-33(49)43-28(9-5-17-40-36(38)39)34(50)45-29(20-23-10-13-24-6-1-2-7-25(24)18-23)32(48)41-21-31(47)42-30(35(51)44-27)19-22-11-14-26(46)15-12-22/h1-2,6-7,10-15,18,27-30,46H,3-5,8-9,16-17,19-21,37H2,(H,41,48)(H,42,47)(H,43,49)(H,44,51)(H,45,50)(H4,38,39,40)/t27-,28-,29-,30+/m0/s1 KHAJTASUXODXRA-GCXHJFECSA-N 50365983 CHEMBL1956254 C-X-C chemokine receptor type 4 97 ChEMBL 10.1016/j.bmcl.2012.01.134 10.7270/Q2TT4RFS 22365757 Yoshikawa, Y; Kobayashi, K; Oishi, S; Fujii, N; Furuya, T PharmaDesign Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50365983 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50365983&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 5278963 136970045 CHEMBL1956254 ZINC82181746 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50721794 NC(N)=NCCC[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O InChI=1S/C36H47N11O5/c37-35(38)41-16-6-12-26-32(50)45-27(13-7-17-42-36(39)40)33(51)47-28(20-23-14-15-24-10-4-5-11-25(24)18-23)31(49)43-21-30(48)44-29(34(52)46-26)19-22-8-2-1-3-9-22/h1-5,8-11,14-15,18,26-29H,6-7,12-13,16-17,19-21H2,(H,43,49)(H,44,48)(H,45,50)(H,46,52)(H,47,51)(H4,37,38,41)(H4,39,40,42)/t26-,27-,28-,29+/m0/s1 AJLYIQIZHSFNCU-XFTNXAEASA-N 50365984 CHEMBL1956255 C-X-C chemokine receptor type 4 51 ChEMBL 10.1016/j.bmcl.2012.01.134 10.7270/Q2TT4RFS 22365757 Yoshikawa, Y; Kobayashi, K; Oishi, S; Fujii, N; Furuya, T PharmaDesign Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50365984 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50365984&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 11686297 136970046 CHEMBL1956255 ZINC82181747 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50791498 C(N1CCCNCCCCCNCCC1)c1ccc(CN2CCCNCCCCCNCCC2)cc1 InChI=1S/C30H56N6/c1-3-15-31-19-7-23-35(24-8-20-32-16-4-1)27-29-11-13-30(14-12-29)28-36-25-9-21-33-17-5-2-6-18-34-22-10-26-36/h11-14,31-34H,1-10,15-28H2 WFBRGJZVOPIYRZ-UHFFFAOYSA-N 50081395 1,5,11-triazacyclotetradecanyl[4-(1,5,11-triazacyclotetradecanylmethyl)phenyl]methane ;hexahydrobromide;5hydrate::CHEMBL545063 C-X-C chemokine receptor type 4 >35000 ChEMBL 10.1021/jm990211i 10.7270/Q2K0750M 10508445 Bridger, GJ; Skerlj, RT; Padmanabhan, S; Martellucci, SA; Henson, GW; Struyf, S; Witvrouw, M; Schols, D; De Clercq, E AnorMED Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50081395 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50081395&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 478462 103981423 CHEMBL545063 ZINC13557494 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50791499 Oc1cc2CNCCCN(Cc3ccc(CN4CCCNCc5cc(O)cc(CNCCC4)n5)cc3)CCCNCc(c1)n2 InChI=1S/C34H50N8O2/c43-33-17-29-21-35-9-1-13-41(14-2-10-36-22-30(18-33)39-29)25-27-5-7-28(8-6-27)26-42-15-3-11-37-23-31-19-34(44)20-32(40-31)24-38-12-4-16-42/h5-8,17-20,35-38H,1-4,9-16,21-26H2,(H,39,43)(H,40,44) RUCPLYYWZKSLQD-UHFFFAOYSA-N 50081398 7-{4-[15-hydroxy-3,7,11,17-tetraazabicyclo[11.3.1]heptadeca-1(16),13(17),14-trien-7-ylmethyl]benzyl}-3,7,11,17-tetraazabicyclo[11.3.1]heptadeca-1(16),13(17),14-trien-15-ol;octahydrobromide;::CHEMBL555039 C-X-C chemokine receptor type 4 >35000 ChEMBL 10.1021/jm990211i 10.7270/Q2K0750M 10508445 Bridger, GJ; Skerlj, RT; Padmanabhan, S; Martellucci, SA; Henson, GW; Struyf, S; Witvrouw, M; Schols, D; De Clercq, E AnorMED Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50081398 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50081398&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 477103 103981425 CHEMBL555039 ZINC27314048 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50791500 C(N1CCNCCc2cccc(CCNCC1)n2)c1ccc(CN2CCNCCc3cccc(CCNCC2)n3)cc1 InChI=1S/C34H50N8/c1-3-31-11-15-35-19-23-41(24-20-36-16-12-32(4-1)39-31)27-29-7-9-30(10-8-29)28-42-25-21-37-17-13-33-5-2-6-34(40-33)14-18-38-22-26-42/h1-10,35-38H,11-28H2 LYOIMQOXLSAORE-UHFFFAOYSA-N 50369468 CHEMBL1202231 C-X-C chemokine receptor type 4 1 ChEMBL 10.1021/jm990211i 10.7270/Q2K0750M 10508445 Bridger, GJ; Skerlj, RT; Padmanabhan, S; Martellucci, SA; Henson, GW; Struyf, S; Witvrouw, M; Schols, D; De Clercq, E AnorMED Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50369468 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50369468&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 477104 160848570 CHEMBL1202231 ZINC22449454 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50791501 C(N1CCNCc2cccc(CNCC1)n2)c1ccc(CN2CCNCc3cccc(CNCC2)n3)cc1 InChI=1S/C30H42N8/c1-3-27-19-31-11-15-37(16-12-32-20-28(4-1)35-27)23-25-7-9-26(10-8-25)24-38-17-13-33-21-29-5-2-6-30(36-29)22-34-14-18-38/h1-10,31-34H,11-24H2 ZDOWXEHAIGESHP-UHFFFAOYSA-N 50369469 CHEMBL1202230 C-X-C chemokine receptor type 4 4363 ChEMBL 10.1021/jm990211i 10.7270/Q2K0750M 10508445 Bridger, GJ; Skerlj, RT; Padmanabhan, S; Martellucci, SA; Henson, GW; Struyf, S; Witvrouw, M; Schols, D; De Clercq, E AnorMED Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50369469 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50369469&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 477106 160848571 CHEMBL1202230 ZINC22444968 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50791502 Clc1cc2CNCCCN(Cc3ccc(CN4CCCNCc5cc(Cl)cc(CNCCC4)n5)cc3)CCCNCc(c1)n2 InChI=1S/C34H48Cl2N8/c35-29-17-31-21-37-9-1-13-43(14-2-10-38-22-32(18-29)41-31)25-27-5-7-28(8-6-27)26-44-15-3-11-39-23-33-19-30(36)20-34(42-33)24-40-12-4-16-44/h5-8,17-20,37-40H,1-4,9-16,21-26H2 JBTDSVLQLIFMGW-UHFFFAOYSA-N 50081405 15-chloro-3,7,11,17-tetraazabicyclo[11.3.1]heptadeca-1(16),13(17),14-trien-7-yl{4-[15-chloro-3,7,11,17-tetraazabicyclo[11.3.1]heptadeca-1(16),13(17),14-trien-7-ylmethyl]phenyl}methane;hexahydrobromide;acetic acid::CHEMBL538038 C-X-C chemokine receptor type 4 5737 ChEMBL 10.1021/jm990211i 10.7270/Q2K0750M 10508445 Bridger, GJ; Skerlj, RT; Padmanabhan, S; Martellucci, SA; Henson, GW; Struyf, S; Witvrouw, M; Schols, D; De Clercq, E AnorMED Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50081405 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50081405&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 477101 103981428 CHEMBL538038 ZINC27313017 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50791503 C(N1CCCOCCOCCCNCC1)c1ccc(CN2CCCOCCOCCCNCC2)cc1 InChI=1S/C28H50N4O4/c1-9-29-11-15-31(13-3-19-35-23-21-33-17-1)25-27-5-7-28(8-6-27)26-32-14-4-20-36-24-22-34-18-2-10-30-12-16-32/h5-8,29-30H,1-4,9-26H2 ITAZXRCDWWQTOH-UHFFFAOYSA-N 50081409 5,8-dioxa-1,12-diazacyclotetradecanyl[4-(5,8-dioxa-1,12-diazacyclotetradecanylmethyl)phenyl]methane;tetra hydrochloride;2.5 hydrate::CHEMBL545532 C-X-C chemokine receptor type 4 >35000 ChEMBL 10.1021/jm990211i 10.7270/Q2K0750M 10508445 Bridger, GJ; Skerlj, RT; Padmanabhan, S; Martellucci, SA; Henson, GW; Struyf, S; Witvrouw, M; Schols, D; De Clercq, E AnorMED Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50081409 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50081409&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 478460 103981431 CHEMBL545532 ZINC22931048 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50791504 C(N1CCCSCCSCCCNCC1)c1ccc(CN2CCCSCCSCCCNCC2)cc1 InChI=1S/C28H50N4S4/c1-9-29-11-15-31(13-3-19-35-23-21-33-17-1)25-27-5-7-28(8-6-27)26-32-14-4-20-36-24-22-34-18-2-10-30-12-16-32/h5-8,29-30H,1-4,9-26H2 JQNBFKZPAITYOF-UHFFFAOYSA-N 50081397 5,8-dithia-1,12-diazacyclotetradecanyl[4-(5,8-dithia-1,12-diazacyclotetradecanylmethyl)phenyl]methane;tetra hydrochloride::CHEMBL541337 C-X-C chemokine receptor type 4 >35000 ChEMBL 10.1021/jm990211i 10.7270/Q2K0750M 10508445 Bridger, GJ; Skerlj, RT; Padmanabhan, S; Martellucci, SA; Henson, GW; Struyf, S; Witvrouw, M; Schols, D; De Clercq, E AnorMED Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50081397 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50081397&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 478459 103981424 CHEMBL541337 ZINC27310508 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50791505 C(N1CCCNCCNCCNCCC1)c1ccc(CN2CCCNCCNCCNCCC2)cc1 InChI=1S/C28H54N8/c1-9-29-13-17-33-18-14-30-10-2-22-35(21-1)25-27-5-7-28(8-6-27)26-36-23-3-11-31-15-19-34-20-16-32-12-4-24-36/h5-8,29-34H,1-4,9-26H2 IAGWLDWQRRSAIK-UHFFFAOYSA-N 50081406 1,5,8,11-tetraazacyclotetradecanyl[4-(1,5,8,11-tetraazacyclotetradecanylmethyl)phenyl]methane;octahydrobromide;dihydrate::CHEMBL543895 C-X-C chemokine receptor type 4 67 ChEMBL 10.1021/jm990211i 10.7270/Q2K0750M 10508445 Bridger, GJ; Skerlj, RT; Padmanabhan, S; Martellucci, SA; Henson, GW; Struyf, S; Witvrouw, M; Schols, D; De Clercq, E AnorMED Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50081406 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50081406&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 460326 103981429 CHEMBL543895 ZINC27203643 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50791506 C(N1CCCNCc2cncc(CNCCC1)n2)c1ccc(CN2CCCNCc3cncc(CNCCC2)n3)cc1 InChI=1S/C32H48N10/c1-9-33-17-29-21-37-22-30(39-29)18-34-10-2-14-41(13-1)25-27-5-7-28(8-6-27)26-42-15-3-11-35-19-31-23-38-24-32(40-31)20-36-12-4-16-42/h5-8,21-24,33-36H,1-4,9-20,25-26H2 TXAHPNSSLPJBPG-UHFFFAOYSA-N 50081404 3,7,11,15,17-pentaazabicyclo[11.3.1]heptadeca-1(16),13(17),14-trien-7-yl{4-[3,7,11,15,17-pentaazabicyclo[11.3.1]heptadeca-1(16),13(17),14-trien-7-ylmethyl]phenyl}methane;heptahydrobromide;dacetic acid::CHEMBL553964 C-X-C chemokine receptor type 4 >35000 ChEMBL 10.1021/jm990211i 10.7270/Q2K0750M 10508445 Bridger, GJ; Skerlj, RT; Padmanabhan, S; Martellucci, SA; Henson, GW; Struyf, S; Witvrouw, M; Schols, D; De Clercq, E AnorMED Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50081404 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50081404&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 478464 103981427 CHEMBL553964 ZINC27311377 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50839189 CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C11CCN(Cc2ccc3OCCOc3c2)CC1 InChI=1S/C28H41N3O4/c1-2-3-13-31-26(32)23(18-21-7-5-4-6-8-21)29-27(33)28(31)11-14-30(15-12-28)20-22-9-10-24-25(19-22)35-17-16-34-24/h9-10,19,21,23H,2-8,11-18,20H2,1H3,(H,29,33) VBONNDPACFTZMX-UHFFFAOYSA-N 50190513 (RS)-1-butyl-3-(cyclohexylmethyl)-9-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)methyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride::9-(1,4-benzodioxane-6-yl)-1-butyl-3-cyclohexyl-1,4,9-triazaspiro-[5.5]undeca-2,5-dione hydrochloride::CHEMBL556798 C-X-C chemokine receptor type 4 >10000 ChEMBL 10.1021/jm060051s 10.7270/Q2ZG6T1S 16821774 Habashita, H; Kokubo, M; Hamano, S; Hamanaka, N; Toda, M; Shibayama, S; Tada, H; Sagawa, K; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50190513 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50190513&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 491774 104073804 CHEMBL556798 ZINC03965128 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50839190 CCCN1C(=O)[C@@H](CC(C)C)NC(=O)C11CCN(CCCCCCc2ccccc2)CC1 InChI=1S/C27H43N3O2/c1-4-17-30-25(31)24(21-22(2)3)28-26(32)27(30)15-19-29(20-16-27)18-11-6-5-8-12-23-13-9-7-10-14-23/h7,9-10,13-14,22,24H,4-6,8,11-12,15-21H2,1-3H3,(H,28,32)/t24-/m1/s1 FVSCJQKRVWEZKP-XMMPIXPASA-N 50190512 (3R)-3-(2-methylpropyl)-9-(6-phenylhexyl)-1-propyl-1,4,9-triazaspiro[5.5]undeca-2,5-dione hydrochloride::CHEMBL535616 C-X-C chemokine receptor type 4 >10000 ChEMBL 10.1021/jm060051s 10.7270/Q2ZG6T1S 16821774 Habashita, H; Kokubo, M; Hamano, S; Hamanaka, N; Toda, M; Shibayama, S; Tada, H; Sagawa, K; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50190512 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50190512&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 10205915 104073803 CHEMBL535616 ZINC06380232 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50839192 CCCN1C(=O)[C@@H](CC2CCCCC2)NC(=O)C11CCN(CCCCCCc2ccccc2)CC1 InChI=1S/C30H47N3O2/c1-2-20-33-28(34)27(24-26-16-10-6-11-17-26)31-29(35)30(33)18-22-32(23-19-30)21-12-4-3-7-13-25-14-8-5-9-15-25/h5,8-9,14-15,26-27H,2-4,6-7,10-13,16-24H2,1H3,(H,31,35)/t27-/m1/s1 OQSIIUVZTJSDNB-HHHXNRCGSA-N 50190515 (3R)-3-cyclohexylmethyl-9-(6-phenylhexyl)-1-propyl-1,4,9-triazaspiro[5.5]undeca-2,5-dione hydrochloride::CHEMBL537425 C-X-C chemokine receptor type 4 >10000 ChEMBL 10.1021/jm060051s 10.7270/Q2ZG6T1S 16821774 Habashita, H; Kokubo, M; Hamano, S; Hamanaka, N; Toda, M; Shibayama, S; Tada, H; Sagawa, K; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50190515 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50190515&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 11634966 104073806 CHEMBL537425 ZINC35975200 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50839194 CCCN1C(=O)[C@H](CC(C)C)NC(=O)C11CCN(CCCCCCc2ccccc2)CC1 InChI=1S/C27H43N3O2/c1-4-17-30-25(31)24(21-22(2)3)28-26(32)27(30)15-19-29(20-16-27)18-11-6-5-8-12-23-13-9-7-10-14-23/h7,9-10,13-14,22,24H,4-6,8,11-12,15-21H2,1-3H3,(H,28,32)/t24-/m0/s1 FVSCJQKRVWEZKP-DEOSSOPVSA-N 50190514 (3S)-3-(2-methylpropyl)-9-(6-phenylhexyl)-1-propyl-1,4,9-triazaspiro[5.5]undeca-2,5-dione hydrochloride::CHEMBL536063 C-X-C chemokine receptor type 4 >10000 ChEMBL 10.1021/jm060051s 10.7270/Q2ZG6T1S 16821774 Habashita, H; Kokubo, M; Hamano, S; Hamanaka, N; Toda, M; Shibayama, S; Tada, H; Sagawa, K; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50190514 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50190514&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 10184169 104073805 CHEMBL536063 ZINC06380231 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50839198 CC(C)C[C@H]1NC(=O)C2(CCN(Cc3ccccc3)CC2)N(Cc2ccccc2)C1=O InChI=1S/C26H33N3O2/c1-20(2)17-23-24(30)29(19-22-11-7-4-8-12-22)26(25(31)27-23)13-15-28(16-14-26)18-21-9-5-3-6-10-21/h3-12,20,23H,13-19H2,1-2H3,(H,27,31)/t23-/m1/s1 HJMJXSLZAFZRFV-HSZRJFAPSA-N 50190517 (3R)-1,9-dibenzyl-3-(2-methylpropyl)-1,4,9-triazaspiro[5.5]-undeca-2,5-dione hydrochloride::CHEMBL556188 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/jm060051s 10.7270/Q2ZG6T1S 16821774 Habashita, H; Kokubo, M; Hamano, S; Hamanaka, N; Toda, M; Shibayama, S; Tada, H; Sagawa, K; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50190517 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50190517&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 10182763 104073808 CHEMBL556188 ZINC34393923 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50839202 CCCCN1C(=O)C(CC(C)C)NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1 InChI=1S/C29H39N3O3/c1-4-5-17-32-27(33)26(20-22(2)3)30-28(34)29(32)15-18-31(19-16-29)21-23-11-13-25(14-12-23)35-24-9-7-6-8-10-24/h6-14,22,26H,4-5,15-21H2,1-3H3,(H,30,34) SBPSJQLYVXFZFV-UHFFFAOYSA-N 50190520 (RS)-1-butyl-3-isobutyl-9-(4-phenoxybenzyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride::1-butyl-3-(2-methylpropyl)-9-(4-phenoxyphenylmethyl)-1,4,9-triazaspiro[5.5]undeca-2,5-dione hydrochloride::1-butyl-3-isobutyl-9-(4-phenoxy-benzyl)-1,4,9-triaza-spiro[5.5]undecane-2,5-dione hydrochloride::CHEMBL537424::rac-1-Butyl-3-isobutyl-9-(4-phenoxybenzyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride C-X-C chemokine receptor type 4 >10000 ChEMBL 10.1021/jm060051s 10.7270/Q2ZG6T1S 16821774 Habashita, H; Kokubo, M; Hamano, S; Hamanaka, N; Toda, M; Shibayama, S; Tada, H; Sagawa, K; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50190520 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50190520&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 491775 104073811 CHEMBL537424 ZINC28817813 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50839206 CCCCN1C(=O)C(CC(C)C)NC(=O)C11CCN(Cc2ccccc2)CC1 InChI=1S/C23H35N3O2/c1-4-5-13-26-21(27)20(16-18(2)3)24-22(28)23(26)11-14-25(15-12-23)17-19-9-7-6-8-10-19/h6-10,18,20H,4-5,11-17H2,1-3H3,(H,24,28) APZAJCZLYILDDW-UHFFFAOYSA-N 50190522 (RS)-9-benzyl-1-butyl-3-isobutyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride::9-benzyl-1-butyl-3-(2-methylpropyl)-1,4,9-triazaspiro[5.5]-undeca-2,5-dione hydrochloride::CHEMBL557199::rac-9-Benzyl-1-butyl-3-isobutyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/jm060051s 10.7270/Q2ZG6T1S 16821774 Habashita, H; Kokubo, M; Hamano, S; Hamanaka, N; Toda, M; Shibayama, S; Tada, H; Sagawa, K; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50190522 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50190522&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 10159218 104073813 CHEMBL557199 ZINC34350292 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50839213 CCCN1C(=O)C(CC(C)C)NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1 InChI=1S/C28H37N3O3/c1-4-16-31-26(32)25(19-21(2)3)29-27(33)28(31)14-17-30(18-15-28)20-22-10-12-24(13-11-22)34-23-8-6-5-7-9-23/h5-13,21,25H,4,14-20H2,1-3H3,(H,29,33) KUHZERKUYOBQDZ-UHFFFAOYSA-N 50190524 3-(2-methylpropyl)-9-(4-phenoxyphenylmethyl)-1-propyl-1,4,9-triazaspiro[5.5]undeca-2,5-dione hydrochloride::CHEMBL557150::rac-3-Isobutyl-9-(4-phenoxybenzyl)-1-propyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/jm060051s 10.7270/Q2ZG6T1S 16821774 Habashita, H; Kokubo, M; Hamano, S; Hamanaka, N; Toda, M; Shibayama, S; Tada, H; Sagawa, K; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50190524 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50190524&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 10228761 104073815 CHEMBL557150 ZINC38157780 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50839215 CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1 InChI=1S/C32H43N3O3/c1-2-3-20-35-30(36)29(23-25-10-6-4-7-11-25)33-31(37)32(35)18-21-34(22-19-32)24-26-14-16-28(17-15-26)38-27-12-8-5-9-13-27/h5,8-9,12-17,25,29H,2-4,6-7,10-11,18-24H2,1H3,(H,33,37) UBOSWZVKFNAYOS-UHFFFAOYSA-N 50190516 (RS)-1-butyl-3-(cyclohexylmethyl)-9-(4-phenoxybenzyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride::1-butyl-3-cyclohexylmethyl-9-(4-phenoxy-benzyl)-1,4,9-triaza-spiro[5.5]undecane-2,5-dione hydrochloride::1-butyl-3-cyclohexylmethyl-9-(4-phenoxyphenylmethyl)-1,4,9-triazaspiro[5.5]undeca-2,5-dione hydrochloride::CHEMBL536743::rac-1-Butyl-3-(cyclohexylmethyl)-9-(4-phenoxybenzyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride C-X-C chemokine receptor type 4 >10000 ChEMBL 10.1021/jm060051s 10.7270/Q2ZG6T1S 16821774 Habashita, H; Kokubo, M; Hamano, S; Hamanaka, N; Toda, M; Shibayama, S; Tada, H; Sagawa, K; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50190516 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50190516&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 10280945 104073807 CHEMBL536743 ZINC38152308 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50839218 CCCCN1C(=O)C(CC(C)C)NC(=O)C11CCN(CCCCCCc2ccccc2)CC1 InChI=1S/C28H45N3O2/c1-4-5-19-31-26(32)25(22-23(2)3)29-27(33)28(31)16-20-30(21-17-28)18-12-7-6-9-13-24-14-10-8-11-15-24/h8,10-11,14-15,23,25H,4-7,9,12-13,16-22H2,1-3H3,(H,29,33) FDWPPSXZXOZKJQ-UHFFFAOYSA-N 50190518 1-butyl-3-(2-methylpropyl)-9-(6-phenylhexyl)-1,4,9-triazaspiro-[5.5]undeca-2,5-dione hydrochloride::CHEMBL536288::rac-1-Butyl-3-isobutyl-9-(6-phenylhexyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride C-X-C chemokine receptor type 4 >10000 ChEMBL 10.1021/jm060051s 10.7270/Q2ZG6T1S 16821774 Habashita, H; Kokubo, M; Hamano, S; Hamanaka, N; Toda, M; Shibayama, S; Tada, H; Sagawa, K; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50190518 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50190518&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 491773 104073809 CHEMBL536288 ZINC32063524 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50839224 CCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C11CCN(CCCCCCc2ccccc2)CC1 InChI=1S/C30H47N3O2/c1-2-20-33-28(34)27(24-26-16-10-6-11-17-26)31-29(35)30(33)18-22-32(23-19-30)21-12-4-3-7-13-25-14-8-5-9-15-25/h5,8-9,14-15,26-27H,2-4,6-7,10-13,16-24H2,1H3,(H,31,35)/t27-/m0/s1 OQSIIUVZTJSDNB-MHZLTWQESA-N 50190519 (3S)-3-cyclohexylmethyl-9-(6-phenylhexyl)-1-propyl-1,4,9-triazaspiro[5.5]undeca-2,5-dione hydrochloride::CHEMBL538084 C-X-C chemokine receptor type 4 >10000 ChEMBL 10.1021/jm060051s 10.7270/Q2ZG6T1S 16821774 Habashita, H; Kokubo, M; Hamano, S; Hamanaka, N; Toda, M; Shibayama, S; Tada, H; Sagawa, K; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50190519 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50190519&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 11598797 104073810 CHEMBL538084 ZINC35904178 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50839234 CCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C11CCN(CCCCCCc2ccccc2)CC1 InChI=1S/C30H47N3O2/c1-2-20-33-28(34)27(24-26-16-10-6-11-17-26)31-29(35)30(33)18-22-32(23-19-30)21-12-4-3-7-13-25-14-8-5-9-15-25/h5,8-9,14-15,26-27H,2-4,6-7,10-13,16-24H2,1H3,(H,31,35)/t27-/m0/s1 OQSIIUVZTJSDNB-MHZLTWQESA-N 50190519 (3S)-3-cyclohexylmethyl-9-(6-phenylhexyl)-1-propyl-1,4,9-triazaspiro[5.5]undeca-2,5-dione hydrochloride::CHEMBL538084 C-X-C chemokine receptor type 4 >10000 ChEMBL 10.1021/jm060051s 10.7270/Q2ZG6T1S 16821774 Habashita, H; Kokubo, M; Hamano, S; Hamanaka, N; Toda, M; Shibayama, S; Tada, H; Sagawa, K; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50190519 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50190519&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 11598797 104073810 CHEMBL538084 ZINC35904178 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50839235 CC(C)C[C@@H]1NC(=O)C2(CCN(Cc3ccccc3)CC2)N(Cc2ccccc2)C1=O InChI=1S/C26H33N3O2/c1-20(2)17-23-24(30)29(19-22-11-7-4-8-12-22)26(25(31)27-23)13-15-28(16-14-26)18-21-9-5-3-6-10-21/h3-12,20,23H,13-19H2,1-2H3,(H,27,31)/t23-/m0/s1 HJMJXSLZAFZRFV-QHCPKHFHSA-N 50190526 (3S)-1,9-dibenzyl-3-(2-methylpropyl)-1,4,9-triazaspiro[5.5]-undeca-2,5-dione hydrochloride::CHEMBL539854 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/jm060051s 10.7270/Q2ZG6T1S 16821774 Habashita, H; Kokubo, M; Hamano, S; Hamanaka, N; Toda, M; Shibayama, S; Tada, H; Sagawa, K; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50190526 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50190526&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 10204589 104073817 CHEMBL539854 ZINC38157781 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50839236 CCCCN1C(=O)C(CC(C)C)NC(=O)C11CCN(CCCCCCc2ccccc2)CC1 InChI=1S/C28H45N3O2/c1-4-5-19-31-26(32)25(22-23(2)3)29-27(33)28(31)16-20-30(21-17-28)18-12-7-6-9-13-24-14-10-8-11-15-24/h8,10-11,14-15,23,25H,4-7,9,12-13,16-22H2,1-3H3,(H,29,33) FDWPPSXZXOZKJQ-UHFFFAOYSA-N 50190518 1-butyl-3-(2-methylpropyl)-9-(6-phenylhexyl)-1,4,9-triazaspiro-[5.5]undeca-2,5-dione hydrochloride::CHEMBL536288::rac-1-Butyl-3-isobutyl-9-(6-phenylhexyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride C-X-C chemokine receptor type 4 6700 ChEMBL 10.1021/jm060051s 10.7270/Q2ZG6T1S 16821774 Habashita, H; Kokubo, M; Hamano, S; Hamanaka, N; Toda, M; Shibayama, S; Tada, H; Sagawa, K; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50190518 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50190518&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 491773 104073809 CHEMBL536288 ZINC32063524 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50839237 CCCN1C(=O)C(CC(C)C)NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1 InChI=1S/C28H37N3O3/c1-4-16-31-26(32)25(19-21(2)3)29-27(33)28(31)14-17-30(18-15-28)20-22-10-12-24(13-11-22)34-23-8-6-5-7-9-23/h5-13,21,25H,4,14-20H2,1-3H3,(H,29,33) KUHZERKUYOBQDZ-UHFFFAOYSA-N 50190524 3-(2-methylpropyl)-9-(4-phenoxyphenylmethyl)-1-propyl-1,4,9-triazaspiro[5.5]undeca-2,5-dione hydrochloride::CHEMBL557150::rac-3-Isobutyl-9-(4-phenoxybenzyl)-1-propyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/jm060051s 10.7270/Q2ZG6T1S 16821774 Habashita, H; Kokubo, M; Hamano, S; Hamanaka, N; Toda, M; Shibayama, S; Tada, H; Sagawa, K; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50190524 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50190524&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 10228761 104073815 CHEMBL557150 ZINC38157780 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50839238 CCCN1C(=O)[C@@H](CC2CCCCC2)NC(=O)C11CCN(CCCCCCc2ccccc2)CC1 InChI=1S/C30H47N3O2/c1-2-20-33-28(34)27(24-26-16-10-6-11-17-26)31-29(35)30(33)18-22-32(23-19-30)21-12-4-3-7-13-25-14-8-5-9-15-25/h5,8-9,14-15,26-27H,2-4,6-7,10-13,16-24H2,1H3,(H,31,35)/t27-/m1/s1 OQSIIUVZTJSDNB-HHHXNRCGSA-N 50190515 (3R)-3-cyclohexylmethyl-9-(6-phenylhexyl)-1-propyl-1,4,9-triazaspiro[5.5]undeca-2,5-dione hydrochloride::CHEMBL537425 C-X-C chemokine receptor type 4 >10000 ChEMBL 10.1021/jm060051s 10.7270/Q2ZG6T1S 16821774 Habashita, H; Kokubo, M; Hamano, S; Hamanaka, N; Toda, M; Shibayama, S; Tada, H; Sagawa, K; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50190515 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50190515&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 11634966 104073806 CHEMBL537425 ZINC35975200 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50839240 CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C11CCN(Cc2ccc(OCC=C)cc2)CC1 InChI=1S/C29H43N3O3/c1-3-5-17-32-27(33)26(21-23-9-7-6-8-10-23)30-28(34)29(32)15-18-31(19-16-29)22-24-11-13-25(14-12-24)35-20-4-2/h4,11-14,23,26H,2-3,5-10,15-22H2,1H3,(H,30,34) JJNYBXIEFAYFKB-UHFFFAOYSA-N 50190521 9-(4-allyloxyphenylmethyl)-1-butyl-3-cyclohexyl-1,4,9-triazaspiro[5.5]undeca-2,5-dione hydrochloride::CHEMBL540108 C-X-C chemokine receptor type 4 >10000 ChEMBL 10.1021/jm060051s 10.7270/Q2ZG6T1S 16821774 Habashita, H; Kokubo, M; Hamano, S; Hamanaka, N; Toda, M; Shibayama, S; Tada, H; Sagawa, K; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50190521 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50190521&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 10208080 104073812 CHEMBL540108 ZINC38157779 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50839241 CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1 InChI=1S/C32H43N3O3/c1-2-3-20-35-30(36)29(23-25-10-6-4-7-11-25)33-31(37)32(35)18-21-34(22-19-32)24-26-14-16-28(17-15-26)38-27-12-8-5-9-13-27/h5,8-9,12-17,25,29H,2-4,6-7,10-11,18-24H2,1H3,(H,33,37) UBOSWZVKFNAYOS-UHFFFAOYSA-N 50190516 (RS)-1-butyl-3-(cyclohexylmethyl)-9-(4-phenoxybenzyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride::1-butyl-3-cyclohexylmethyl-9-(4-phenoxy-benzyl)-1,4,9-triaza-spiro[5.5]undecane-2,5-dione hydrochloride::1-butyl-3-cyclohexylmethyl-9-(4-phenoxyphenylmethyl)-1,4,9-triazaspiro[5.5]undeca-2,5-dione hydrochloride::CHEMBL536743::rac-1-Butyl-3-(cyclohexylmethyl)-9-(4-phenoxybenzyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride C-X-C chemokine receptor type 4 >10000 ChEMBL 10.1021/jm060051s 10.7270/Q2ZG6T1S 16821774 Habashita, H; Kokubo, M; Hamano, S; Hamanaka, N; Toda, M; Shibayama, S; Tada, H; Sagawa, K; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50190516 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50190516&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 10280945 104073807 CHEMBL536743 ZINC38152308 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50839249 CCCCN1C(=O)C(CC(C)C)NC(=O)C11CCN(Cc2ccccc2)CC1 InChI=1S/C23H35N3O2/c1-4-5-13-26-21(27)20(16-18(2)3)24-22(28)23(26)11-14-25(15-12-23)17-19-9-7-6-8-10-19/h6-10,18,20H,4-5,11-17H2,1-3H3,(H,24,28) APZAJCZLYILDDW-UHFFFAOYSA-N 50190522 (RS)-9-benzyl-1-butyl-3-isobutyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride::9-benzyl-1-butyl-3-(2-methylpropyl)-1,4,9-triazaspiro[5.5]-undeca-2,5-dione hydrochloride::CHEMBL557199::rac-9-Benzyl-1-butyl-3-isobutyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride C-X-C chemokine receptor type 4 >10000 ChEMBL 10.1021/jm060051s 10.7270/Q2ZG6T1S 16821774 Habashita, H; Kokubo, M; Hamano, S; Hamanaka, N; Toda, M; Shibayama, S; Tada, H; Sagawa, K; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50190522 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50190522&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 10159218 104073813 CHEMBL557199 ZINC34350292 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50839255 CCCCN1C(=O)C(CC(C)C)NC(=O)C11CCN(Cc2ccc3OCCOc3c2)CC1 InChI=1S/C25H37N3O4/c1-4-5-10-28-23(29)20(15-18(2)3)26-24(30)25(28)8-11-27(12-9-25)17-19-6-7-21-22(16-19)32-14-13-31-21/h6-7,16,18,20H,4-5,8-15,17H2,1-3H3,(H,26,30) OYYLRSIEFZQBJI-UHFFFAOYSA-N 50190523 1-butyl-9-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)methyl)-3-isobutyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride::9-(1,4-benzodioxane-6-yl)-1-butyl-3-(2-methylpropyl)-1,4,9-triazaspiro[5.5]undeca-2,5-dione hydrochloride::CHEMBL540366 C-X-C chemokine receptor type 4 >10000 ChEMBL 10.1021/jm060051s 10.7270/Q2ZG6T1S 16821774 Habashita, H; Kokubo, M; Hamano, S; Hamanaka, N; Toda, M; Shibayama, S; Tada, H; Sagawa, K; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50190523 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50190523&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 10277467 104073814 CHEMBL540366 ZINC03989620 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50839256 CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C11CCN(Cc2ccc(OCC=C)cc2)CC1 InChI=1S/C29H43N3O3/c1-3-5-17-32-27(33)26(21-23-9-7-6-8-10-23)30-28(34)29(32)15-18-31(19-16-29)22-24-11-13-25(14-12-24)35-20-4-2/h4,11-14,23,26H,2-3,5-10,15-22H2,1H3,(H,30,34) JJNYBXIEFAYFKB-UHFFFAOYSA-N 50190521 9-(4-allyloxyphenylmethyl)-1-butyl-3-cyclohexyl-1,4,9-triazaspiro[5.5]undeca-2,5-dione hydrochloride::CHEMBL540108 C-X-C chemokine receptor type 4 >10000 ChEMBL 10.1021/jm060051s 10.7270/Q2ZG6T1S 16821774 Habashita, H; Kokubo, M; Hamano, S; Hamanaka, N; Toda, M; Shibayama, S; Tada, H; Sagawa, K; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50190521 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50190521&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 10208080 104073812 CHEMBL540108 ZINC38157779 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50839261 CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C11CCN(Cc2ccc3OCCOc3c2)CC1 InChI=1S/C28H41N3O4/c1-2-3-13-31-26(32)23(18-21-7-5-4-6-8-21)29-27(33)28(31)11-14-30(15-12-28)20-22-9-10-24-25(19-22)35-17-16-34-24/h9-10,19,21,23H,2-8,11-18,20H2,1H3,(H,29,33) VBONNDPACFTZMX-UHFFFAOYSA-N 50190513 (RS)-1-butyl-3-(cyclohexylmethyl)-9-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)methyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride::9-(1,4-benzodioxane-6-yl)-1-butyl-3-cyclohexyl-1,4,9-triazaspiro-[5.5]undeca-2,5-dione hydrochloride::CHEMBL556798 C-X-C chemokine receptor type 4 >10000 ChEMBL 10.1021/jm060051s 10.7270/Q2ZG6T1S 16821774 Habashita, H; Kokubo, M; Hamano, S; Hamanaka, N; Toda, M; Shibayama, S; Tada, H; Sagawa, K; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50190513 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50190513&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 491774 104073804 CHEMBL556798 ZINC03965128 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50839263 CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C11CCN(Cc2ccc(OC)cc2)CC1 InChI=1S/C27H41N3O3/c1-3-4-16-30-25(31)24(19-21-8-6-5-7-9-21)28-26(32)27(30)14-17-29(18-15-27)20-22-10-12-23(33-2)13-11-22/h10-13,21,24H,3-9,14-20H2,1-2H3,(H,28,32) KSJFBUQQDKCVSE-UHFFFAOYSA-N 50190525 (RS)-1-butyl-3-(cyclohexylmethyl)-9-(4-methoxybenzyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride::1-butyl-3-cyclohexylmethyl-9-(4-methoxyphenylmethyl)-1,4,9-triazaspiro[5.5]undeca-2,5-dione hydrochloride::CHEMBL557015::rac-1-Butyl-3-(cyclohexylmethyl)-9-(4-methoxybenzyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dionehydrochloride C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/jm060051s 10.7270/Q2ZG6T1S 16821774 Habashita, H; Kokubo, M; Hamano, S; Hamanaka, N; Toda, M; Shibayama, S; Tada, H; Sagawa, K; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50190525 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50190525&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 10117348 104073816 CHEMBL557015 ZINC34250074 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50839267 CCCCN1C(=O)C(CC(C)C)NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1 InChI=1S/C29H39N3O3/c1-4-5-17-32-27(33)26(20-22(2)3)30-28(34)29(32)15-18-31(19-16-29)21-23-11-13-25(14-12-23)35-24-9-7-6-8-10-24/h6-14,22,26H,4-5,15-21H2,1-3H3,(H,30,34) SBPSJQLYVXFZFV-UHFFFAOYSA-N 50190520 (RS)-1-butyl-3-isobutyl-9-(4-phenoxybenzyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride::1-butyl-3-(2-methylpropyl)-9-(4-phenoxyphenylmethyl)-1,4,9-triazaspiro[5.5]undeca-2,5-dione hydrochloride::1-butyl-3-isobutyl-9-(4-phenoxy-benzyl)-1,4,9-triaza-spiro[5.5]undecane-2,5-dione hydrochloride::CHEMBL537424::rac-1-Butyl-3-isobutyl-9-(4-phenoxybenzyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride C-X-C chemokine receptor type 4 >10000 ChEMBL 10.1021/jm060051s 10.7270/Q2ZG6T1S 16821774 Habashita, H; Kokubo, M; Hamano, S; Hamanaka, N; Toda, M; Shibayama, S; Tada, H; Sagawa, K; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50190520 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50190520&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 491775 104073811 CHEMBL537424 ZINC28817813 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50839270 CCCCN1C(=O)C(CC(C)C)NC(=O)C11CCN(Cc2ccc3OCCOc3c2)CC1 InChI=1S/C25H37N3O4/c1-4-5-10-28-23(29)20(15-18(2)3)26-24(30)25(28)8-11-27(12-9-25)17-19-6-7-21-22(16-19)32-14-13-31-21/h6-7,16,18,20H,4-5,8-15,17H2,1-3H3,(H,26,30) OYYLRSIEFZQBJI-UHFFFAOYSA-N 50190523 1-butyl-9-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)methyl)-3-isobutyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride::9-(1,4-benzodioxane-6-yl)-1-butyl-3-(2-methylpropyl)-1,4,9-triazaspiro[5.5]undeca-2,5-dione hydrochloride::CHEMBL540366 C-X-C chemokine receptor type 4 >10000 ChEMBL 10.1021/jm060051s 10.7270/Q2ZG6T1S 16821774 Habashita, H; Kokubo, M; Hamano, S; Hamanaka, N; Toda, M; Shibayama, S; Tada, H; Sagawa, K; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50190523 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50190523&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 10277467 104073814 CHEMBL540366 ZINC03989620 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50839274 CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C11CCN(Cc2ccc(OC)cc2)CC1 InChI=1S/C27H41N3O3/c1-3-4-16-30-25(31)24(19-21-8-6-5-7-9-21)28-26(32)27(30)14-17-29(18-15-27)20-22-10-12-23(33-2)13-11-22/h10-13,21,24H,3-9,14-20H2,1-2H3,(H,28,32) KSJFBUQQDKCVSE-UHFFFAOYSA-N 50190525 (RS)-1-butyl-3-(cyclohexylmethyl)-9-(4-methoxybenzyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride::1-butyl-3-cyclohexylmethyl-9-(4-methoxyphenylmethyl)-1,4,9-triazaspiro[5.5]undeca-2,5-dione hydrochloride::CHEMBL557015::rac-1-Butyl-3-(cyclohexylmethyl)-9-(4-methoxybenzyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dionehydrochloride C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/jm060051s 10.7270/Q2ZG6T1S 16821774 Habashita, H; Kokubo, M; Hamano, S; Hamanaka, N; Toda, M; Shibayama, S; Tada, H; Sagawa, K; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50190525 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50190525&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 10117348 104073816 CHEMBL557015 ZINC34250074 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50934373 NC(N)=NCCC[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O InChI=1S/C36H47N11O6/c37-35(38)41-15-3-7-26-32(51)45-27(8-4-16-42-36(39)40)33(52)47-28(19-22-9-12-23-5-1-2-6-24(23)17-22)31(50)43-20-30(49)44-29(34(53)46-26)18-21-10-13-25(48)14-11-21/h1-2,5-6,9-14,17,26-29,48H,3-4,7-8,15-16,18-20H2,(H,43,50)(H,44,49)(H,45,51)(H,46,53)(H,47,52)(H4,37,38,41)(H4,39,40,42)/t26-,27-,28-,29+/m0/s1 MBXBICVKLVYNKD-XFTNXAEASA-N 50166106 CHEMBL436283::N-{3-[(2S,5S,8S,14R)-5-(3-Guanidino-propyl)-14-(4-hydroxy-benzyl)-8-naphthalen-2-ylmethyl-3,6,9,12,15-pentaoxo-1,4,7,10,13pentaaza-cyclopentadec-2-yl]-propyl}-guanidine::cyclo(-D-Tyr-Arg-Arg-Nal-Gly-) C-X-C chemokine receptor type 4 84 ChEMBL 10.1021/jm2016914 10.7270/Q2FJ2HTW 22352868 Kobayashi, K; Oishi, S; Hayashi, R; Tomita, K; Kubo, T; Tanahara, N; Ohno, H; Yoshikawa, Y; Furuya, T; Hoshino, M; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50166106 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50166106&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 5275843 104051514 CHEMBL436283 ZINC03925712 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50934374 NC(N)=NCCC[C@@H]1NC(=O)[C@@H](CCCN=C(N)N)\C=C\[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O InChI=1S/C37H48N10O5/c38-36(39)42-17-3-7-26-13-14-28(20-23-10-15-29(48)16-11-23)45-32(49)22-44-34(51)31(21-24-9-12-25-5-1-2-6-27(25)19-24)47-35(52)30(46-33(26)50)8-4-18-43-37(40)41/h1-2,5-6,9-16,19,26,28,30-31,48H,3-4,7-8,17-18,20-22H2,(H,44,51)(H,45,49)(H,46,50)(H,47,52)(H4,38,39,42)(H4,40,41,43)/b14-13+/t26-,28-,30-,31-/m0/s1 AUERTOWQSJBPPO-SGMIOLMCSA-N 50383298 CHEMBL2029608 C-X-C chemokine receptor type 4 330 ChEMBL 10.1021/jm2016914 10.7270/Q2FJ2HTW 22352868 Kobayashi, K; Oishi, S; Hayashi, R; Tomita, K; Kubo, T; Tanahara, N; Ohno, H; Yoshikawa, Y; Furuya, T; Hoshino, M; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50383298 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50383298&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 70694123 160862381 CHEMBL2029608 ZINC84669466 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50934375 C\C1=C/[C@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@@H]1Cc1ccc(O)cc1 InChI=1S/C38H50N10O5/c1-23-18-28(8-4-16-43-37(39)40)34(51)47-30(9-5-17-44-38(41)42)36(53)48-32(21-25-10-13-26-6-2-3-7-27(26)19-25)35(52)45-22-33(50)46-31(23)20-24-11-14-29(49)15-12-24/h2-3,6-7,10-15,18-19,28,30-32,49H,4-5,8-9,16-17,20-22H2,1H3,(H,45,52)(H,46,50)(H,47,51)(H,48,53)(H4,39,40,43)(H4,41,42,44)/b23-18+/t28-,30-,31+,32-/m0/s1 PHCHIHSVNIVYCH-ILYQADPTSA-N 50383299 CHEMBL2029609 C-X-C chemokine receptor type 4 500 ChEMBL 10.1021/jm2016914 10.7270/Q2FJ2HTW 22352868 Kobayashi, K; Oishi, S; Hayashi, R; Tomita, K; Kubo, T; Tanahara, N; Ohno, H; Yoshikawa, Y; Furuya, T; Hoshino, M; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50383299 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50383299&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 70696255 160862382 CHEMBL2029609 ZINC84652670 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50934376 C\C1=C(C)/[C@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@@H]1Cc1ccc(O)cc1 InChI=1S/C39H52N10O5/c1-23-24(2)32(20-25-12-15-29(50)16-13-25)47-34(51)22-46-36(53)33(21-26-11-14-27-7-3-4-8-28(27)19-26)49-37(54)31(10-6-18-45-39(42)43)48-35(52)30(23)9-5-17-44-38(40)41/h3-4,7-8,11-16,19,30-33,50H,5-6,9-10,17-18,20-22H2,1-2H3,(H,46,53)(H,47,51)(H,48,52)(H,49,54)(H4,40,41,44)(H4,42,43,45)/b24-23+/t30-,31-,32+,33-/m0/s1 QRXBSCHWFCNZSX-MXRRXXMQSA-N 50383300 CHEMBL2029610 C-X-C chemokine receptor type 4 2500 ChEMBL 10.1021/jm2016914 10.7270/Q2FJ2HTW 22352868 Kobayashi, K; Oishi, S; Hayashi, R; Tomita, K; Kubo, T; Tanahara, N; Ohno, H; Yoshikawa, Y; Furuya, T; Hoshino, M; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50383300 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50383300&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 70694124 160862383 CHEMBL2029610 ZINC84652671 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50934377 C\C1=C(C)/[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@@H]1Cc1ccc(O)cc1 InChI=1S/C39H52N10O5/c1-23-24(2)32(20-25-12-15-29(50)16-13-25)47-34(51)22-46-36(53)33(21-26-11-14-27-7-3-4-8-28(27)19-26)49-37(54)31(10-6-18-45-39(42)43)48-35(52)30(23)9-5-17-44-38(40)41/h3-4,7-8,11-16,19,30-33,50H,5-6,9-10,17-18,20-22H2,1-2H3,(H,46,53)(H,47,51)(H,48,52)(H,49,54)(H4,40,41,44)(H4,42,43,45)/b24-23+/t30-,31+,32-,33+/m1/s1 QRXBSCHWFCNZSX-UOWXLKRASA-N 50383301 CHEMBL2029611 C-X-C chemokine receptor type 4 100 ChEMBL 10.1021/jm2016914 10.7270/Q2FJ2HTW 22352868 Kobayashi, K; Oishi, S; Hayashi, R; Tomita, K; Kubo, T; Tanahara, N; Ohno, H; Yoshikawa, Y; Furuya, T; Hoshino, M; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50383301 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50383301&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 70694125 160862384 CHEMBL2029611 ZINC84669596 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50934378 NC(N)=NCCC[C@H]1CC[C@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC1=O InChI=1S/C37H50N10O5/c38-36(39)42-17-3-7-26-13-14-28(20-23-10-15-29(48)16-11-23)45-32(49)22-44-34(51)31(21-24-9-12-25-5-1-2-6-27(25)19-24)47-35(52)30(46-33(26)50)8-4-18-43-37(40)41/h1-2,5-6,9-12,15-16,19,26,28,30-31,48H,3-4,7-8,13-14,17-18,20-22H2,(H,44,51)(H,45,49)(H,46,50)(H,47,52)(H4,38,39,42)(H4,40,41,43)/t26-,28+,30-,31-/m0/s1 JHWYHVSQDNGAPR-XKKQCYTCSA-N 50383302 CHEMBL2029612 C-X-C chemokine receptor type 4 >10000 ChEMBL 10.1021/jm2016914 10.7270/Q2FJ2HTW 22352868 Kobayashi, K; Oishi, S; Hayashi, R; Tomita, K; Kubo, T; Tanahara, N; Ohno, H; Yoshikawa, Y; Furuya, T; Hoshino, M; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50383302 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50383302&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 70685748 160862385 CHEMBL2029612 ZINC84758165 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50934379 CN1[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C1=O InChI=1S/C37H49N11O6/c1-48-30(9-5-17-43-37(40)41)34(53)46-27(8-4-16-42-36(38)39)33(52)47-28(20-23-10-13-24-6-2-3-7-25(24)18-23)32(51)44-21-31(50)45-29(35(48)54)19-22-11-14-26(49)15-12-22/h2-3,6-7,10-15,18,27-30,49H,4-5,8-9,16-17,19-21H2,1H3,(H,44,51)(H,45,50)(H,46,53)(H,47,52)(H4,38,39,42)(H4,40,41,43)/t27-,28-,29+,30-/m0/s1 FZOZRYUHOMFSGD-ZXYZSCNASA-N 50383303 CHEMBL2029613 C-X-C chemokine receptor type 4 290 ChEMBL 10.1021/jm2016914 10.7270/Q2FJ2HTW 22352868 Kobayashi, K; Oishi, S; Hayashi, R; Tomita, K; Kubo, T; Tanahara, N; Ohno, H; Yoshikawa, Y; Furuya, T; Hoshino, M; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50383303 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50383303&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 10010259 160862386 CHEMBL2029613 ZINC84758166 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50934380 CN1[C@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C1=O InChI=1S/C37H49N11O6/c1-48-30(9-5-17-43-37(40)41)34(53)46-27(8-4-16-42-36(38)39)33(52)47-28(20-23-10-13-24-6-2-3-7-25(24)18-23)32(51)44-21-31(50)45-29(35(48)54)19-22-11-14-26(49)15-12-22/h2-3,6-7,10-15,18,27-30,49H,4-5,8-9,16-17,19-21H2,1H3,(H,44,51)(H,45,50)(H,46,53)(H,47,52)(H4,38,39,42)(H4,40,41,43)/t27-,28-,29+,30+/m0/s1 FZOZRYUHOMFSGD-VZNYXHRGSA-N 50363984 CHEMBL1949730 C-X-C chemokine receptor type 4 63 ChEMBL 10.1021/jm2016914 10.7270/Q2FJ2HTW 22352868 Kobayashi, K; Oishi, S; Hayashi, R; Tomita, K; Kubo, T; Tanahara, N; Ohno, H; Yoshikawa, Y; Furuya, T; Hoshino, M; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50363984 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50363984&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 10372866 136968046 CHEMBL1949730 ZINC82154522 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50924501 NCCCC[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC[C@H](CC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC1=O)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N InChI=1S/C91H142N32O18S2/c92-35-5-3-17-61-77(131)117-65(18-4-6-36-93)84(138)123-43-13-24-71(123)83(137)121-68(46-52-28-33-58(125)34-29-52)80(134)115-63(21-10-39-108-88(99)100)75(129)112-60(19-8-42-111-91(105)141)72(126)48-56(73(127)118-66(85(139)140)23-12-41-110-90(103)104)49-142-143-50-70(82(136)120-67(45-51-26-31-57(124)32-27-51)79(133)116-64(76(130)114-61)22-11-40-109-89(101)102)122-81(135)69(47-53-25-30-54-14-1-2-15-55(54)44-53)119-78(132)62(20-9-38-107-87(97)98)113-74(128)59(94)16-7-37-106-86(95)96/h1-2,14-15,25-34,44,56,59-71,124-125H,3-13,16-24,35-43,45-50,92-94H2,(H,112,129)(H,113,128)(H,114,130)(H,115,134)(H,116,133)(H,117,131)(H,118,127)(H,119,132)(H,120,136)(H,121,137)(H,122,135)(H,139,140)(H4,95,96,106)(H4,97,98,107)(H4,99,100,108)(H4,101,102,109)(H4,103,104,110)(H3,105,111,141)/t56-,59-,60-,61-,62-,63-,64-,65+,66-,67-,68-,69-,70-,71-/m0/s1 GOSCGOWKOMJBES-AXGRBTNASA-N 50379088 CHEMBL2012525 C-X-C chemokine receptor type 4 1.56 ChEMBL 10.1021/ml200084n 10.7270/Q2W096XP 21841963 Lefrançois, M; Lefebvre, MR; Saint-Onge, G; Boulais, PE; Lamothe, S; Leduc, R; Lavigne, P; Heveker, N; Escher, E TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50379088 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50379088&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 91930026 160858171 CHEMBL2012525 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50924502 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCC[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC[C@H](CC1=O)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N InChI=1S/C128H201N39O27S2/c1-71(2)60-92(157-116(186)98(68-169)163-120(190)103(72(3)4)165-119(189)101-34-20-58-166(101)121(191)84(133)24-7-11-49-129)111(181)162-97(67-168)115(185)158-93(62-73-36-43-80(170)44-37-73)106(176)144-52-14-10-26-85-102(173)66-79(104(174)156-91(123(193)194)32-19-57-149-128(142)143)69-195-196-70-99(164-114(184)96(65-76-35-42-77-22-5-6-23-78(77)61-76)159-110(180)87(29-16-54-146-125(136)137)151-105(175)83(132)25-15-53-145-124(134)135)117(187)160-94(63-74-38-45-81(171)46-39-74)112(182)154-89(31-18-56-148-127(140)141)108(178)152-86(27-8-12-50-130)109(179)155-90(28-9-13-51-131)122(192)167-59-21-33-100(167)118(188)161-95(64-75-40-47-82(172)48-41-75)113(183)153-88(107(177)150-85)30-17-55-147-126(138)139/h5-6,22-23,35-48,61,71-72,79,83-101,103,168-172H,7-21,24-34,49-60,62-70,129-133H2,1-4H3,(H,144,176)(H,150,177)(H,151,175)(H,152,178)(H,153,183)(H,154,182)(H,155,179)(H,156,174)(H,157,186)(H,158,185)(H,159,180)(H,160,187)(H,161,188)(H,162,181)(H,163,190)(H,164,184)(H,165,189)(H,193,194)(H4,134,135,145)(H4,136,137,146)(H4,138,139,147)(H4,140,141,148)(H4,142,143,149)/t79-,83-,84-,85-,86-,87-,88-,89-,90+,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,103-/m0/s1 QSGNCKCWJSWXFU-XZAMJADMSA-N 50379089 CHEMBL2012526 C-X-C chemokine receptor type 4 2.22 ChEMBL 10.1021/ml200084n 10.7270/Q2W096XP 21841963 Lefrançois, M; Lefebvre, MR; Saint-Onge, G; Boulais, PE; Lamothe, S; Leduc, R; Lavigne, P; Heveker, N; Escher, E TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50379089 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50379089&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 91930027 160858172 CHEMBL2012526 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50924503 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCCCC[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC[C@H](CC1=O)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N 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ILGNSCRKOXJWQI-IYNOOLQUSA-N 50379090 CHEMBL2012527 C-X-C chemokine receptor type 4 1.36 ChEMBL 10.1021/ml200084n 10.7270/Q2W096XP 21841963 Lefrançois, M; Lefebvre, MR; Saint-Onge, G; Boulais, PE; Lamothe, S; Leduc, R; Lavigne, P; Heveker, N; Escher, E TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50379090 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50379090&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 91930028 160858173 CHEMBL2012527 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50924504 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCNC(N)=O)C(=O)C1)C(O)=O 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OAAQVWVAXKULPU-XOXOHXBYSA-N 50379091 CHEMBL2012528 C-X-C chemokine receptor type 4 62.02 ChEMBL 10.1021/ml200084n 10.7270/Q2W096XP 21841963 Lefrançois, M; Lefebvre, MR; Saint-Onge, G; Boulais, PE; Lamothe, S; Leduc, R; Lavigne, P; Heveker, N; Escher, E TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50379091 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50379091&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 91930029 160858174 CHEMBL2012528 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50924505 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCNC(N)=O)C(=O)C1)C(O)=O 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QWLXIDZEYSYFHQ-IYNOOLQUSA-N 50379092 CHEMBL2012530 C-X-C chemokine receptor type 4 21.67 ChEMBL 10.1021/ml200084n 10.7270/Q2W096XP 21841963 Lefrançois, M; Lefebvre, MR; Saint-Onge, G; Boulais, PE; Lamothe, S; Leduc, R; Lavigne, P; Heveker, N; Escher, E TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50379092 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50379092&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 91930030 160858175 CHEMBL2012530 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50924506 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCNC(N)=O)C(=O)C1)C(O)=O 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SXEOXNLKZTXLMZ-IMTNQCTCSA-N 50379093 CHEMBL2012531 C-X-C chemokine receptor type 4 21.23 ChEMBL 10.1021/ml200084n 10.7270/Q2W096XP 21841963 Lefrançois, M; Lefebvre, MR; Saint-Onge, G; Boulais, PE; Lamothe, S; Leduc, R; Lavigne, P; Heveker, N; Escher, E TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50379093 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50379093&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 91930031 160858176 CHEMBL2012531 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50924507 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)C1)C(O)=O 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UFDVVKVZOUPVPF-XOXOHXBYSA-N 50379094 CHEMBL2012532 C-X-C chemokine receptor type 4 28.33 ChEMBL 10.1021/ml200084n 10.7270/Q2W096XP 21841963 Lefrançois, M; Lefebvre, MR; Saint-Onge, G; Boulais, PE; Lamothe, S; Leduc, R; Lavigne, P; Heveker, N; Escher, E TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50379094 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50379094&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 91930032 160858177 CHEMBL2012532 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50924508 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)C1)C(O)=O 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SSNYRJQFQDHXEN-XZAMJADMSA-N 50379095 CHEMBL2012651 C-X-C chemokine receptor type 4 38.61 ChEMBL 10.1021/ml200084n 10.7270/Q2W096XP 21841963 Lefrançois, M; Lefebvre, MR; Saint-Onge, G; Boulais, PE; Lamothe, S; Leduc, R; Lavigne, P; Heveker, N; Escher, E TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50379095 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50379095&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 91930033 160858178 CHEMBL2012651 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50924509 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)C1)C(O)=O 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WXBNDNZAZHZOIJ-IYNOOLQUSA-N 50379096 CHEMBL2012652 C-X-C chemokine receptor type 4 16.51 ChEMBL 10.1021/ml200084n 10.7270/Q2W096XP 21841963 Lefrançois, M; Lefebvre, MR; Saint-Onge, G; Boulais, PE; Lamothe, S; Leduc, R; Lavigne, P; Heveker, N; Escher, E TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50379096 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50379096&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 91930034 160858179 CHEMBL2012652 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50924510 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)C1)C(O)=O 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SAKKOOBNDYQRTC-IMTNQCTCSA-N 50379097 CHEMBL2012524 C-X-C chemokine receptor type 4 5.67 ChEMBL 10.1021/ml200084n 10.7270/Q2W096XP 21841963 Lefrançois, M; Lefebvre, MR; Saint-Onge, G; Boulais, PE; Lamothe, S; Leduc, R; Lavigne, P; Heveker, N; Escher, E TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50379097 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50379097&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 91930035 160858180 CHEMBL2012524 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50924511 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)C1)C(O)=O InChI=1S/C142H225N45O31S2/c1-78(2)66-100(175-127(208)106(74-189)181-132(213)113(79(3)4)184-131(212)111-38-22-63-185(111)133(214)91(147)26-7-11-53-143)121(202)180-105(73-188)126(207)177-101(68-80-40-47-87(191)48-41-80)122(203)172-97(35-20-62-166-142(158)159)120(201)182-107(75-190)135(216)186-64-21-36-109(186)129(210)160-56-14-10-30-99(136(217)218)174-114(195)86-72-112(194)92(31-16-58-162-138(150)151)167-116(197)95(33-18-60-164-140(154)155)170-124(205)103(70-82-44-51-89(193)52-45-82)179-130(211)110-37-23-65-187(110)134(215)98(29-9-13-55-145)173-118(199)93(28-8-12-54-144)169-117(198)96(34-19-61-165-141(156)157)171-123(204)102(69-81-42-49-88(192)50-43-81)178-128(209)108(77-220-219-76-86)183-125(206)104(71-83-39-46-84-24-5-6-25-85(84)67-83)176-119(200)94(32-17-59-163-139(152)153)168-115(196)90(146)27-15-57-161-137(148)149/h5-6,24-25,39-52,67,78-79,86,90-111,113,188-193H,7-23,26-38,53-66,68-77,143-147H2,1-4H3,(H,160,210)(H,167,197)(H,168,196)(H,169,198)(H,170,205)(H,171,204)(H,172,203)(H,173,199)(H,174,195)(H,175,208)(H,176,200)(H,177,207)(H,178,209)(H,179,211)(H,180,202)(H,181,213)(H,182,201)(H,183,206)(H,184,212)(H,217,218)(H4,148,149,161)(H4,150,151,162)(H4,152,153,163)(H4,154,155,164)(H4,156,157,165)(H4,158,159,166)/t86-,90-,91-,92-,93-,94-,95-,96-,97-,98+,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,113-/m0/s1 PLIAGBFGSWWMDH-CWYJJERCSA-N 50379098 CHEMBL2012523 C-X-C chemokine receptor type 4 9.57 ChEMBL 10.1021/ml200084n 10.7270/Q2W096XP 21841963 Lefrançois, M; Lefebvre, MR; Saint-Onge, G; Boulais, PE; Lamothe, S; Leduc, R; Lavigne, P; Heveker, N; Escher, E TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50379098 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50379098&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 91930036 160858181 CHEMBL2012523 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50924512 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)C1)C(O)=O InChI=1S/C140H223N45O31S2/c1-76(2)64-99(174-127(208)106(73-188)181-131(212)111(77(3)4)183-130(211)109-37-22-62-184(109)132(213)90(145)26-8-12-52-141)120(201)180-105(72-187)126(207)176-100(66-79-39-46-86(189)47-40-79)121(202)171-96(35-21-61-164-140(156)157)119(200)179-104(71-186)125(206)165-78(5)112(193)158-55-15-11-30-98(134(215)216)173-113(194)85-70-110(192)91(31-17-57-160-136(148)149)166-115(196)94(33-19-59-162-138(152)153)169-123(204)102(68-81-43-50-88(191)51-44-81)178-129(210)108-36-23-63-185(108)133(214)97(29-10-14-54-143)172-117(198)92(28-9-13-53-142)168-116(197)95(34-20-60-163-139(154)155)170-122(203)101(67-80-41-48-87(190)49-42-80)177-128(209)107(75-218-217-74-85)182-124(205)103(69-82-38-45-83-24-6-7-25-84(83)65-82)175-118(199)93(32-18-58-161-137(150)151)167-114(195)89(144)27-16-56-159-135(146)147/h6-7,24-25,38-51,65,76-78,85,89-109,111,186-191H,8-23,26-37,52-64,66-75,141-145H2,1-5H3,(H,158,193)(H,165,206)(H,166,196)(H,167,195)(H,168,197)(H,169,204)(H,170,203)(H,171,202)(H,172,198)(H,173,194)(H,174,208)(H,175,199)(H,176,207)(H,177,209)(H,178,210)(H,179,200)(H,180,201)(H,181,212)(H,182,205)(H,183,211)(H,215,216)(H4,146,147,159)(H4,148,149,160)(H4,150,151,161)(H4,152,153,162)(H4,154,155,163)(H4,156,157,164)/t78-,85-,89-,90-,91-,92-,93-,94-,95-,96-,97+,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,111-/m0/s1 FVOHIUUNGRHKCS-INEKUUKHSA-N 50379099 CHEMBL2012653 C-X-C chemokine receptor type 4 24.92 ChEMBL 10.1021/ml200084n 10.7270/Q2W096XP 21841963 Lefrançois, M; Lefebvre, MR; Saint-Onge, G; Boulais, PE; Lamothe, S; Leduc, R; Lavigne, P; Heveker, N; Escher, E TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50379099 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50379099&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 91930037 160858182 CHEMBL2012653 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50924513 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCC[C@@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCNC(N)=O)C(=O)C1)C(O)=O InChI=1S/C128H200N38O28S2/c1-71(2)60-92(156-116(185)98(68-168)162-120(189)103(72(3)4)164-119(188)101-34-20-58-165(101)121(190)84(133)24-7-11-49-129)111(180)161-97(67-167)115(184)157-93(62-73-36-43-80(169)44-37-73)106(175)143-52-14-10-28-91(123(192)193)155-104(173)79-66-102(172)85(29-16-57-148-128(142)194)149-107(176)88(31-18-55-146-126(138)139)152-113(182)95(64-75-40-47-82(171)48-41-75)160-118(187)100-33-21-59-166(100)122(191)90(27-9-13-51-131)154-109(178)86(26-8-12-50-130)151-108(177)89(32-19-56-147-127(140)141)153-112(181)94(63-74-38-45-81(170)46-39-74)159-117(186)99(70-196-195-69-79)163-114(183)96(65-76-35-42-77-22-5-6-23-78(77)61-76)158-110(179)87(30-17-54-145-125(136)137)150-105(174)83(132)25-15-53-144-124(134)135/h5-6,22-23,35-48,61,71-72,79,83-101,103,167-171H,7-21,24-34,49-60,62-70,129-133H2,1-4H3,(H,143,175)(H,149,176)(H,150,174)(H,151,177)(H,152,182)(H,153,181)(H,154,178)(H,155,173)(H,156,185)(H,157,184)(H,158,179)(H,159,186)(H,160,187)(H,161,180)(H,162,189)(H,163,183)(H,164,188)(H,192,193)(H4,134,135,144)(H4,136,137,145)(H4,138,139,146)(H4,140,141,147)(H3,142,148,194)/t79-,83-,84-,85-,86-,87-,88-,89-,90+,91+,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,103-/m0/s1 SCICXQGMYAOHBI-YZMPCICVSA-N 50379100 CHEMBL2012529 C-X-C chemokine receptor type 4 170 ChEMBL 10.1021/ml200084n 10.7270/Q2W096XP 21841963 Lefrançois, M; Lefebvre, MR; Saint-Onge, G; Boulais, PE; Lamothe, S; Leduc, R; Lavigne, P; Heveker, N; Escher, E TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50379100 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50379100&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 91930038 160858183 CHEMBL2012529 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50940257 NC(N)=NCCC[C@@H]1NC(=O)[C@H](CCCN=C(N)N)N=C(N)[C@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O InChI=1S/C36H48N12O5/c37-31-28(18-21-10-13-25(49)14-11-21)45-30(50)20-44-32(51)29(19-22-9-12-23-5-1-2-6-24(23)17-22)48-34(53)27(8-4-16-43-36(40)41)47-33(52)26(46-31)7-3-15-42-35(38)39/h1-2,5-6,9-14,17,26-29,49H,3-4,7-8,15-16,18-20H2,(H2,37,46)(H,44,51)(H,45,50)(H,47,52)(H,48,53)(H4,38,39,42)(H4,40,41,43)/t26-,27-,28-,29-/m0/s1 OTUMNUZSCJKOIJ-DZUOILHNSA-N 50385609 CHEMBL2042234 C-X-C chemokine receptor type 4 334 ChEMBL 10.1021/ml200047e 10.7270/Q2D21ZNH 24900333 Inokuchi, E; Oishi, S; Kubo, T; Ohno, H; Shimura, K; Matsuoka, M; Fujii, N TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50385609 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50385609&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 70694478 160864692 CHEMBL2042234 ZINC84668986 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50940258 NC(N)=NCCC[C@@H]1NC(=O)[C@H](CCCN=C(N)N)N=C(N)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O InChI=1S/C36H48N12O5/c37-31-28(18-21-10-13-25(49)14-11-21)45-30(50)20-44-32(51)29(19-22-9-12-23-5-1-2-6-24(23)17-22)48-34(53)27(8-4-16-43-36(40)41)47-33(52)26(46-31)7-3-15-42-35(38)39/h1-2,5-6,9-14,17,26-29,49H,3-4,7-8,15-16,18-20H2,(H2,37,46)(H,44,51)(H,45,50)(H,47,52)(H,48,53)(H4,38,39,42)(H4,40,41,43)/t26-,27-,28+,29-/m0/s1 OTUMNUZSCJKOIJ-FKWFRFQNSA-N 50385610 CHEMBL2042233 C-X-C chemokine receptor type 4 679 ChEMBL 10.1021/ml200047e 10.7270/Q2D21ZNH 24900333 Inokuchi, E; Oishi, S; Kubo, T; Ohno, H; Shimura, K; Matsuoka, M; Fujii, N TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50385610 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50385610&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 66558669 160864693 CHEMBL2042233 ZINC84669345 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50940259 NC(N)=NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)N=C1N InChI=1S/C36H48N12O5/c37-31-26(7-3-15-42-35(38)39)47-34(53)29(18-21-10-13-25(49)14-11-21)45-30(50)20-44-32(51)28(19-22-9-12-23-5-1-2-6-24(23)17-22)48-33(52)27(46-31)8-4-16-43-36(40)41/h1-2,5-6,9-14,17,26-29,49H,3-4,7-8,15-16,18-20H2,(H2,37,46)(H,44,51)(H,45,50)(H,47,53)(H,48,52)(H4,38,39,42)(H4,40,41,43)/t26-,27-,28-,29+/m0/s1 SNHQHQGHQSDXQW-XFTNXAEASA-N 50385611 CHEMBL2042232 C-X-C chemokine receptor type 4 16 ChEMBL 10.1021/ml200047e 10.7270/Q2D21ZNH 24900333 Inokuchi, E; Oishi, S; Kubo, T; Ohno, H; Shimura, K; Matsuoka, M; Fujii, N TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50385611 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50385611&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 53344613 160864694 CHEMBL2042232 ZINC84706883 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50940260 NC(N)=NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)N=C(N)[C@H](CCCN=C(N)N)NC1=O InChI=1S/C36H48N12O5/c37-31-26(7-3-15-42-35(38)39)47-33(52)27(8-4-16-43-36(40)41)48-34(53)29(18-21-10-13-25(49)14-11-21)45-30(50)20-44-32(51)28(46-31)19-22-9-12-23-5-1-2-6-24(23)17-22/h1-2,5-6,9-14,17,26-29,49H,3-4,7-8,15-16,18-20H2,(H2,37,46)(H,44,51)(H,45,50)(H,47,52)(H,48,53)(H4,38,39,42)(H4,40,41,43)/t26-,27-,28-,29+/m0/s1 SRNGQKWFYAHULQ-XFTNXAEASA-N 50385612 CHEMBL2042120 C-X-C chemokine receptor type 4 11 ChEMBL 10.1021/ml200047e 10.7270/Q2D21ZNH 24900333 Inokuchi, E; Oishi, S; Kubo, T; Ohno, H; Shimura, K; Matsuoka, M; Fujii, N TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50385612 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50385612&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 66558750 160864695 CHEMBL2042120 ZINC84713482 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50940261 NC(N)=NCCC[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CN=C(N)[C@@H](Cc2ccc3ccccc3c2)NC1=O InChI=1S/C36H48N12O5/c37-31-28(19-22-9-12-23-5-1-2-6-24(23)17-22)48-33(52)27(8-4-16-43-36(40)41)46-32(51)26(7-3-15-42-35(38)39)47-34(53)29(45-30(50)20-44-31)18-21-10-13-25(49)14-11-21/h1-2,5-6,9-14,17,26-29,49H,3-4,7-8,15-16,18-20H2,(H2,37,44)(H,45,50)(H,46,51)(H,47,53)(H,48,52)(H4,38,39,42)(H4,40,41,43)/t26-,27-,28+,29+/m0/s1 QIWQGHHPOUFQSH-QUAHOIDUSA-N 50385613 CHEMBL2042119 C-X-C chemokine receptor type 4 4.9 ChEMBL 10.1021/ml200047e 10.7270/Q2D21ZNH 24900333 Inokuchi, E; Oishi, S; Kubo, T; Ohno, H; Shimura, K; Matsuoka, M; Fujii, N TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50385613 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50385613&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 70681869 160864696 CHEMBL2042119 ZINC84704688 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50940262 NC(N)=NCCC[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CN=C(N)[C@H](Cc2ccc3ccccc3c2)NC1=O InChI=1S/C36H48N12O5/c37-31-28(19-22-9-12-23-5-1-2-6-24(23)17-22)48-33(52)27(8-4-16-43-36(40)41)46-32(51)26(7-3-15-42-35(38)39)47-34(53)29(45-30(50)20-44-31)18-21-10-13-25(49)14-11-21/h1-2,5-6,9-14,17,26-29,49H,3-4,7-8,15-16,18-20H2,(H2,37,44)(H,45,50)(H,46,51)(H,47,53)(H,48,52)(H4,38,39,42)(H4,40,41,43)/t26-,27-,28-,29+/m0/s1 QIWQGHHPOUFQSH-XFTNXAEASA-N 50385614 CHEMBL2042118 C-X-C chemokine receptor type 4 4.2 ChEMBL 10.1021/ml200047e 10.7270/Q2D21ZNH 24900333 Inokuchi, E; Oishi, S; Kubo, T; Ohno, H; Shimura, K; Matsuoka, M; Fujii, N TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50385614 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50385614&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 53344611 160864697 CHEMBL2042118 ZINC84653504 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50940263 NC(N)=NCCC[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)N=C(N)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O InChI=1S/C36H48N12O5/c37-30-20-44-31(50)28(19-22-9-12-23-5-1-2-6-24(23)17-22)48-33(52)27(8-4-16-43-36(40)41)46-32(51)26(7-3-15-42-35(38)39)47-34(53)29(45-30)18-21-10-13-25(49)14-11-21/h1-2,5-6,9-14,17,26-29,49H,3-4,7-8,15-16,18-20H2,(H2,37,45)(H,44,50)(H,46,51)(H,47,53)(H,48,52)(H4,38,39,42)(H4,40,41,43)/t26-,27-,28-,29+/m0/s1 FUJDLJPCMHTLGN-XFTNXAEASA-N 50385615 CHEMBL2042117 C-X-C chemokine receptor type 4 9.4 ChEMBL 10.1021/ml200047e 10.7270/Q2D21ZNH 24900333 Inokuchi, E; Oishi, S; Kubo, T; Ohno, H; Shimura, K; Matsuoka, M; Fujii, N TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50385615 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50385615&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 66545960 160864698 CHEMBL2042117 ZINC84653503 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50940264 CN1[C@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C1=O InChI=1S/C37H49N11O6/c1-48-30(9-5-17-43-37(40)41)34(53)46-27(8-4-16-42-36(38)39)33(52)47-28(20-23-10-13-24-6-2-3-7-25(24)18-23)32(51)44-21-31(50)45-29(35(48)54)19-22-11-14-26(49)15-12-22/h2-3,6-7,10-15,18,27-30,49H,4-5,8-9,16-17,19-21H2,1H3,(H,44,51)(H,45,50)(H,46,53)(H,47,52)(H4,38,39,42)(H4,40,41,43)/t27-,28-,29+,30+/m0/s1 FZOZRYUHOMFSGD-VZNYXHRGSA-N 50363984 CHEMBL1949730 C-X-C chemokine receptor type 4 37 ChEMBL 10.1021/ml200047e 10.7270/Q2D21ZNH 24900333 Inokuchi, E; Oishi, S; Kubo, T; Ohno, H; Shimura, K; Matsuoka, M; Fujii, N TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50363984 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50363984&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 10372866 136968046 CHEMBL1949730 ZINC82154522 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50940265 NC(N)=NCCC[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O InChI=1S/C36H47N11O6/c37-35(38)41-15-3-7-26-32(51)45-27(8-4-16-42-36(39)40)33(52)47-28(19-22-9-12-23-5-1-2-6-24(23)17-22)31(50)43-20-30(49)44-29(34(53)46-26)18-21-10-13-25(48)14-11-21/h1-2,5-6,9-14,17,26-29,48H,3-4,7-8,15-16,18-20H2,(H,43,50)(H,44,49)(H,45,51)(H,46,53)(H,47,52)(H4,37,38,41)(H4,39,40,42)/t26-,27-,28-,29+/m0/s1 MBXBICVKLVYNKD-XFTNXAEASA-N 50166106 CHEMBL436283::N-{3-[(2S,5S,8S,14R)-5-(3-Guanidino-propyl)-14-(4-hydroxy-benzyl)-8-naphthalen-2-ylmethyl-3,6,9,12,15-pentaoxo-1,4,7,10,13pentaaza-cyclopentadec-2-yl]-propyl}-guanidine::cyclo(-D-Tyr-Arg-Arg-Nal-Gly-) C-X-C chemokine receptor type 4 126 ChEMBL 10.1021/ml200047e 10.7270/Q2D21ZNH 24900333 Inokuchi, E; Oishi, S; Kubo, T; Ohno, H; Shimura, K; Matsuoka, M; Fujii, N TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50166106 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50166106&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 5275843 104051514 CHEMBL436283 ZINC03925712 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50967941 C[C@H]1CCCCN1CCCNCc1ccc(CNCCCN2CCCC[C@H]2C)cc1 InChI=1S/C26H46N4/c1-23-9-3-5-17-29(23)19-7-15-27-21-25-11-13-26(14-12-25)22-28-16-8-20-30-18-6-4-10-24(30)2/h11-14,23-24,27-28H,3-10,15-22H2,1-2H3/t23-,24+ CAAWJPKOKADKRS-PSWAGMNNSA-N 50396846 CHEMBL2170299 C-X-C chemokine receptor type 4 790 ChEMBL 10.1021/jm300862u 10.7270/Q2KW5H56 22909088 Ros-Blanco, L; Anido, J; Bosser, R; Este, J; Clotet, B; Kosoy, A; Ruiz-Avila, L; Teixido, J; Seoane, J; Borrell, JI Universitat Ramon Llull http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50396846 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50396846&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 71456969 163345870 CHEMBL2170299 ZINC95557217 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50967943 C[C@H]1CCCCN1CCCNCc1ccc(CNCCCN2CCCC[C@@H]2C)cc1 InChI=1S/C26H46N4/c1-23-9-3-5-17-29(23)19-7-15-27-21-25-11-13-26(14-12-25)22-28-16-8-20-30-18-6-4-10-24(30)2/h11-14,23-24,27-28H,3-10,15-22H2,1-2H3/t23-,24-/m0/s1 CAAWJPKOKADKRS-ZEQRLZLVSA-N 50396848 CHEMBL2170443 C-X-C chemokine receptor type 4 1100 ChEMBL 10.1021/jm300862u 10.7270/Q2KW5H56 22909088 Ros-Blanco, L; Anido, J; Bosser, R; Este, J; Clotet, B; Kosoy, A; Ruiz-Avila, L; Teixido, J; Seoane, J; Borrell, JI Universitat Ramon Llull http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50396848 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50396848&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 71455186 163345872 CHEMBL2170443 ZINC95555133 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50967944 C[C@@H]1CCCCN1CCCNCc1ccc(CNCCCN2CCCC[C@H]2C)cc1 InChI=1S/C26H46N4/c1-23-9-3-5-17-29(23)19-7-15-27-21-25-11-13-26(14-12-25)22-28-16-8-20-30-18-6-4-10-24(30)2/h11-14,23-24,27-28H,3-10,15-22H2,1-2H3/t23-,24-/m1/s1 CAAWJPKOKADKRS-DNQXCXABSA-N 50396847 CHEMBL2170444 C-X-C chemokine receptor type 4 350 ChEMBL 10.1021/jm300862u 10.7270/Q2KW5H56 22909088 Ros-Blanco, L; Anido, J; Bosser, R; Este, J; Clotet, B; Kosoy, A; Ruiz-Avila, L; Teixido, J; Seoane, J; Borrell, JI Universitat Ramon Llull http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50396847 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50396847&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 71451639 163345871 CHEMBL2170444 ZINC95556653 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50972911 NC(=O)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC1=O InChI=1S/C36H46N10O7/c37-35(38)40-15-3-7-27-33(51)46-28(19-22-9-12-23-5-1-2-6-24(23)17-22)31(49)42-20-30(48)43-29(18-21-10-13-25(47)14-11-21)34(52)45-26(32(50)44-27)8-4-16-41-36(39)53/h1-2,5-6,9-14,17,26-29,47H,3-4,7-8,15-16,18-20H2,(H,42,49)(H,43,48)(H,44,50)(H,45,52)(H,46,51)(H4,37,38,40)(H3,39,41,53)/t26-,27-,28-,29+/m0/s1 FHTYWDVGHJPPQT-XFTNXAEASA-N 50398987 CHEMBL2179712 C-X-C chemokine receptor type 4 2900 ChEMBL 10.1021/jm300926y 10.7270/Q23779T3 23043442 Mungalpara, J; Thiele, S; Eriksen, Ø; Eksteen, J; Rosenkilde, MM; Vabeno, J University of Troms£ http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398987 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398987&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 71451968 163348011 CHEMBL2179712 ZINC95566177 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50972912 NC(=O)NCCC[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O InChI=1S/C36H46N10O7/c37-35(38)40-15-3-7-26-32(50)44-27(8-4-16-41-36(39)53)33(51)46-28(19-22-9-12-23-5-1-2-6-24(23)17-22)31(49)42-20-30(48)43-29(34(52)45-26)18-21-10-13-25(47)14-11-21/h1-2,5-6,9-14,17,26-29,47H,3-4,7-8,15-16,18-20H2,(H,42,49)(H,43,48)(H,44,50)(H,45,52)(H,46,51)(H4,37,38,40)(H3,39,41,53)/t26-,27-,28-,29+/m0/s1 TYSMLYMOKAPQRO-XFTNXAEASA-N 50398988 CHEMBL2179711 C-X-C chemokine receptor type 4 >100000 ChEMBL 10.1021/jm300926y 10.7270/Q23779T3 23043442 Mungalpara, J; Thiele, S; Eriksen, Ø; Eksteen, J; Rosenkilde, MM; Vabeno, J University of Troms£ http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398988 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398988&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 71459134 163348012 CHEMBL2179711 ZINC95564696 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50972913 NC(=O)NCCC[C@@H]1NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O InChI=1S/C36H45N9O8/c37-35(52)39-15-3-7-26-32(49)43-27(8-4-16-40-36(38)53)33(50)45-28(19-22-9-12-23-5-1-2-6-24(23)17-22)31(48)41-20-30(47)42-29(34(51)44-26)18-21-10-13-25(46)14-11-21/h1-2,5-6,9-14,17,26-29,46H,3-4,7-8,15-16,18-20H2,(H,41,48)(H,42,47)(H,43,49)(H,44,51)(H,45,50)(H3,37,39,52)(H3,38,40,53)/t26-,27-,28-,29+/m0/s1 XSWHWVYBODETDD-XFTNXAEASA-N 50398989 CHEMBL2179710 C-X-C chemokine receptor type 4 >100000 ChEMBL 10.1021/jm300926y 10.7270/Q23779T3 23043442 Mungalpara, J; Thiele, S; Eriksen, Ø; Eksteen, J; Rosenkilde, MM; Vabeno, J University of Troms£ http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398989 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398989&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 71450139 163348013 CHEMBL2179710 ZINC95578024 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50972914 NC(N)=NCCC[C@@H]1NC(=O)[C@H](Cc2ccc(cc2)N=C(N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O InChI=1S/C40H47N11O6/c41-39(42)45-17-3-6-30-36(55)50-31(21-25-7-12-26-4-1-2-5-27(26)18-25)35(54)46-22-34(53)48-32(19-24-10-15-29(52)16-11-24)37(56)51-33(38(57)49-30)20-23-8-13-28(14-9-23)47-40(43)44/h1-2,4-5,7-16,18,30-33,52H,3,6,17,19-22H2,(H,46,54)(H,48,53)(H,49,57)(H,50,55)(H,51,56)(H4,41,42,45)(H4,43,44,47)/t30-,31-,32+,33-/m0/s1 ZVXICSSDDWZNPA-SSNHPIBPSA-N 50398990 CHEMBL2179709 C-X-C chemokine receptor type 4 680 ChEMBL 10.1021/jm300926y 10.7270/Q23779T3 23043442 Mungalpara, J; Thiele, S; Eriksen, Ø; Eksteen, J; Rosenkilde, MM; Vabeno, J University of Troms£ http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398990 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398990&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 71457301 163348014 CHEMBL2179709 ZINC95566031 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50972915 NC(N)=NCCC[C@@H]1NC(=O)[C@H](Cc2ccc(N)cc2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O InChI=1S/C39H45N9O6/c40-28-13-8-23(9-14-28)20-33-38(54)46-30(6-3-17-43-39(41)42)36(52)47-31(21-25-7-12-26-4-1-2-5-27(26)18-25)35(51)44-22-34(50)45-32(37(53)48-33)19-24-10-15-29(49)16-11-24/h1-2,4-5,7-16,18,30-33,49H,3,6,17,19-22,40H2,(H,44,51)(H,45,50)(H,46,54)(H,47,52)(H,48,53)(H4,41,42,43)/t30-,31-,32+,33-/m0/s1 WBSWGNBGCNPVSN-SSNHPIBPSA-N 50398991 CHEMBL2179708 C-X-C chemokine receptor type 4 15000 ChEMBL 10.1021/jm300926y 10.7270/Q23779T3 23043442 Mungalpara, J; Thiele, S; Eriksen, Ø; Eksteen, J; Rosenkilde, MM; Vabeno, J University of Troms£ http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398991 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398991&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 71451966 163348015 CHEMBL2179708 ZINC95566030 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50972916 NC(N)=NCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O InChI=1S/C39H44N8O6/c40-39(41)42-18-6-11-30-36(51)46-31(22-26-12-15-27-9-4-5-10-28(27)19-26)35(50)43-23-34(49)44-32(21-25-13-16-29(48)17-14-25)37(52)47-33(38(53)45-30)20-24-7-2-1-3-8-24/h1-5,7-10,12-17,19,30-33,48H,6,11,18,20-23H2,(H,43,50)(H,44,49)(H,45,53)(H,46,51)(H,47,52)(H4,40,41,42)/t30-,31-,32+,33-/m0/s1 TZVHXBXUHJHAGF-SSNHPIBPSA-N 50398992 CHEMBL2180086 C-X-C chemokine receptor type 4 7200 ChEMBL 10.1021/jm300926y 10.7270/Q23779T3 23043442 Mungalpara, J; Thiele, S; Eriksen, Ø; Eksteen, J; Rosenkilde, MM; Vabeno, J University of Troms£ http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398992 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398992&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 71455543 163348016 CHEMBL2180086 ZINC95564557 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50972917 NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC1=O InChI=1S/C35H45N9O6/c36-15-3-7-26-32(48)42-27(8-4-16-39-35(37)38)33(49)44-28(19-22-9-12-23-5-1-2-6-24(23)17-22)31(47)40-20-30(46)41-29(34(50)43-26)18-21-10-13-25(45)14-11-21/h1-2,5-6,9-14,17,26-29,45H,3-4,7-8,15-16,18-20,36H2,(H,40,47)(H,41,46)(H,42,48)(H,43,50)(H,44,49)(H4,37,38,39)/t26-,27-,28-,29+/m0/s1 ZLTWSKRUWSCNKB-XFTNXAEASA-N 50398993 CHEMBL2180085 C-X-C chemokine receptor type 4 660 ChEMBL 10.1021/jm300926y 10.7270/Q23779T3 23043442 Mungalpara, J; Thiele, S; Eriksen, Ø; Eksteen, J; Rosenkilde, MM; Vabeno, J University of Troms£ http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398993 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398993&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 5278962 163348017 CHEMBL2180085 ZINC28475607 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50972918 NC(N)=NCCC[C@@H]1NC(=O)C2(CCN(CC2)C(N)=N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O InChI=1S/C37H47N11O6/c38-35(39)42-15-3-6-27-32(52)45-28(20-23-7-10-24-4-1-2-5-25(24)18-23)31(51)43-21-30(50)44-29(19-22-8-11-26(49)12-9-22)33(53)47-37(34(54)46-27)13-16-48(17-14-37)36(40)41/h1-2,4-5,7-12,18,27-29,49H,3,6,13-17,19-21H2,(H3,40,41)(H,43,51)(H,44,50)(H,45,52)(H,46,54)(H,47,53)(H4,38,39,42)/t27-,28-,29+/m0/s1 FMJQTLSARTXFHJ-YTCPBCGMSA-N 50398994 CHEMBL2180084 C-X-C chemokine receptor type 4 260 ChEMBL 10.1021/jm300926y 10.7270/Q23779T3 23043442 Mungalpara, J; Thiele, S; Eriksen, Ø; Eksteen, J; Rosenkilde, MM; Vabeno, J University of Troms£ http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398994 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398994&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 71452002 163348018 CHEMBL2180084 ZINC95564921 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50972919 NC(N)=NCCC[C@@H]1NC(=O)C2(CCNCC2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O InChI=1S/C36H45N9O6/c37-35(38)40-15-3-6-27-32(49)43-28(20-23-7-10-24-4-1-2-5-25(24)18-23)31(48)41-21-30(47)42-29(19-22-8-11-26(46)12-9-22)33(50)45-36(34(51)44-27)13-16-39-17-14-36/h1-2,4-5,7-12,18,27-29,39,46H,3,6,13-17,19-21H2,(H,41,48)(H,42,47)(H,43,49)(H,44,51)(H,45,50)(H4,37,38,40)/t27-,28-,29+/m0/s1 OEJRASGAKSKQGZ-YTCPBCGMSA-N 50398995 CHEMBL2180083 C-X-C chemokine receptor type 4 560 ChEMBL 10.1021/jm300926y 10.7270/Q23779T3 23043442 Mungalpara, J; Thiele, S; Eriksen, Ø; Eksteen, J; Rosenkilde, MM; Vabeno, J University of Troms£ http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398995 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398995&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 71450175 163348019 CHEMBL2180083 ZINC95564842 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50972920 NC(N)=NCCC[C@@H]1NC(=O)C2(CCCCC2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O InChI=1S/C37H46N8O6/c38-36(39)40-18-6-9-28-33(49)43-29(21-24-10-13-25-7-2-3-8-26(25)19-24)32(48)41-22-31(47)42-30(20-23-11-14-27(46)15-12-23)34(50)45-37(35(51)44-28)16-4-1-5-17-37/h2-3,7-8,10-15,19,28-30,46H,1,4-6,9,16-18,20-22H2,(H,41,48)(H,42,47)(H,43,49)(H,44,51)(H,45,50)(H4,38,39,40)/t28-,29-,30+/m0/s1 XYGOLKBEGMSGIZ-OIFRRMEBSA-N 50398996 CHEMBL2180082 C-X-C chemokine receptor type 4 5400 ChEMBL 10.1021/jm300926y 10.7270/Q23779T3 23043442 Mungalpara, J; Thiele, S; Eriksen, Ø; Eksteen, J; Rosenkilde, MM; Vabeno, J University of Troms£ http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398996 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398996&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 71462703 163348020 CHEMBL2180082 ZINC95564841 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50972921 C[C@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC1=O InChI=1S/C33H40N8O6/c1-19-29(44)40-25(7-4-14-36-33(34)35)31(46)41-26(17-21-8-11-22-5-2-3-6-23(22)15-21)30(45)37-18-28(43)39-27(32(47)38-19)16-20-9-12-24(42)13-10-20/h2-3,5-6,8-13,15,19,25-27,42H,4,7,14,16-18H2,1H3,(H,37,45)(H,38,47)(H,39,43)(H,40,44)(H,41,46)(H4,34,35,36)/t19-,25+,26+,27-/m1/s1 ZLADCKHHHMLAMG-YFYVCGBBSA-N 50398997 CHEMBL2180081 C-X-C chemokine receptor type 4 19000 ChEMBL 10.1021/jm300926y 10.7270/Q23779T3 23043442 Mungalpara, J; Thiele, S; Eriksen, Ø; Eksteen, J; Rosenkilde, MM; Vabeno, J University of Troms£ http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398997 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398997&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 5278957 163348021 CHEMBL2180081 ZINC28476198 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50972922 C[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC1=O InChI=1S/C33H40N8O6/c1-19-29(44)40-25(7-4-14-36-33(34)35)31(46)41-26(17-21-8-11-22-5-2-3-6-23(22)15-21)30(45)37-18-28(43)39-27(32(47)38-19)16-20-9-12-24(42)13-10-20/h2-3,5-6,8-13,15,19,25-27,42H,4,7,14,16-18H2,1H3,(H,37,45)(H,38,47)(H,39,43)(H,40,44)(H,41,46)(H4,34,35,36)/t19-,25-,26-,27+/m0/s1 ZLADCKHHHMLAMG-HNDFRXHXSA-N 50398998 CHEMBL2180080 C-X-C chemokine receptor type 4 19000 ChEMBL 10.1021/jm300926y 10.7270/Q23779T3 23043442 Mungalpara, J; Thiele, S; Eriksen, Ø; Eksteen, J; Rosenkilde, MM; Vabeno, J University of Troms£ http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398998 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398998&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 5278959 163348022 CHEMBL2180080 ZINC28475792 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50972923 CC1(C)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC1=O InChI=1S/C34H42N8O6/c1-34(2)32(48)41-25(8-5-15-37-33(35)36)30(46)40-26(18-21-9-12-22-6-3-4-7-23(22)16-21)29(45)38-19-28(44)39-27(31(47)42-34)17-20-10-13-24(43)14-11-20/h3-4,6-7,9-14,16,25-27,43H,5,8,15,17-19H2,1-2H3,(H,38,45)(H,39,44)(H,40,46)(H,41,48)(H,42,47)(H4,35,36,37)/t25-,26-,27+/m0/s1 XCHJVQITCMEXNC-GMQQYTKMSA-N 50398999 CHEMBL2180079 C-X-C chemokine receptor type 4 3600 ChEMBL 10.1021/jm300926y 10.7270/Q23779T3 23043442 Mungalpara, J; Thiele, S; Eriksen, Ø; Eksteen, J; Rosenkilde, MM; Vabeno, J University of Troms£ http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398999 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398999&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 71455540 163348023 CHEMBL2180079 ZINC95564602 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50972924 NC(N)=NCCC[C@@H]1NC(=O)CNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O InChI=1S/C32H38N8O6/c33-32(34)35-13-3-6-24-31(46)40-26(16-20-7-10-21-4-1-2-5-22(21)14-20)30(45)37-18-28(43)39-25(29(44)36-17-27(42)38-24)15-19-8-11-23(41)12-9-19/h1-2,4-5,7-12,14,24-26,41H,3,6,13,15-18H2,(H,36,44)(H,37,45)(H,38,42)(H,39,43)(H,40,46)(H4,33,34,35)/t24-,25+,26-/m0/s1 CGEOGQIRVHRNEK-NXCFDTQHSA-N 50399000 CHEMBL2180078 C-X-C chemokine receptor type 4 36000 ChEMBL 10.1021/jm300926y 10.7270/Q23779T3 23043442 Mungalpara, J; Thiele, S; Eriksen, Ø; Eksteen, J; Rosenkilde, MM; Vabeno, J University of Troms£ http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50399000 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50399000&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 71462701 163348024 CHEMBL2180078 ZINC95564601 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50972925 NC(N)=NCCC[C@@H]1NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O InChI=1S/C36H47N11O6/c37-35(38)41-15-3-7-26-32(51)45-27(8-4-16-42-36(39)40)33(52)47-28(19-22-9-12-23-5-1-2-6-24(23)17-22)31(50)43-20-30(49)44-29(34(53)46-26)18-21-10-13-25(48)14-11-21/h1-2,5-6,9-14,17,26-29,48H,3-4,7-8,15-16,18-20H2,(H,43,50)(H,44,49)(H,45,51)(H,46,53)(H,47,52)(H4,37,38,41)(H4,39,40,42)/t26-,27+,28+,29-/m1/s1 MBXBICVKLVYNKD-GIFPIDKJSA-N 50399001 CHEMBL2180077 C-X-C chemokine receptor type 4 780 ChEMBL 10.1021/jm300926y 10.7270/Q23779T3 23043442 Mungalpara, J; Thiele, S; Eriksen, Ø; Eksteen, J; Rosenkilde, MM; Vabeno, J University of Troms£ http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50399001 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50399001&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 5278953 163348025 CHEMBL2180077 ZINC28477171 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50972926 NC(N)=NCCC[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O InChI=1S/C36H47N11O6/c37-35(38)41-15-3-7-26-32(51)45-27(8-4-16-42-36(39)40)33(52)47-28(19-22-9-12-23-5-1-2-6-24(23)17-22)31(50)43-20-30(49)44-29(34(53)46-26)18-21-10-13-25(48)14-11-21/h1-2,5-6,9-14,17,26-29,48H,3-4,7-8,15-16,18-20H2,(H,43,50)(H,44,49)(H,45,51)(H,46,53)(H,47,52)(H4,37,38,41)(H4,39,40,42)/t26-,27-,28-,29+/m0/s1 MBXBICVKLVYNKD-XFTNXAEASA-N 50399002 CHEMBL2180076 C-X-C chemokine receptor type 4 470 ChEMBL 10.1021/jm300926y 10.7270/Q23779T3 23043442 Mungalpara, J; Thiele, S; Eriksen, Ø; Eksteen, J; Rosenkilde, MM; Vabeno, J University of Troms£ http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50399002 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50399002&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 5275843 163348026 CHEMBL2180076 ZINC03925712 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50972927 NC(=O)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC1=O InChI=1S/C36H46N10O7/c37-35(38)40-15-3-7-27-33(51)46-28(19-22-9-12-23-5-1-2-6-24(23)17-22)31(49)42-20-30(48)43-29(18-21-10-13-25(47)14-11-21)34(52)45-26(32(50)44-27)8-4-16-41-36(39)53/h1-2,5-6,9-14,17,26-29,47H,3-4,7-8,15-16,18-20H2,(H,42,49)(H,43,48)(H,44,50)(H,45,52)(H,46,51)(H4,37,38,40)(H3,39,41,53)/t26-,27-,28-,29+/m0/s1 FHTYWDVGHJPPQT-XFTNXAEASA-N 50398987 CHEMBL2179712 C-X-C chemokine receptor type 4 2884.03 ChEMBL 10.1021/jm300926y 10.7270/Q23779T3 23043442 Mungalpara, J; Thiele, S; Eriksen, Ø; Eksteen, J; Rosenkilde, MM; Vabeno, J University of Troms£ http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398987 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398987&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 71451968 163348011 CHEMBL2179712 ZINC95566177 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50972928 NC(N)=NCCC[C@@H]1NC(=O)[C@H](Cc2ccc(cc2)N=C(N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O InChI=1S/C40H47N11O6/c41-39(42)45-17-3-6-30-36(55)50-31(21-25-7-12-26-4-1-2-5-27(26)18-25)35(54)46-22-34(53)48-32(19-24-10-15-29(52)16-11-24)37(56)51-33(38(57)49-30)20-23-8-13-28(14-9-23)47-40(43)44/h1-2,4-5,7-16,18,30-33,52H,3,6,17,19-22H2,(H,46,54)(H,48,53)(H,49,57)(H,50,55)(H,51,56)(H4,41,42,45)(H4,43,44,47)/t30-,31-,32+,33-/m0/s1 ZVXICSSDDWZNPA-SSNHPIBPSA-N 50398990 CHEMBL2179709 C-X-C chemokine receptor type 4 676.08 ChEMBL 10.1021/jm300926y 10.7270/Q23779T3 23043442 Mungalpara, J; Thiele, S; Eriksen, Ø; Eksteen, J; Rosenkilde, MM; Vabeno, J University of Troms£ http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398990 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398990&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 71457301 163348014 CHEMBL2179709 ZINC95566031 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50972929 NC(N)=NCCC[C@@H]1NC(=O)[C@H](Cc2ccc(N)cc2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O InChI=1S/C39H45N9O6/c40-28-13-8-23(9-14-28)20-33-38(54)46-30(6-3-17-43-39(41)42)36(52)47-31(21-25-7-12-26-4-1-2-5-27(26)18-25)35(51)44-22-34(50)45-32(37(53)48-33)19-24-10-15-29(49)16-11-24/h1-2,4-5,7-16,18,30-33,49H,3,6,17,19-22,40H2,(H,44,51)(H,45,50)(H,46,54)(H,47,52)(H,48,53)(H4,41,42,43)/t30-,31-,32+,33-/m0/s1 WBSWGNBGCNPVSN-SSNHPIBPSA-N 50398991 CHEMBL2179708 C-X-C chemokine receptor type 4 14791.08 ChEMBL 10.1021/jm300926y 10.7270/Q23779T3 23043442 Mungalpara, J; Thiele, S; Eriksen, Ø; Eksteen, J; Rosenkilde, MM; Vabeno, J University of Troms£ http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398991 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398991&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 71451966 163348015 CHEMBL2179708 ZINC95566030 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50972930 NC(N)=NCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O InChI=1S/C39H44N8O6/c40-39(41)42-18-6-11-30-36(51)46-31(22-26-12-15-27-9-4-5-10-28(27)19-26)35(50)43-23-34(49)44-32(21-25-13-16-29(48)17-14-25)37(52)47-33(38(53)45-30)20-24-7-2-1-3-8-24/h1-5,7-10,12-17,19,30-33,48H,6,11,18,20-23H2,(H,43,50)(H,44,49)(H,45,53)(H,46,51)(H,47,52)(H4,40,41,42)/t30-,31-,32+,33-/m0/s1 TZVHXBXUHJHAGF-SSNHPIBPSA-N 50398992 CHEMBL2180086 C-X-C chemokine receptor type 4 7244.36 ChEMBL 10.1021/jm300926y 10.7270/Q23779T3 23043442 Mungalpara, J; Thiele, S; Eriksen, Ø; Eksteen, J; Rosenkilde, MM; Vabeno, J University of Troms£ http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398992 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398992&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 71455543 163348016 CHEMBL2180086 ZINC95564557 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50972931 NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC1=O InChI=1S/C35H45N9O6/c36-15-3-7-26-32(48)42-27(8-4-16-39-35(37)38)33(49)44-28(19-22-9-12-23-5-1-2-6-24(23)17-22)31(47)40-20-30(46)41-29(34(50)43-26)18-21-10-13-25(45)14-11-21/h1-2,5-6,9-14,17,26-29,45H,3-4,7-8,15-16,18-20,36H2,(H,40,47)(H,41,46)(H,42,48)(H,43,50)(H,44,49)(H4,37,38,39)/t26-,27-,28-,29+/m0/s1 ZLTWSKRUWSCNKB-XFTNXAEASA-N 50398993 CHEMBL2180085 C-X-C chemokine receptor type 4 660.69 ChEMBL 10.1021/jm300926y 10.7270/Q23779T3 23043442 Mungalpara, J; Thiele, S; Eriksen, Ø; Eksteen, J; Rosenkilde, MM; Vabeno, J University of Troms£ http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398993 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398993&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 5278962 163348017 CHEMBL2180085 ZINC28475607 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50972932 NC(N)=NCCC[C@@H]1NC(=O)C2(CCN(CC2)C(N)=N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O InChI=1S/C37H47N11O6/c38-35(39)42-15-3-6-27-32(52)45-28(20-23-7-10-24-4-1-2-5-25(24)18-23)31(51)43-21-30(50)44-29(19-22-8-11-26(49)12-9-22)33(53)47-37(34(54)46-27)13-16-48(17-14-37)36(40)41/h1-2,4-5,7-12,18,27-29,49H,3,6,13-17,19-21H2,(H3,40,41)(H,43,51)(H,44,50)(H,45,52)(H,46,54)(H,47,53)(H4,38,39,42)/t27-,28-,29+/m0/s1 FMJQTLSARTXFHJ-YTCPBCGMSA-N 50398994 CHEMBL2180084 C-X-C chemokine receptor type 4 257.04 ChEMBL 10.1021/jm300926y 10.7270/Q23779T3 23043442 Mungalpara, J; Thiele, S; Eriksen, Ø; Eksteen, J; Rosenkilde, MM; Vabeno, J University of Troms£ http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398994 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398994&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 71452002 163348018 CHEMBL2180084 ZINC95564921 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50972933 NC(N)=NCCC[C@@H]1NC(=O)C2(CCNCC2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O InChI=1S/C36H45N9O6/c37-35(38)40-15-3-6-27-32(49)43-28(20-23-7-10-24-4-1-2-5-25(24)18-23)31(48)41-21-30(47)42-29(19-22-8-11-26(46)12-9-22)33(50)45-36(34(51)44-27)13-16-39-17-14-36/h1-2,4-5,7-12,18,27-29,39,46H,3,6,13-17,19-21H2,(H,41,48)(H,42,47)(H,43,49)(H,44,51)(H,45,50)(H4,37,38,40)/t27-,28-,29+/m0/s1 OEJRASGAKSKQGZ-YTCPBCGMSA-N 50398995 CHEMBL2180083 C-X-C chemokine receptor type 4 562.34 ChEMBL 10.1021/jm300926y 10.7270/Q23779T3 23043442 Mungalpara, J; Thiele, S; Eriksen, Ø; Eksteen, J; Rosenkilde, MM; Vabeno, J University of Troms£ http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398995 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398995&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 71450175 163348019 CHEMBL2180083 ZINC95564842 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50972934 NC(N)=NCCC[C@@H]1NC(=O)C2(CCCCC2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O InChI=1S/C37H46N8O6/c38-36(39)40-18-6-9-28-33(49)43-29(21-24-10-13-25-7-2-3-8-26(25)19-24)32(48)41-22-31(47)42-30(20-23-11-14-27(46)15-12-23)34(50)45-37(35(51)44-28)16-4-1-5-17-37/h2-3,7-8,10-15,19,28-30,46H,1,4-6,9,16-18,20-22H2,(H,41,48)(H,42,47)(H,43,49)(H,44,51)(H,45,50)(H4,38,39,40)/t28-,29-,30+/m0/s1 XYGOLKBEGMSGIZ-OIFRRMEBSA-N 50398996 CHEMBL2180082 C-X-C chemokine receptor type 4 5370.32 ChEMBL 10.1021/jm300926y 10.7270/Q23779T3 23043442 Mungalpara, J; Thiele, S; Eriksen, Ø; Eksteen, J; Rosenkilde, MM; Vabeno, J University of Troms£ http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398996 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398996&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 71462703 163348020 CHEMBL2180082 ZINC95564841 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50972935 C[C@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC1=O InChI=1S/C33H40N8O6/c1-19-29(44)40-25(7-4-14-36-33(34)35)31(46)41-26(17-21-8-11-22-5-2-3-6-23(22)15-21)30(45)37-18-28(43)39-27(32(47)38-19)16-20-9-12-24(42)13-10-20/h2-3,5-6,8-13,15,19,25-27,42H,4,7,14,16-18H2,1H3,(H,37,45)(H,38,47)(H,39,43)(H,40,44)(H,41,46)(H4,34,35,36)/t19-,25+,26+,27-/m1/s1 ZLADCKHHHMLAMG-YFYVCGBBSA-N 50398997 CHEMBL2180081 C-X-C chemokine receptor type 4 19498.45 ChEMBL 10.1021/jm300926y 10.7270/Q23779T3 23043442 Mungalpara, J; Thiele, S; Eriksen, Ø; Eksteen, J; Rosenkilde, MM; Vabeno, J University of Troms£ http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398997 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398997&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 5278957 163348021 CHEMBL2180081 ZINC28476198 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50972936 C[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC1=O InChI=1S/C33H40N8O6/c1-19-29(44)40-25(7-4-14-36-33(34)35)31(46)41-26(17-21-8-11-22-5-2-3-6-23(22)15-21)30(45)37-18-28(43)39-27(32(47)38-19)16-20-9-12-24(42)13-10-20/h2-3,5-6,8-13,15,19,25-27,42H,4,7,14,16-18H2,1H3,(H,37,45)(H,38,47)(H,39,43)(H,40,44)(H,41,46)(H4,34,35,36)/t19-,25-,26-,27+/m0/s1 ZLADCKHHHMLAMG-HNDFRXHXSA-N 50398998 CHEMBL2180080 C-X-C chemokine receptor type 4 18620.87 ChEMBL 10.1021/jm300926y 10.7270/Q23779T3 23043442 Mungalpara, J; Thiele, S; Eriksen, Ø; Eksteen, J; Rosenkilde, MM; Vabeno, J University of Troms£ http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398998 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398998&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 5278959 163348022 CHEMBL2180080 ZINC28475792 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50972937 CC1(C)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC1=O InChI=1S/C34H42N8O6/c1-34(2)32(48)41-25(8-5-15-37-33(35)36)30(46)40-26(18-21-9-12-22-6-3-4-7-23(22)16-21)29(45)38-19-28(44)39-27(31(47)42-34)17-20-10-13-24(43)14-11-20/h3-4,6-7,9-14,16,25-27,43H,5,8,15,17-19H2,1-2H3,(H,38,45)(H,39,44)(H,40,46)(H,41,48)(H,42,47)(H4,35,36,37)/t25-,26-,27+/m0/s1 XCHJVQITCMEXNC-GMQQYTKMSA-N 50398999 CHEMBL2180079 C-X-C chemokine receptor type 4 3548.13 ChEMBL 10.1021/jm300926y 10.7270/Q23779T3 23043442 Mungalpara, J; Thiele, S; Eriksen, Ø; Eksteen, J; Rosenkilde, MM; Vabeno, J University of Troms£ http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398999 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398999&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 71455540 163348023 CHEMBL2180079 ZINC95564602 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50972938 NC(N)=NCCC[C@@H]1NC(=O)CNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O InChI=1S/C32H38N8O6/c33-32(34)35-13-3-6-24-31(46)40-26(16-20-7-10-21-4-1-2-5-22(21)14-20)30(45)37-18-28(43)39-25(29(44)36-17-27(42)38-24)15-19-8-11-23(41)12-9-19/h1-2,4-5,7-12,14,24-26,41H,3,6,13,15-18H2,(H,36,44)(H,37,45)(H,38,42)(H,39,43)(H,40,46)(H4,33,34,35)/t24-,25+,26-/m0/s1 CGEOGQIRVHRNEK-NXCFDTQHSA-N 50399000 CHEMBL2180078 C-X-C chemokine receptor type 4 36307.81 ChEMBL 10.1021/jm300926y 10.7270/Q23779T3 23043442 Mungalpara, J; Thiele, S; Eriksen, Ø; Eksteen, J; Rosenkilde, MM; Vabeno, J University of Troms£ http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50399000 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50399000&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 71462701 163348024 CHEMBL2180078 ZINC95564601 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50972939 NC(N)=NCCC[C@@H]1NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O InChI=1S/C36H47N11O6/c37-35(38)41-15-3-7-26-32(51)45-27(8-4-16-42-36(39)40)33(52)47-28(19-22-9-12-23-5-1-2-6-24(23)17-22)31(50)43-20-30(49)44-29(34(53)46-26)18-21-10-13-25(48)14-11-21/h1-2,5-6,9-14,17,26-29,48H,3-4,7-8,15-16,18-20H2,(H,43,50)(H,44,49)(H,45,51)(H,46,53)(H,47,52)(H4,37,38,41)(H4,39,40,42)/t26-,27+,28+,29-/m1/s1 MBXBICVKLVYNKD-GIFPIDKJSA-N 50399001 CHEMBL2180077 C-X-C chemokine receptor type 4 776.25 ChEMBL 10.1021/jm300926y 10.7270/Q23779T3 23043442 Mungalpara, J; Thiele, S; Eriksen, Ø; Eksteen, J; Rosenkilde, MM; Vabeno, J University of Troms£ http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50399001 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50399001&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 5278953 163348025 CHEMBL2180077 ZINC28477171 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50972940 NC(N)=NCCC[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O InChI=1S/C36H47N11O6/c37-35(38)41-15-3-7-26-32(51)45-27(8-4-16-42-36(39)40)33(52)47-28(19-22-9-12-23-5-1-2-6-24(23)17-22)31(50)43-20-30(49)44-29(34(53)46-26)18-21-10-13-25(48)14-11-21/h1-2,5-6,9-14,17,26-29,48H,3-4,7-8,15-16,18-20H2,(H,43,50)(H,44,49)(H,45,51)(H,46,53)(H,47,52)(H4,37,38,41)(H4,39,40,42)/t26-,27-,28-,29+/m0/s1 MBXBICVKLVYNKD-XFTNXAEASA-N 50399002 CHEMBL2180076 C-X-C chemokine receptor type 4 467.74 ChEMBL 10.1021/jm300926y 10.7270/Q23779T3 23043442 Mungalpara, J; Thiele, S; Eriksen, Ø; Eksteen, J; Rosenkilde, MM; Vabeno, J University of Troms£ http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50399002 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50399002&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 5275843 163348026 CHEMBL2180076 ZINC03925712 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50971304 C(N1CCCNCCNCCCNCC1)c1ccc(CN2CCCNCCNCCCNCC2)cc1 InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2 YIQPUIGJQJDJOS-UHFFFAOYSA-N 50035696 1,1''-{1,4-phenylenebis(methylene)}-bis{1,4,8,11-tetraaza-cyclotetradecane}::1,4,8,11-tetraazacyclotetradecanyl[4-(1,4,8,11-tetraazacyclotetradecanylmethyl)phenyl]methane::1,4,8,11-tetraazacyclotetradecanyl[4-(1,4,8,11-tetraazacyclotetradecanylmethyl)phenyl]methane(8HBr.2H2O)::1,4-bis((1,4,8,11-tetraazacyclotetradecan-1-yl)methyl)benzene::11''-xylyl bis-1,4,8,11-tetraazacyclotetradecane::11-{4-[4,8, 11-1,4,8,11tetraaza-cyclotetradec-1-ylmethyl]-benzyl}-1,4,8,11tetraaza-cyclotetradecane-1,4,8-tricarboxylic acid tri-tert-butyl ester::AMD-3100::CHEMBL18442::CHEMBL2311089::PLERIXAFOR::PLERIXAFOR OCTAHYDROCHLORIDE::US9205085, MSX-162 C-X-C chemokine receptor type 4 74 ChEMBL 10.1021/jm300682j 10.7270/Q2862HKR 22931505 Pease, J; Horuk, R National Heart and Lung Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50035696 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50035696&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 65015 103943663 CHEMBL2311089CHEMBL18442 DB06809 844 ZINC22443609 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51084029 NCCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 InChI=1S/C23H32N4/c24-12-3-4-14-27(22-11-5-9-18-10-6-13-25-23(18)22)17-21-15-19-7-1-2-8-20(19)16-26-21/h1-2,6-8,10,13,21-22,26H,3-5,9,11-12,14-17,24H2/t21-,22+/m1/s1 MYCKNKHATQGHEV-YADHBBJMSA-N 50443541 CHEMBL3091687 C-X-C chemokine receptor type 4 15 ChEMBL 10.1021/ml400183q 10.7270/Q2ZS2Z0K 24936240 Truax, VM; Zhao, H; Katzman, BM; Prosser, AR; Alcaraz, AA; Saindane, MT; Howard, RB; Culver, D; Arrendale, RF; Gruddanti, PR; Evers, TJ; Natchus, MG; Snyder, JP; Liotta, DC; Wilson, LJ Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50443541 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50443541&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 57345320 194941437 CHEMBL3091687 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51084030 NCCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 InChI=1S/C23H32N4/c24-12-3-4-14-27(22-11-5-9-18-10-6-13-25-23(18)22)17-21-15-19-7-1-2-8-20(19)16-26-21/h1-2,6-8,10,13,21-22,26H,3-5,9,11-12,14-17,24H2/t21-,22+/m1/s1 MYCKNKHATQGHEV-YADHBBJMSA-N 50443541 CHEMBL3091687 C-X-C chemokine receptor type 4 19 ChEMBL 10.1021/ml400183q 10.7270/Q2ZS2Z0K 24936240 Truax, VM; Zhao, H; Katzman, BM; Prosser, AR; Alcaraz, AA; Saindane, MT; Howard, RB; Culver, D; Arrendale, RF; Gruddanti, PR; Evers, TJ; Natchus, MG; Snyder, JP; Liotta, DC; Wilson, LJ Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50443541 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50443541&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 57345320 194941437 CHEMBL3091687 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51084031 NCCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 InChI=1S/C23H32N4/c24-12-3-4-14-27(22-11-5-9-18-10-6-13-25-23(18)22)17-21-15-19-7-1-2-8-20(19)16-26-21/h1-2,6-8,10,13,21-22,26H,3-5,9,11-12,14-17,24H2/t21-,22+/m1/s1 MYCKNKHATQGHEV-YADHBBJMSA-N 50443541 CHEMBL3091687 C-X-C chemokine receptor type 4 120 ChEMBL 10.1021/ml400183q 10.7270/Q2ZS2Z0K 24936240 Truax, VM; Zhao, H; Katzman, BM; Prosser, AR; Alcaraz, AA; Saindane, MT; Howard, RB; Culver, D; Arrendale, RF; Gruddanti, PR; Evers, TJ; Natchus, MG; Snyder, JP; Liotta, DC; Wilson, LJ Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50443541 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50443541&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 57345320 194941437 CHEMBL3091687 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51084032 C(N1CCCNCCNCCCNCC1)c1ccc(CN2CCCNCCNCCCNCC2)cc1 InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2 YIQPUIGJQJDJOS-UHFFFAOYSA-N 50035696 1,1''-{1,4-phenylenebis(methylene)}-bis{1,4,8,11-tetraaza-cyclotetradecane}::1,4,8,11-tetraazacyclotetradecanyl[4-(1,4,8,11-tetraazacyclotetradecanylmethyl)phenyl]methane::1,4,8,11-tetraazacyclotetradecanyl[4-(1,4,8,11-tetraazacyclotetradecanylmethyl)phenyl]methane(8HBr.2H2O)::1,4-bis((1,4,8,11-tetraazacyclotetradecan-1-yl)methyl)benzene::11''-xylyl bis-1,4,8,11-tetraazacyclotetradecane::11-{4-[4,8, 11-1,4,8,11tetraaza-cyclotetradec-1-ylmethyl]-benzyl}-1,4,8,11tetraaza-cyclotetradecane-1,4,8-tricarboxylic acid tri-tert-butyl ester::AMD-3100::CHEMBL18442::CHEMBL2311089::PLERIXAFOR::PLERIXAFOR OCTAHYDROCHLORIDE::US9205085, MSX-162 C-X-C chemokine receptor type 4 30 ChEMBL 10.1021/ml400183q 10.7270/Q2ZS2Z0K 24936240 Truax, VM; Zhao, H; Katzman, BM; Prosser, AR; Alcaraz, AA; Saindane, MT; Howard, RB; Culver, D; Arrendale, RF; Gruddanti, PR; Evers, TJ; Natchus, MG; Snyder, JP; Liotta, DC; Wilson, LJ Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50035696 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50035696&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 65015 103943663 CHEMBL2311089CHEMBL18442 DB06809 844 ZINC22443609 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51084033 NCCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 InChI=1S/C23H32N4/c24-12-3-4-14-27(22-11-5-9-18-10-6-13-25-23(18)22)17-21-15-19-7-1-2-8-20(19)16-26-21/h1-2,6-8,10,13,21-22,26H,3-5,9,11-12,14-17,24H2/t21-,22+/m1/s1 MYCKNKHATQGHEV-YADHBBJMSA-N 50443541 CHEMBL3091687 C-X-C chemokine receptor type 4 35 ChEMBL 10.1021/ml400183q 10.7270/Q2ZS2Z0K 24936240 Truax, VM; Zhao, H; Katzman, BM; Prosser, AR; Alcaraz, AA; Saindane, MT; Howard, RB; Culver, D; Arrendale, RF; Gruddanti, PR; Evers, TJ; Natchus, MG; Snyder, JP; Liotta, DC; Wilson, LJ Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50443541 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50443541&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 57345320 194941437 CHEMBL3091687 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51084034 CN(C)C(=O)NCCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 InChI=1S/C26H37N5O/c1-30(2)26(32)28-14-5-6-16-31(24-13-7-11-20-12-8-15-27-25(20)24)19-23-17-21-9-3-4-10-22(21)18-29-23/h3-4,8-10,12,15,23-24,29H,5-7,11,13-14,16-19H2,1-2H3,(H,28,32)/t23-,24+/m1/s1 UBJIKKSURAYJIB-RPWUZVMVSA-N 50443542 CHEMBL3091686 C-X-C chemokine receptor type 4 180 ChEMBL 10.1021/ml400183q 10.7270/Q2ZS2Z0K 24936240 Truax, VM; Zhao, H; Katzman, BM; Prosser, AR; Alcaraz, AA; Saindane, MT; Howard, RB; Culver, D; Arrendale, RF; Gruddanti, PR; Evers, TJ; Natchus, MG; Snyder, JP; Liotta, DC; Wilson, LJ Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50443542 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50443542&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 76309931 194941438 CHEMBL3091686 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51084035 NC(=O)NCCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 InChI=1S/C24H33N5O/c25-24(30)27-12-3-4-14-29(22-11-5-9-18-10-6-13-26-23(18)22)17-21-15-19-7-1-2-8-20(19)16-28-21/h1-2,6-8,10,13,21-22,28H,3-5,9,11-12,14-17H2,(H3,25,27,30)/t21-,22+/m1/s1 VETWTFKXJFDZKC-YADHBBJMSA-N 50443543 CHEMBL3091685 C-X-C chemokine receptor type 4 3.0 ChEMBL 10.1021/ml400183q 10.7270/Q2ZS2Z0K 24936240 Truax, VM; Zhao, H; Katzman, BM; Prosser, AR; Alcaraz, AA; Saindane, MT; Howard, RB; Culver, D; Arrendale, RF; Gruddanti, PR; Evers, TJ; Natchus, MG; Snyder, JP; Liotta, DC; Wilson, LJ Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50443543 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50443543&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 76331766 194941439 CHEMBL3091685 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51084036 CC(=O)NCCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 InChI=1S/C25H34N4O/c1-19(30)26-13-4-5-15-29(24-12-6-10-20-11-7-14-27-25(20)24)18-23-16-21-8-2-3-9-22(21)17-28-23/h2-3,7-9,11,14,23-24,28H,4-6,10,12-13,15-18H2,1H3,(H,26,30)/t23-,24+/m1/s1 WUOLIJZZXQWJCP-RPWUZVMVSA-N 50443544 CHEMBL3091684 C-X-C chemokine receptor type 4 4.0 ChEMBL 10.1021/ml400183q 10.7270/Q2ZS2Z0K 24936240 Truax, VM; Zhao, H; Katzman, BM; Prosser, AR; Alcaraz, AA; Saindane, MT; Howard, RB; Culver, D; Arrendale, RF; Gruddanti, PR; Evers, TJ; Natchus, MG; Snyder, JP; Liotta, DC; Wilson, LJ Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50443544 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50443544&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 76335355 194941440 CHEMBL3091684 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51084037 C(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)CNCc1ccccn1 InChI=1S/C29H37N5/c1-2-10-25-20-33-27(19-24(25)9-1)22-34(28-14-7-11-23-12-8-17-32-29(23)28)18-6-5-15-30-21-26-13-3-4-16-31-26/h1-4,8-10,12-13,16-17,27-28,30,33H,5-7,11,14-15,18-22H2/t27-,28+/m1/s1 DBUIDMKLHBXFJG-IZLXSDGUSA-N 50443545 CHEMBL3091683 C-X-C chemokine receptor type 4 1.000000 ChEMBL 10.1021/ml400183q 10.7270/Q2ZS2Z0K 24936240 Truax, VM; Zhao, H; Katzman, BM; Prosser, AR; Alcaraz, AA; Saindane, MT; Howard, RB; Culver, D; Arrendale, RF; Gruddanti, PR; Evers, TJ; Natchus, MG; Snyder, JP; Liotta, DC; Wilson, LJ Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50443545 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50443545&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 76324529 194941441 CHEMBL3091683 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51084038 CC(C)NCCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 InChI=1S/C26H38N4/c1-20(2)27-14-5-6-16-30(25-13-7-11-21-12-8-15-28-26(21)25)19-24-17-22-9-3-4-10-23(22)18-29-24/h3-4,8-10,12,15,20,24-25,27,29H,5-7,11,13-14,16-19H2,1-2H3/t24-,25+/m1/s1 BDYAGFDVEYDCAS-RPBOFIJWSA-N 50443546 CHEMBL3091682 C-X-C chemokine receptor type 4 7.0 ChEMBL 10.1021/ml400183q 10.7270/Q2ZS2Z0K 24936240 Truax, VM; Zhao, H; Katzman, BM; Prosser, AR; Alcaraz, AA; Saindane, MT; Howard, RB; Culver, D; Arrendale, RF; Gruddanti, PR; Evers, TJ; Natchus, MG; Snyder, JP; Liotta, DC; Wilson, LJ Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50443546 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50443546&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 72546295 194941442 CHEMBL3091682 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51084039 CN(C)CCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 InChI=1S/C25H36N4/c1-28(2)15-5-6-16-29(24-13-7-11-20-12-8-14-26-25(20)24)19-23-17-21-9-3-4-10-22(21)18-27-23/h3-4,8-10,12,14,23-24,27H,5-7,11,13,15-19H2,1-2H3/t23-,24+/m1/s1 KQLCACFTEAVADT-RPWUZVMVSA-N 50443547 CHEMBL3091681 C-X-C chemokine receptor type 4 8.0 ChEMBL 10.1021/ml400183q 10.7270/Q2ZS2Z0K 24936240 Truax, VM; Zhao, H; Katzman, BM; Prosser, AR; Alcaraz, AA; Saindane, MT; Howard, RB; Culver, D; Arrendale, RF; Gruddanti, PR; Evers, TJ; Natchus, MG; Snyder, JP; Liotta, DC; Wilson, LJ Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50443547 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50443547&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 72546294 194941443 CHEMBL3091681 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51084040 CC(C)N1Cc2ccccc2C[C@@H]1CN(CCCCN)[C@H]1CCCc2cccnc12 InChI=1S/C26H38N4/c1-20(2)30-18-23-10-4-3-9-22(23)17-24(30)19-29(16-6-5-14-27)25-13-7-11-21-12-8-15-28-26(21)25/h3-4,8-10,12,15,20,24-25H,5-7,11,13-14,16-19,27H2,1-2H3/t24-,25+/m1/s1 XGDFDKUAACCDGW-RPBOFIJWSA-N 50443548 CHEMBL3091694 C-X-C chemokine receptor type 4 140 ChEMBL 10.1021/ml400183q 10.7270/Q2ZS2Z0K 24936240 Truax, VM; Zhao, H; Katzman, BM; Prosser, AR; Alcaraz, AA; Saindane, MT; Howard, RB; Culver, D; Arrendale, RF; Gruddanti, PR; Evers, TJ; Natchus, MG; Snyder, JP; Liotta, DC; Wilson, LJ Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50443548 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50443548&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 72546066 194941444 CHEMBL3091694 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51084041 CN1Cc2ccccc2C[C@@H]1CN(CCCCN)[C@H]1CCCc2cccnc12 InChI=1S/C24H34N4/c1-27-17-21-9-3-2-8-20(21)16-22(27)18-28(15-5-4-13-25)23-12-6-10-19-11-7-14-26-24(19)23/h2-3,7-9,11,14,22-23H,4-6,10,12-13,15-18,25H2,1H3/t22-,23+/m1/s1 IJNWUQIMILTCRR-PKTZIBPZSA-N 50443549 CHEMBL3091693 C-X-C chemokine receptor type 4 39 ChEMBL 10.1021/ml400183q 10.7270/Q2ZS2Z0K 24936240 Truax, VM; Zhao, H; Katzman, BM; Prosser, AR; Alcaraz, AA; Saindane, MT; Howard, RB; Culver, D; Arrendale, RF; Gruddanti, PR; Evers, TJ; Natchus, MG; Snyder, JP; Liotta, DC; Wilson, LJ Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50443549 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50443549&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 72546065 194941445 CHEMBL3091693 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51084042 NCCCCN(C[C@H]1Cc2ccccc2CN1CC(=O)N1CCOCC1)[C@H]1CCCc2cccnc12 InChI=1S/C29H41N5O2/c30-12-3-4-14-33(27-11-5-9-23-10-6-13-31-29(23)27)21-26-19-24-7-1-2-8-25(24)20-34(26)22-28(35)32-15-17-36-18-16-32/h1-2,6-8,10,13,26-27H,3-5,9,11-12,14-22,30H2/t26-,27+/m1/s1 CSBQEOIXCUQRGT-SXOMAYOGSA-N 50443550 CHEMBL3091692 C-X-C chemokine receptor type 4 570 ChEMBL 10.1021/ml400183q 10.7270/Q2ZS2Z0K 24936240 Truax, VM; Zhao, H; Katzman, BM; Prosser, AR; Alcaraz, AA; Saindane, MT; Howard, RB; Culver, D; Arrendale, RF; Gruddanti, PR; Evers, TJ; Natchus, MG; Snyder, JP; Liotta, DC; Wilson, LJ Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50443550 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50443550&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 72546064 194941446 CHEMBL3091692 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51084043 NCCCCN(C[C@H]1Cc2ccccc2CN1Cc1cocn1)[C@H]1CCCc2cccnc12 InChI=1S/C27H35N5O/c28-12-3-4-14-31(26-11-5-9-21-10-6-13-29-27(21)26)18-25-15-22-7-1-2-8-23(22)16-32(25)17-24-19-33-20-30-24/h1-2,6-8,10,13,19-20,25-26H,3-5,9,11-12,14-18,28H2/t25-,26+/m1/s1 HTNXALKBALBHKV-FTJBHMTQSA-N 50443551 CHEMBL3091691 C-X-C chemokine receptor type 4 490 ChEMBL 10.1021/ml400183q 10.7270/Q2ZS2Z0K 24936240 Truax, VM; Zhao, H; Katzman, BM; Prosser, AR; Alcaraz, AA; Saindane, MT; Howard, RB; Culver, D; Arrendale, RF; Gruddanti, PR; Evers, TJ; Natchus, MG; Snyder, JP; Liotta, DC; Wilson, LJ Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50443551 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50443551&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 72546063 194941447 CHEMBL3091691 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51084044 NCCCCN(C[C@H]1Cc2ccccc2CN1Cc1ccncc1)[C@H]1CCCc2cccnc12 InChI=1S/C29H37N5/c30-14-3-4-18-33(28-11-5-9-24-10-6-15-32-29(24)28)22-27-19-25-7-1-2-8-26(25)21-34(27)20-23-12-16-31-17-13-23/h1-2,6-8,10,12-13,15-17,27-28H,3-5,9,11,14,18-22,30H2/t27-,28+/m1/s1 BGWQKCHJKBRVRX-IZLXSDGUSA-N 50443552 CHEMBL3091690 C-X-C chemokine receptor type 4 660 ChEMBL 10.1021/ml400183q 10.7270/Q2ZS2Z0K 24936240 Truax, VM; Zhao, H; Katzman, BM; Prosser, AR; Alcaraz, AA; Saindane, MT; Howard, RB; Culver, D; Arrendale, RF; Gruddanti, PR; Evers, TJ; Natchus, MG; Snyder, JP; Liotta, DC; Wilson, LJ Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50443552 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50443552&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 72546062 194941448 CHEMBL3091690 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51084045 NCCCCN(C[C@H]1Cc2ccccc2CN1Cc1cccnc1)[C@H]1CCCc2cccnc12 InChI=1S/C29H37N5/c30-14-3-4-17-33(28-13-5-11-24-12-7-16-32-29(24)28)22-27-18-25-9-1-2-10-26(25)21-34(27)20-23-8-6-15-31-19-23/h1-2,6-10,12,15-16,19,27-28H,3-5,11,13-14,17-18,20-22,30H2/t27-,28+/m1/s1 KWHOMQOPKZXAAF-IZLXSDGUSA-N 50443553 CHEMBL3091689 C-X-C chemokine receptor type 4 350 ChEMBL 10.1021/ml400183q 10.7270/Q2ZS2Z0K 24936240 Truax, VM; Zhao, H; Katzman, BM; Prosser, AR; Alcaraz, AA; Saindane, MT; Howard, RB; Culver, D; Arrendale, RF; Gruddanti, PR; Evers, TJ; Natchus, MG; Snyder, JP; Liotta, DC; Wilson, LJ Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50443553 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50443553&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 72546061 194941449 CHEMBL3091689 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51084046 NCCCCN(C[C@H]1Cc2ccccc2CN1Cc1ccccn1)[C@H]1CCCc2cccnc12 InChI=1S/C29H37N5/c30-15-4-6-18-33(28-14-7-11-23-12-8-17-32-29(23)28)22-27-19-24-9-1-2-10-25(24)20-34(27)21-26-13-3-5-16-31-26/h1-3,5,8-10,12-13,16-17,27-28H,4,6-7,11,14-15,18-22,30H2/t27-,28+/m1/s1 HJLXLTVQHZGORL-IZLXSDGUSA-N 50443554 CHEMBL3091688 C-X-C chemokine receptor type 4 56 ChEMBL 10.1021/ml400183q 10.7270/Q2ZS2Z0K 24936240 Truax, VM; Zhao, H; Katzman, BM; Prosser, AR; Alcaraz, AA; Saindane, MT; Howard, RB; Culver, D; Arrendale, RF; Gruddanti, PR; Evers, TJ; Natchus, MG; Snyder, JP; Liotta, DC; Wilson, LJ Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50443554 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50443554&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 72545830 194941450 CHEMBL3091688 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51084047 NCCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 InChI=1S/C23H32N4/c24-12-3-4-14-27(22-11-5-9-18-10-6-13-25-23(18)22)17-21-15-19-7-1-2-8-20(19)16-26-21/h1-2,6-8,10,13,21-22,26H,3-5,9,11-12,14-17,24H2/t21-,22+/m1/s1 MYCKNKHATQGHEV-YADHBBJMSA-N 50443541 CHEMBL3091687 C-X-C chemokine receptor type 4 3.0 ChEMBL 10.1021/ml400183q 10.7270/Q2ZS2Z0K 24936240 Truax, VM; Zhao, H; Katzman, BM; Prosser, AR; Alcaraz, AA; Saindane, MT; Howard, RB; Culver, D; Arrendale, RF; Gruddanti, PR; Evers, TJ; Natchus, MG; Snyder, JP; Liotta, DC; Wilson, LJ Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50443541 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50443541&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 57345320 194941437 CHEMBL3091687 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51084048 NCCCCN(C[C@H]1NCCc2ccccc12)[C@H]1CCCc2cccnc12 InChI=1S/C23H32N4/c24-13-3-4-16-27(22-11-5-8-19-9-6-14-26-23(19)22)17-21-20-10-2-1-7-18(20)12-15-25-21/h1-2,6-7,9-10,14,21-22,25H,3-5,8,11-13,15-17,24H2/t21-,22+/m1/s1 UFBUAAGSLDNFTI-YADHBBJMSA-N 50443555 CHEMBL3091676 C-X-C chemokine receptor type 4 450 ChEMBL 10.1021/ml400183q 10.7270/Q2ZS2Z0K 24936240 Truax, VM; Zhao, H; Katzman, BM; Prosser, AR; Alcaraz, AA; Saindane, MT; Howard, RB; Culver, D; Arrendale, RF; Gruddanti, PR; Evers, TJ; Natchus, MG; Snyder, JP; Liotta, DC; Wilson, LJ Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50443555 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50443555&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 76313651 194941451 CHEMBL3091676 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51084049 NCCCCN(C[C@@H]1NCCc2ccccc12)[C@H]1CCCc2cccnc12 InChI=1S/C23H32N4/c24-13-3-4-16-27(22-11-5-8-19-9-6-14-26-23(19)22)17-21-20-10-2-1-7-18(20)12-15-25-21/h1-2,6-7,9-10,14,21-22,25H,3-5,8,11-13,15-17,24H2/t21-,22-/m0/s1 UFBUAAGSLDNFTI-VXKWHMMOSA-N 50443556 CHEMBL3091678 C-X-C chemokine receptor type 4 250 ChEMBL 10.1021/ml400183q 10.7270/Q2ZS2Z0K 24936240 Truax, VM; Zhao, H; Katzman, BM; Prosser, AR; Alcaraz, AA; Saindane, MT; Howard, RB; Culver, D; Arrendale, RF; Gruddanti, PR; Evers, TJ; Natchus, MG; Snyder, JP; Liotta, DC; Wilson, LJ Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50443556 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50443556&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 57343965 194941452 CHEMBL3091678 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51084050 NCCCCN(C[C@@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 InChI=1S/C23H32N4/c24-12-3-4-14-27(22-11-5-9-18-10-6-13-25-23(18)22)17-21-15-19-7-1-2-8-20(19)16-26-21/h1-2,6-8,10,13,21-22,26H,3-5,9,11-12,14-17,24H2/t21-,22-/m0/s1 MYCKNKHATQGHEV-VXKWHMMOSA-N 50443557 CHEMBL3091677 C-X-C chemokine receptor type 4 1360 ChEMBL 10.1021/ml400183q 10.7270/Q2ZS2Z0K 24936240 Truax, VM; Zhao, H; Katzman, BM; Prosser, AR; Alcaraz, AA; Saindane, MT; Howard, RB; Culver, D; Arrendale, RF; Gruddanti, PR; Evers, TJ; Natchus, MG; Snyder, JP; Liotta, DC; Wilson, LJ Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50443557 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50443557&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 57345319 194941453 CHEMBL3091677 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51084051 NCCCCN(C[C@@H]1CCc2ccccc2N1)[C@H]1CCCc2cccnc12 InChI=1S/C23H32N4/c24-14-3-4-16-27(22-11-5-8-19-9-6-15-25-23(19)22)17-20-13-12-18-7-1-2-10-21(18)26-20/h1-2,6-7,9-10,15,20,22,26H,3-5,8,11-14,16-17,24H2/t20-,22-/m0/s1 KRKPKZOTZGHYAF-UNMCSNQZSA-N 50443558 CHEMBL3091679 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/ml400183q 10.7270/Q2ZS2Z0K 24936240 Truax, VM; Zhao, H; Katzman, BM; Prosser, AR; Alcaraz, AA; Saindane, MT; Howard, RB; Culver, D; Arrendale, RF; Gruddanti, PR; Evers, TJ; Natchus, MG; Snyder, JP; Liotta, DC; Wilson, LJ Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50443558 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50443558&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 57343966 194941454 CHEMBL3091679 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51084052 NCCCCN(C[C@H]1CCc2ccccc2N1)[C@H]1CCCc2cccnc12 InChI=1S/C23H32N4/c24-14-3-4-16-27(22-11-5-8-19-9-6-15-25-23(19)22)17-20-13-12-18-7-1-2-10-21(18)26-20/h1-2,6-7,9-10,15,20,22,26H,3-5,8,11-14,16-17,24H2/t20-,22+/m1/s1 KRKPKZOTZGHYAF-IRLDBZIGSA-N 50443559 CHEMBL3091680 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/ml400183q 10.7270/Q2ZS2Z0K 24936240 Truax, VM; Zhao, H; Katzman, BM; Prosser, AR; Alcaraz, AA; Saindane, MT; Howard, RB; Culver, D; Arrendale, RF; Gruddanti, PR; Evers, TJ; Natchus, MG; Snyder, JP; Liotta, DC; Wilson, LJ Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50443559 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50443559&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 57343967 194941455 CHEMBL3091680 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51084053 CN(C)C(=O)NCCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 InChI=1S/C26H37N5O/c1-30(2)26(32)28-14-5-6-16-31(24-13-7-11-20-12-8-15-27-25(20)24)19-23-17-21-9-3-4-10-22(21)18-29-23/h3-4,8-10,12,15,23-24,29H,5-7,11,13-14,16-19H2,1-2H3,(H,28,32)/t23-,24+/m1/s1 UBJIKKSURAYJIB-RPWUZVMVSA-N 50443542 CHEMBL3091686 C-X-C chemokine receptor type 4 420 ChEMBL 10.1021/ml400183q 10.7270/Q2ZS2Z0K 24936240 Truax, VM; Zhao, H; Katzman, BM; Prosser, AR; Alcaraz, AA; Saindane, MT; Howard, RB; Culver, D; Arrendale, RF; Gruddanti, PR; Evers, TJ; Natchus, MG; Snyder, JP; Liotta, DC; Wilson, LJ Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50443542 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50443542&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 76309931 194941438 CHEMBL3091686 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51084054 NC(=O)NCCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 InChI=1S/C24H33N5O/c25-24(30)27-12-3-4-14-29(22-11-5-9-18-10-6-13-26-23(18)22)17-21-15-19-7-1-2-8-20(19)16-28-21/h1-2,6-8,10,13,21-22,28H,3-5,9,11-12,14-17H2,(H3,25,27,30)/t21-,22+/m1/s1 VETWTFKXJFDZKC-YADHBBJMSA-N 50443543 CHEMBL3091685 C-X-C chemokine receptor type 4 210 ChEMBL 10.1021/ml400183q 10.7270/Q2ZS2Z0K 24936240 Truax, VM; Zhao, H; Katzman, BM; Prosser, AR; Alcaraz, AA; Saindane, MT; Howard, RB; Culver, D; Arrendale, RF; Gruddanti, PR; Evers, TJ; Natchus, MG; Snyder, JP; Liotta, DC; Wilson, LJ Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50443543 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50443543&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 76331766 194941439 CHEMBL3091685 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51084055 CC(=O)NCCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 InChI=1S/C25H34N4O/c1-19(30)26-13-4-5-15-29(24-12-6-10-20-11-7-14-27-25(20)24)18-23-16-21-8-2-3-9-22(21)17-28-23/h2-3,7-9,11,14,23-24,28H,4-6,10,12-13,15-18H2,1H3,(H,26,30)/t23-,24+/m1/s1 WUOLIJZZXQWJCP-RPWUZVMVSA-N 50443544 CHEMBL3091684 C-X-C chemokine receptor type 4 290 ChEMBL 10.1021/ml400183q 10.7270/Q2ZS2Z0K 24936240 Truax, VM; Zhao, H; Katzman, BM; Prosser, AR; Alcaraz, AA; Saindane, MT; Howard, RB; Culver, D; Arrendale, RF; Gruddanti, PR; Evers, TJ; Natchus, MG; Snyder, JP; Liotta, DC; Wilson, LJ Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50443544 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50443544&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 76335355 194941440 CHEMBL3091684 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51084056 C(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)CNCc1ccccn1 InChI=1S/C29H37N5/c1-2-10-25-20-33-27(19-24(25)9-1)22-34(28-14-7-11-23-12-8-17-32-29(23)28)18-6-5-15-30-21-26-13-3-4-16-31-26/h1-4,8-10,12-13,16-17,27-28,30,33H,5-7,11,14-15,18-22H2/t27-,28+/m1/s1 DBUIDMKLHBXFJG-IZLXSDGUSA-N 50443545 CHEMBL3091683 C-X-C chemokine receptor type 4 120 ChEMBL 10.1021/ml400183q 10.7270/Q2ZS2Z0K 24936240 Truax, VM; Zhao, H; Katzman, BM; Prosser, AR; Alcaraz, AA; Saindane, MT; Howard, RB; Culver, D; Arrendale, RF; Gruddanti, PR; Evers, TJ; Natchus, MG; Snyder, JP; Liotta, DC; Wilson, LJ Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50443545 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50443545&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 76324529 194941441 CHEMBL3091683 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51084057 CC(C)NCCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 InChI=1S/C26H38N4/c1-20(2)27-14-5-6-16-30(25-13-7-11-21-12-8-15-28-26(21)25)19-24-17-22-9-3-4-10-23(22)18-29-24/h3-4,8-10,12,15,20,24-25,27,29H,5-7,11,13-14,16-19H2,1-2H3/t24-,25+/m1/s1 BDYAGFDVEYDCAS-RPBOFIJWSA-N 50443546 CHEMBL3091682 C-X-C chemokine receptor type 4 40 ChEMBL 10.1021/ml400183q 10.7270/Q2ZS2Z0K 24936240 Truax, VM; Zhao, H; Katzman, BM; Prosser, AR; Alcaraz, AA; Saindane, MT; Howard, RB; Culver, D; Arrendale, RF; Gruddanti, PR; Evers, TJ; Natchus, MG; Snyder, JP; Liotta, DC; Wilson, LJ Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50443546 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50443546&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 72546295 194941442 CHEMBL3091682 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51084058 CN(C)CCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 InChI=1S/C25H36N4/c1-28(2)15-5-6-16-29(24-13-7-11-20-12-8-14-26-25(20)24)19-23-17-21-9-3-4-10-22(21)18-27-23/h3-4,8-10,12,14,23-24,27H,5-7,11,13,15-19H2,1-2H3/t23-,24+/m1/s1 KQLCACFTEAVADT-RPWUZVMVSA-N 50443547 CHEMBL3091681 C-X-C chemokine receptor type 4 30 ChEMBL 10.1021/ml400183q 10.7270/Q2ZS2Z0K 24936240 Truax, VM; Zhao, H; Katzman, BM; Prosser, AR; Alcaraz, AA; Saindane, MT; Howard, RB; Culver, D; Arrendale, RF; Gruddanti, PR; Evers, TJ; Natchus, MG; Snyder, JP; Liotta, DC; Wilson, LJ Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50443547 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50443547&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 72546294 194941443 CHEMBL3091681 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51084059 CC(C)N1Cc2ccccc2C[C@@H]1CN(CCCCN)[C@H]1CCCc2cccnc12 InChI=1S/C26H38N4/c1-20(2)30-18-23-10-4-3-9-22(23)17-24(30)19-29(16-6-5-14-27)25-13-7-11-21-12-8-15-28-26(21)25/h3-4,8-10,12,15,20,24-25H,5-7,11,13-14,16-19,27H2,1-2H3/t24-,25+/m1/s1 XGDFDKUAACCDGW-RPBOFIJWSA-N 50443548 CHEMBL3091694 C-X-C chemokine receptor type 4 20 ChEMBL 10.1021/ml400183q 10.7270/Q2ZS2Z0K 24936240 Truax, VM; Zhao, H; Katzman, BM; Prosser, AR; Alcaraz, AA; Saindane, MT; Howard, RB; Culver, D; Arrendale, RF; Gruddanti, PR; Evers, TJ; Natchus, MG; Snyder, JP; Liotta, DC; Wilson, LJ Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50443548 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50443548&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 72546066 194941444 CHEMBL3091694 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51084060 CN1Cc2ccccc2C[C@@H]1CN(CCCCN)[C@H]1CCCc2cccnc12 InChI=1S/C24H34N4/c1-27-17-21-9-3-2-8-20(21)16-22(27)18-28(15-5-4-13-25)23-12-6-10-19-11-7-14-26-24(19)23/h2-3,7-9,11,14,22-23H,4-6,10,12-13,15-18,25H2,1H3/t22-,23+/m1/s1 IJNWUQIMILTCRR-PKTZIBPZSA-N 50443549 CHEMBL3091693 C-X-C chemokine receptor type 4 20 ChEMBL 10.1021/ml400183q 10.7270/Q2ZS2Z0K 24936240 Truax, VM; Zhao, H; Katzman, BM; Prosser, AR; Alcaraz, AA; Saindane, MT; Howard, RB; Culver, D; Arrendale, RF; Gruddanti, PR; Evers, TJ; Natchus, MG; Snyder, JP; Liotta, DC; Wilson, LJ Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50443549 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50443549&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 72546065 194941445 CHEMBL3091693 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51084061 NCCCCN(C[C@H]1Cc2ccccc2CN1CC(=O)N1CCOCC1)[C@H]1CCCc2cccnc12 InChI=1S/C29H41N5O2/c30-12-3-4-14-33(27-11-5-9-23-10-6-13-31-29(23)27)21-26-19-24-7-1-2-8-25(24)20-34(26)22-28(35)32-15-17-36-18-16-32/h1-2,6-8,10,13,26-27H,3-5,9,11-12,14-22,30H2/t26-,27+/m1/s1 CSBQEOIXCUQRGT-SXOMAYOGSA-N 50443550 CHEMBL3091692 C-X-C chemokine receptor type 4 80 ChEMBL 10.1021/ml400183q 10.7270/Q2ZS2Z0K 24936240 Truax, VM; Zhao, H; Katzman, BM; Prosser, AR; Alcaraz, AA; Saindane, MT; Howard, RB; Culver, D; Arrendale, RF; Gruddanti, PR; Evers, TJ; Natchus, MG; Snyder, JP; Liotta, DC; Wilson, LJ Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50443550 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50443550&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 72546064 194941446 CHEMBL3091692 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51084062 NCCCCN(C[C@H]1Cc2ccccc2CN1Cc1cocn1)[C@H]1CCCc2cccnc12 InChI=1S/C27H35N5O/c28-12-3-4-14-31(26-11-5-9-21-10-6-13-29-27(21)26)18-25-15-22-7-1-2-8-23(22)16-32(25)17-24-19-33-20-30-24/h1-2,6-8,10,13,19-20,25-26H,3-5,9,11-12,14-18,28H2/t25-,26+/m1/s1 HTNXALKBALBHKV-FTJBHMTQSA-N 50443551 CHEMBL3091691 C-X-C chemokine receptor type 4 40 ChEMBL 10.1021/ml400183q 10.7270/Q2ZS2Z0K 24936240 Truax, VM; Zhao, H; Katzman, BM; Prosser, AR; Alcaraz, AA; Saindane, MT; Howard, RB; Culver, D; Arrendale, RF; Gruddanti, PR; Evers, TJ; Natchus, MG; Snyder, JP; Liotta, DC; Wilson, LJ Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50443551 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50443551&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 72546063 194941447 CHEMBL3091691 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51084063 NCCCCN(C[C@H]1Cc2ccccc2CN1Cc1ccncc1)[C@H]1CCCc2cccnc12 InChI=1S/C29H37N5/c30-14-3-4-18-33(28-11-5-9-24-10-6-15-32-29(24)28)22-27-19-25-7-1-2-8-26(25)21-34(27)20-23-12-16-31-17-13-23/h1-2,6-8,10,12-13,15-17,27-28H,3-5,9,11,14,18-22,30H2/t27-,28+/m1/s1 BGWQKCHJKBRVRX-IZLXSDGUSA-N 50443552 CHEMBL3091690 C-X-C chemokine receptor type 4 60 ChEMBL 10.1021/ml400183q 10.7270/Q2ZS2Z0K 24936240 Truax, VM; Zhao, H; Katzman, BM; Prosser, AR; Alcaraz, AA; Saindane, MT; Howard, RB; Culver, D; Arrendale, RF; Gruddanti, PR; Evers, TJ; Natchus, MG; Snyder, JP; Liotta, DC; Wilson, LJ Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50443552 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50443552&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 72546062 194941448 CHEMBL3091690 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51084064 NCCCCN(C[C@H]1Cc2ccccc2CN1Cc1cccnc1)[C@H]1CCCc2cccnc12 InChI=1S/C29H37N5/c30-14-3-4-17-33(28-13-5-11-24-12-7-16-32-29(24)28)22-27-18-25-9-1-2-10-26(25)21-34(27)20-23-8-6-15-31-19-23/h1-2,6-10,12,15-16,19,27-28H,3-5,11,13-14,17-18,20-22,30H2/t27-,28+/m1/s1 KWHOMQOPKZXAAF-IZLXSDGUSA-N 50443553 CHEMBL3091689 C-X-C chemokine receptor type 4 70 ChEMBL 10.1021/ml400183q 10.7270/Q2ZS2Z0K 24936240 Truax, VM; Zhao, H; Katzman, BM; Prosser, AR; Alcaraz, AA; Saindane, MT; Howard, RB; Culver, D; Arrendale, RF; Gruddanti, PR; Evers, TJ; Natchus, MG; Snyder, JP; Liotta, DC; Wilson, LJ Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50443553 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50443553&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 72546061 194941449 CHEMBL3091689 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51084065 NCCCCN(C[C@H]1Cc2ccccc2CN1Cc1ccccn1)[C@H]1CCCc2cccnc12 InChI=1S/C29H37N5/c30-15-4-6-18-33(28-14-7-11-23-12-8-17-32-29(23)28)22-27-19-24-9-1-2-10-25(24)20-34(27)21-26-13-3-5-16-31-26/h1-3,5,8-10,12-13,16-17,27-28H,4,6-7,11,14-15,18-22,30H2/t27-,28+/m1/s1 HJLXLTVQHZGORL-IZLXSDGUSA-N 50443554 CHEMBL3091688 C-X-C chemokine receptor type 4 60 ChEMBL 10.1021/ml400183q 10.7270/Q2ZS2Z0K 24936240 Truax, VM; Zhao, H; Katzman, BM; Prosser, AR; Alcaraz, AA; Saindane, MT; Howard, RB; Culver, D; Arrendale, RF; Gruddanti, PR; Evers, TJ; Natchus, MG; Snyder, JP; Liotta, DC; Wilson, LJ Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50443554 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50443554&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 72545830 194941450 CHEMBL3091688 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51084066 NCCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 InChI=1S/C23H32N4/c24-12-3-4-14-27(22-11-5-9-18-10-6-13-25-23(18)22)17-21-15-19-7-1-2-8-20(19)16-26-21/h1-2,6-8,10,13,21-22,26H,3-5,9,11-12,14-17,24H2/t21-,22+/m1/s1 MYCKNKHATQGHEV-YADHBBJMSA-N 50443541 CHEMBL3091687 C-X-C chemokine receptor type 4 5.0 ChEMBL 10.1021/ml400183q 10.7270/Q2ZS2Z0K 24936240 Truax, VM; Zhao, H; Katzman, BM; Prosser, AR; Alcaraz, AA; Saindane, MT; Howard, RB; Culver, D; Arrendale, RF; Gruddanti, PR; Evers, TJ; Natchus, MG; Snyder, JP; Liotta, DC; Wilson, LJ Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50443541 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50443541&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 57345320 194941437 CHEMBL3091687 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51084067 NCCCCN(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc12 InChI=1S/C21H27N5/c22-12-3-4-14-26(15-20-24-17-9-1-2-10-18(17)25-20)19-11-5-7-16-8-6-13-23-21(16)19/h1-2,6,8-10,13,19H,3-5,7,11-12,14-15,22H2,(H,24,25)/t19-/m0/s1 WVLHHLRVNDMIAR-IBGZPJMESA-N 50315305 (S)-N-((1H-benzo[d]imidazol-2-yl)methyl)-N-(4-aminobutyl)-5,6,7,8-tetrahydroquinolin-8-amine::(S)-N1-((1H-benzo[d]imidazol-2-yl)methyl)-N1-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine::CHEMBL518924 C-X-C chemokine receptor type 4 30 ChEMBL 10.1021/ml400183q 10.7270/Q2ZS2Z0K 24936240 Truax, VM; Zhao, H; Katzman, BM; Prosser, AR; Alcaraz, AA; Saindane, MT; Howard, RB; Culver, D; Arrendale, RF; Gruddanti, PR; Evers, TJ; Natchus, MG; Snyder, JP; Liotta, DC; Wilson, LJ Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315305 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315305&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 11256587 104149666 CHEMBL518924 ZINC33359232 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50977347 C(NCc1ccccn1)c1ccc(CN2CCCNCCNCCCNCC2)cc1 InChI=1S/C24H38N6/c1-2-13-29-24(5-1)20-28-19-22-6-8-23(9-7-22)21-30-17-4-12-26-15-14-25-10-3-11-27-16-18-30/h1-2,5-9,13,25-28H,3-4,10-12,14-21H2 CWJJHESJXJQCJA-UHFFFAOYSA-N 50270276 CHEMBL477121::N-[1,4,8,11-Tetraazacyclotetradecanyl-1,4-phenylenebis(methylene)]-2-(amino-methyl)pyridine::Pyridin-2-ylmethyl-[4-(1,4,8,11tetraaza-cyclotetradec-1-ylmethyl)-benzyl]-amine C-X-C chemokine receptor type 4 12 ChEMBL 10.1021/jm1012374 10.7270/Q28C9XDV 21381769 Marsault, E; Peterson, ML Universite£ de Sherbrooke http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270276 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270276&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 483559 104115635 CHEMBL477121 ZINC19361903 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50984971 C[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O InChI=1S/C80H135N33O18S2/c1-43(101-63(118)50(16-7-33-96-76(86)87)102-62(117)48(83)13-6-32-95-75(84)85)61(116)111-58-41-132-133-42-59(70(125)108-55(74(129)130)20-11-36-99-79(92)93)112-67(122)53(19-10-37-100-80(94)131)104-65(120)52(18-9-35-98-78(90)91)106-69(124)57(40-45-24-28-47(115)29-25-45)110-72(127)60-21-12-38-113(60)73(128)54(15-3-5-31-82)107-66(121)49(14-2-4-30-81)103-64(119)51(17-8-34-97-77(88)89)105-68(123)56(109-71(58)126)39-44-22-26-46(114)27-23-44/h22-29,43,48-60,114-115H,2-21,30-42,81-83H2,1H3,(H,101,118)(H,102,117)(H,103,119)(H,104,120)(H,105,123)(H,106,124)(H,107,121)(H,108,125)(H,109,126)(H,110,127)(H,111,116)(H,112,122)(H,129,130)(H4,84,85,95)(H4,86,87,96)(H4,88,89,97)(H4,90,91,98)(H4,92,93,99)(H3,94,100,131)/t43-,48-,49-,50-,51-,52-,53-,54+,55-,56-,57-,58-,59-,60-/m0/s1 BPYCOUYFMFKDKZ-NOYMPMMPSA-N 50403798 CHEMBL2370126 C-X-C chemokine receptor type 4 2500 ChEMBL 10.1016/s0960-894x(00)00535-7 10.7270/Q2988866 11128640 Tamamura, H; Omagari, A; Oishi, S; Kanamoto, T; Yamamoto, N; Peiper, SC; Nakashima, H; Otaka, A; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50403798 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50403798&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 73350053 163352822 CHEMBL2370126 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50984972 C[C@@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N InChI=1S/C88H139N33O18S2/c1-48-69(124)117-64(43-49-25-30-54(122)31-26-49)77(132)114-61(21-11-39-106-86(98)99)74(129)113-62(22-12-41-108-88(102)139)76(131)120-67(80(135)116-63(82(137)138)23-13-40-107-87(100)101)46-140-141-47-68(121-79(134)66(45-51-24-29-52-14-2-3-15-53(52)42-51)118-75(130)59(19-9-37-104-84(94)95)110-70(125)56(91)16-8-36-103-83(92)93)81(136)119-65(44-50-27-32-55(123)33-28-50)78(133)115-60(20-10-38-105-85(96)97)73(128)112-58(18-5-7-35-90)72(127)111-57(71(126)109-48)17-4-6-34-89/h2-3,14-15,24-33,42,48,56-68,122-123H,4-13,16-23,34-41,43-47,89-91H2,1H3,(H,109,126)(H,110,125)(H,111,127)(H,112,128)(H,113,129)(H,114,132)(H,115,133)(H,116,135)(H,117,124)(H,118,130)(H,119,136)(H,120,131)(H,121,134)(H,137,138)(H4,92,93,103)(H4,94,95,104)(H4,96,97,105)(H4,98,99,106)(H4,100,101,107)(H3,102,108,139)/t48-,56-,57+,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-/m0/s1 QOCFAPGZEOIUJX-SIARNCJPSA-N 50403799 CHEMBL2370105 C-X-C chemokine receptor type 4 17 ChEMBL 10.1016/s0960-894x(00)00535-7 10.7270/Q2988866 11128640 Tamamura, H; Omagari, A; Oishi, S; Kanamoto, T; Yamamoto, N; Peiper, SC; Nakashima, H; Otaka, A; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50403799 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50403799&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 73350048 163352823 CHEMBL2370105 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50984973 NCCCC[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCNC(N)=O)NC1=O)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N InChI=1S/C90H140N34O19S2/c91-34-4-3-16-57-73(130)117-62(21-10-41-111-90(104)143)82(139)124-42-12-23-69(124)81(138)121-65(45-50-27-32-55(126)33-28-50)77(134)116-60(19-8-38-108-87(99)100)72(129)114-61(20-9-40-110-89(103)142)75(132)122-67(79(136)118-63(83(140)141)22-11-39-109-88(101)102)47-144-145-48-68(80(137)120-64(44-49-25-30-54(125)31-26-49)76(133)115-59(71(128)113-57)18-7-37-107-86(97)98)123-78(135)66(46-51-24-29-52-13-1-2-14-53(52)43-51)119-74(131)58(17-6-36-106-85(95)96)112-70(127)56(92)15-5-35-105-84(93)94/h1-2,13-14,24-33,43,56-69,125-126H,3-12,15-23,34-42,44-48,91-92H2,(H,112,127)(H,113,128)(H,114,129)(H,115,133)(H,116,134)(H,117,130)(H,118,136)(H,119,131)(H,120,137)(H,121,138)(H,122,132)(H,123,135)(H,140,141)(H4,93,94,105)(H4,95,96,106)(H4,97,98,107)(H4,99,100,108)(H4,101,102,109)(H3,103,110,142)(H3,104,111,143)/t56-,57-,58-,59-,60-,61-,62+,63-,64-,65-,66-,67-,68-,69-/m0/s1 FKWPUQAEQMZWQN-UXNLHULBSA-N 50403800 CHEMBL2370135::TC-14004 C-X-C chemokine receptor type 4 4 ChEMBL 10.1016/s0960-894x(00)00535-7 10.7270/Q2988866 11128640 Tamamura, H; Omagari, A; Oishi, S; Kanamoto, T; Yamamoto, N; Peiper, SC; Nakashima, H; Otaka, A; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50403800 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50403800&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 73348466 163352824 CHEMBL2370135 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50984974 Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=O InChI=1S/C10H13N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t6-,7+,8+/m0/s1 HBOMLICNUCNMMY-XLPZGREQSA-N 50002692 (AZT) 1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione::(AZT)1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione::1-((2R,4R,5S)-4-azido-5-(hydroxymethyl)tetrahydrofuran-2-yl)-5-methylpyrimidine-2,4(1H,3H)-dione::1-((2R,4S,5S)-4-(diazoamino)-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-5-methylpyrimidine-2,4(1H,3H)-dione::1-((2R,4S,5S)-4-Azido-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione::1-((2R,4S,5S)-4-azido-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-5-methylpyrimidine-2,4(1H,3H)-dione::1-((2R,4S,5S)-4-azido-5-(hydroxymethyl)tetrahydrofuran-2-yl)-5-methylpyrimidine-2,4(1H,3H)-dione::1-((2R,5S)-4-Azido-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione::1-((2S,4R,5R)-4-Azido-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione::1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione::1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione (AZT)::1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione (AzddThd, AZT)::1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione (N3ddThd)::1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione [AZT]::1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione(3'-azido-2',3'-dideoxythymidine)::1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione(AZT)::1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione(Zidovudine, AZT)::1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione(azidothymidine, AZT)::3'-Azido-3'-deoxy-thymidine::3'-Deoxy-3-azidothymidine::3'-azido-2',3'-dideoxythymidine::3'-azido-thymidine::3'azido-2'3'-dideoxythymidine::3-((2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl)triaz-1-en-2-ium-1-ide::4-(4-Azido-5-hydroxy-tetrahydro-furan-2-yl)-5-methyl-3H-pyrazine-2,6-dione::AZT::BW-A-509U::BWA509U::CHEMBL129::Retrovir::US10071110, Compound AZT::US11420959, Example AZT::ZIDOVUDINE::azidothymidine::zidovudin::zudovidine C-X-C chemokine receptor type 4 48 ChEMBL 10.1016/s0960-894x(00)00535-7 10.7270/Q2988866 11128640 Tamamura, H; Omagari, A; Oishi, S; Kanamoto, T; Yamamoto, N; Peiper, SC; Nakashima, H; Otaka, A; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50002692 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50002692&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search AZZ 3B9L,3B9M,3BCR,4LHM,2JJ8 35370 103916892 10110 CHEMBL129 DB00495 4825 C07210 ZINC03779042 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50984975 C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC1=O)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N InChI=1S/C84H137N33O17S2/c1-46-65(119)106-54(20-9-35-100-80(90)91)67(121)109-57(23-12-39-104-84(98)134)71(125)115-62(74(128)112-59(78(132)133)24-13-38-103-83(96)97)44-135-136-45-63(116-73(127)61(43-48-26-29-49-15-2-3-16-50(49)41-48)113-70(124)55(21-10-36-101-81(92)93)107-66(120)52(87)17-8-34-99-79(88)89)75(129)114-60(42-47-27-30-51(118)31-28-47)72(126)110-56(22-11-37-102-82(94)95)68(122)108-53(18-4-6-32-85)69(123)111-58(19-5-7-33-86)77(131)117-40-14-25-64(117)76(130)105-46/h2-3,15-16,26-31,41,46,52-64,118H,4-14,17-25,32-40,42-45,85-87H2,1H3,(H,105,130)(H,106,119)(H,107,120)(H,108,122)(H,109,121)(H,110,126)(H,111,123)(H,112,128)(H,113,124)(H,114,129)(H,115,125)(H,116,127)(H,132,133)(H4,88,89,99)(H4,90,91,100)(H4,92,93,101)(H4,94,95,102)(H4,96,97,103)(H3,98,104,134)/t46-,52-,53-,54-,55-,56-,57-,58+,59-,60-,61-,62-,63-,64-/m0/s1 HEAAQGOBUPQTOF-RVNNYHQLSA-N 50403801 CHEMBL2370139 C-X-C chemokine receptor type 4 17 ChEMBL 10.1016/s0960-894x(00)00535-7 10.7270/Q2988866 11128640 Tamamura, H; Omagari, A; Oishi, S; Kanamoto, T; Yamamoto, N; Peiper, SC; Nakashima, H; Otaka, A; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50403801 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50403801&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 73350055 163352825 CHEMBL2370139 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50984976 C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=O)NC1=O)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N InChI=1S/C87H134N30O18S2/c1-48-69(120)106-58(21-11-40-104-87(99)135)74(125)115-66(78(129)111-62(82(133)134)22-12-39-103-86(97)98)46-136-137-47-67(116-77(128)65(45-51-24-29-52-14-2-3-15-53(52)42-51)112-73(124)59(19-9-37-101-84(93)94)107-70(121)56(90)16-8-36-100-83(91)92)79(130)113-64(44-50-27-32-55(119)33-28-50)76(127)109-60(20-10-38-102-85(95)96)71(122)108-57(17-4-6-34-88)72(123)110-61(18-5-7-35-89)81(132)117-41-13-23-68(117)80(131)114-63(75(126)105-48)43-49-25-30-54(118)31-26-49/h2-3,14-15,24-33,42,48,56-68,118-119H,4-13,16-23,34-41,43-47,88-90H2,1H3,(H,105,126)(H,106,120)(H,107,121)(H,108,122)(H,109,127)(H,110,123)(H,111,129)(H,112,124)(H,113,130)(H,114,131)(H,115,125)(H,116,128)(H,133,134)(H4,91,92,100)(H4,93,94,101)(H4,95,96,102)(H4,97,98,103)(H3,99,104,135)/t48-,56-,57-,58-,59-,60+,61+,62-,63-,64-,65-,66-,67-,68-/m0/s1 CTPUZEDSCFCBOP-ASOFVBCUSA-N 50403802 CHEMBL2370134::TC-14007 C-X-C chemokine receptor type 4 18 ChEMBL 10.1016/s0960-894x(00)00535-7 10.7270/Q2988866 11128640 Tamamura, H; Omagari, A; Oishi, S; Kanamoto, T; Yamamoto, N; Peiper, SC; Nakashima, H; Otaka, A; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50403802 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50403802&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 73356100 163352826 CHEMBL2370134 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50984977 NCCCC[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC1=O)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](N)CCCN=C(N)N InChI=1S/C90H140N32O19S2/c91-35-5-3-17-58-74(128)115-63(18-4-6-36-92)83(137)122-43-13-24-70(122)82(136)119-66(46-51-28-33-56(124)34-29-51)78(132)114-61(20-9-39-106-87(98)99)73(127)112-62(22-11-42-109-90(103)141)76(130)120-68(80(134)116-64(84(138)139)23-12-40-107-88(100)101)48-142-143-49-69(81(135)118-65(45-50-26-31-55(123)32-27-50)77(131)113-60(72(126)111-58)19-8-38-105-86(96)97)121-79(133)67(47-52-25-30-53-14-1-2-15-54(53)44-52)117-75(129)59(21-10-41-108-89(102)140)110-71(125)57(93)16-7-37-104-85(94)95/h1-2,14-15,25-34,44,57-70,123-124H,3-13,16-24,35-43,45-49,91-93H2,(H,110,125)(H,111,126)(H,112,127)(H,113,131)(H,114,132)(H,115,128)(H,116,134)(H,117,129)(H,118,135)(H,119,136)(H,120,130)(H,121,133)(H,138,139)(H4,94,95,104)(H4,96,97,105)(H4,98,99,106)(H4,100,101,107)(H3,102,108,140)(H3,103,109,141)/t57-,58-,59-,60-,61-,62-,63+,64-,65-,66-,67-,68-,69-,70-/m0/s1 HPMMARFSOFJIKP-ADZSTZGASA-N 50403803 CHEMBL2370109 C-X-C chemokine receptor type 4 450 ChEMBL 10.1016/s0960-894x(00)00535-7 10.7270/Q2988866 11128640 Tamamura, H; Omagari, A; Oishi, S; Kanamoto, T; Yamamoto, N; Peiper, SC; Nakashima, H; Otaka, A; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50403803 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50403803&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 73354528 163352827 CHEMBL2370109 C03022 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50984978 C[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N1)C(O)=O InChI=1S/C87H134N30O18S2/c1-48(82(133)134)105-78(129)66-46-136-137-47-67(116-77(128)65(45-51-24-29-52-14-2-3-15-53(52)42-51)112-73(124)58(19-9-37-101-84(93)94)106-69(120)56(90)16-8-36-100-83(91)92)79(130)113-63(43-49-25-30-54(118)31-26-49)75(126)109-59(20-10-38-102-85(95)96)70(121)107-57(17-4-6-34-88)72(123)111-62(18-5-7-35-89)81(132)117-41-13-23-68(117)80(131)114-64(44-50-27-32-55(119)33-28-50)76(127)110-60(21-11-39-103-86(97)98)71(122)108-61(74(125)115-66)22-12-40-104-87(99)135/h2-3,14-15,24-33,42,48,56-68,118-119H,4-13,16-23,34-41,43-47,88-90H2,1H3,(H,105,129)(H,106,120)(H,107,121)(H,108,122)(H,109,126)(H,110,127)(H,111,123)(H,112,124)(H,113,130)(H,114,131)(H,115,125)(H,116,128)(H,133,134)(H4,91,92,100)(H4,93,94,101)(H4,95,96,102)(H4,97,98,103)(H3,99,104,135)/t48-,56-,57-,58-,59-,60-,61-,62+,63-,64-,65-,66-,67-,68-/m0/s1 VETMHDQWQXEODZ-BTQVPIHLSA-N 50403804 CHEMBL3038228 C-X-C chemokine receptor type 4 400 ChEMBL 10.1016/s0960-894x(00)00535-7 10.7270/Q2988866 11128640 Tamamura, H; Omagari, A; Oishi, S; Kanamoto, T; Yamamoto, N; Peiper, SC; Nakashima, H; Otaka, A; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50403804 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50403804&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 73351279 163352828 CHEMBL3038228 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50984979 C[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C1=O)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N InChI=1S/C87H134N32O18S2/c1-47-80(134)119-40-12-22-67(119)79(133)116-63(43-49-26-31-54(121)32-27-49)75(129)112-59(19-9-37-104-85(96)97)71(125)110-60(20-10-39-106-87(100)137)73(127)117-65(77(131)113-61(81(135)136)21-11-38-105-86(98)99)45-138-139-46-66(78(132)115-62(42-48-24-29-53(120)30-25-48)74(128)111-58(18-8-36-103-84(94)95)70(124)109-56(69(123)107-47)16-4-5-33-88)118-76(130)64(44-50-23-28-51-13-2-3-14-52(51)41-50)114-72(126)57(17-7-35-102-83(92)93)108-68(122)55(89)15-6-34-101-82(90)91/h2-3,13-14,23-32,41,47,55-67,120-121H,4-12,15-22,33-40,42-46,88-89H2,1H3,(H,107,123)(H,108,122)(H,109,124)(H,110,125)(H,111,128)(H,112,129)(H,113,131)(H,114,126)(H,115,132)(H,116,133)(H,117,127)(H,118,130)(H,135,136)(H4,90,91,101)(H4,92,93,102)(H4,94,95,103)(H4,96,97,104)(H4,98,99,105)(H3,100,106,137)/t47-,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,65+,66+,67+/m1/s1 DOSPTESPIMWWPQ-FYFJYASNSA-N 50403805 CHEMBL2370140 C-X-C chemokine receptor type 4 16 ChEMBL 10.1016/s0960-894x(00)00535-7 10.7270/Q2988866 11128640 Tamamura, H; Omagari, A; Oishi, S; Kanamoto, T; Yamamoto, N; Peiper, SC; Nakashima, H; Otaka, A; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50403805 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50403805&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 73354530 163352829 CHEMBL2370140 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50984980 NCCCC[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC1=O)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N InChI=1S/C90H140N32O19S2/c91-35-5-3-17-58-74(128)115-63(18-4-6-36-92)83(137)122-43-13-24-70(122)82(136)119-66(46-51-28-33-56(124)34-29-51)78(132)114-61(21-10-41-108-89(102)140)73(127)112-62(22-11-42-109-90(103)141)76(130)120-68(80(134)116-64(84(138)139)23-12-40-107-88(100)101)48-142-143-49-69(81(135)118-65(45-50-26-31-55(123)32-27-50)77(131)113-60(72(126)111-58)20-9-39-106-87(98)99)121-79(133)67(47-52-25-30-53-14-1-2-15-54(53)44-52)117-75(129)59(19-8-38-105-86(96)97)110-71(125)57(93)16-7-37-104-85(94)95/h1-2,14-15,25-34,44,57-70,123-124H,3-13,16-24,35-43,45-49,91-93H2,(H,110,125)(H,111,126)(H,112,127)(H,113,131)(H,114,132)(H,115,128)(H,116,134)(H,117,129)(H,118,135)(H,119,136)(H,120,130)(H,121,133)(H,138,139)(H4,94,95,104)(H4,96,97,105)(H4,98,99,106)(H4,100,101,107)(H3,102,108,140)(H3,103,109,141)/t57-,58-,59-,60-,61-,62-,63+,64-,65-,66-,67-,68-,69-,70-/m0/s1 BVHSOARFKLTTOC-ADZSTZGASA-N 50403806 CHEMBL2370132::TC-14003 C-X-C chemokine receptor type 4 15 ChEMBL 10.1016/s0960-894x(00)00535-7 10.7270/Q2988866 11128640 Tamamura, H; Omagari, A; Oishi, S; Kanamoto, T; Yamamoto, N; Peiper, SC; Nakashima, H; Otaka, A; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50403806 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50403806&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 73346967 163352830 CHEMBL2370132 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50984981 NCCCC[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC1=O)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCNC(N)=O InChI=1S/C90H140N32O19S2/c91-35-5-3-17-58-74(128)115-63(18-4-6-36-92)83(137)122-43-13-24-70(122)82(136)119-66(46-51-28-33-56(124)34-29-51)78(132)114-61(21-10-39-106-87(98)99)73(127)112-62(22-11-42-109-90(103)141)76(130)120-68(80(134)116-64(84(138)139)23-12-40-107-88(100)101)48-142-143-49-69(81(135)118-65(45-50-26-31-55(123)32-27-50)77(131)113-60(72(126)111-58)20-9-38-105-86(96)97)121-79(133)67(47-52-25-30-53-14-1-2-15-54(53)44-52)117-75(129)59(19-8-37-104-85(94)95)110-71(125)57(93)16-7-41-108-89(102)140/h1-2,14-15,25-34,44,57-70,123-124H,3-13,16-24,35-43,45-49,91-93H2,(H,110,125)(H,111,126)(H,112,127)(H,113,131)(H,114,132)(H,115,128)(H,116,134)(H,117,129)(H,118,135)(H,119,136)(H,120,130)(H,121,133)(H,138,139)(H4,94,95,104)(H4,96,97,105)(H4,98,99,106)(H4,100,101,107)(H3,102,108,140)(H3,103,109,141)/t57-,58-,59-,60-,61-,62-,63+,64-,65-,66-,67-,68-,69-,70-/m0/s1 QYHYEWIRUIEQCZ-ADZSTZGASA-N 50403807 CHEMBL2370130 C-X-C chemokine receptor type 4 15 ChEMBL 10.1016/s0960-894x(00)00535-7 10.7270/Q2988866 11128640 Tamamura, H; Omagari, A; Oishi, S; Kanamoto, T; Yamamoto, N; Peiper, SC; Nakashima, H; Otaka, A; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50403807 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50403807&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 73346966 163352831 CHEMBL2370130 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50984982 NCCCC[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC1=O)C(=O)N[C@@H](CCCNC(N)=O)C(O)=O)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N InChI=1S/C90H140N32O19S2/c91-35-5-3-17-58-74(128)115-63(18-4-6-36-92)83(137)122-43-13-24-70(122)82(136)119-66(46-51-28-33-56(124)34-29-51)78(132)114-61(21-10-40-107-88(100)101)73(127)112-62(22-11-41-108-89(102)140)76(130)120-68(80(134)116-64(84(138)139)23-12-42-109-90(103)141)48-142-143-49-69(81(135)118-65(45-50-26-31-55(123)32-27-50)77(131)113-60(72(126)111-58)20-9-39-106-87(98)99)121-79(133)67(47-52-25-30-53-14-1-2-15-54(53)44-52)117-75(129)59(19-8-38-105-86(96)97)110-71(125)57(93)16-7-37-104-85(94)95/h1-2,14-15,25-34,44,57-70,123-124H,3-13,16-24,35-43,45-49,91-93H2,(H,110,125)(H,111,126)(H,112,127)(H,113,131)(H,114,132)(H,115,128)(H,116,134)(H,117,129)(H,118,135)(H,119,136)(H,120,130)(H,121,133)(H,138,139)(H4,94,95,104)(H4,96,97,105)(H4,98,99,106)(H4,100,101,107)(H3,102,108,140)(H3,103,109,141)/t57-,58-,59-,60-,61-,62-,63+,64-,65-,66-,67-,68-,69-,70-/m0/s1 GXWKTGVJWGELOQ-ADZSTZGASA-N 50403808 CHEMBL2370124::TC-14006 C-X-C chemokine receptor type 4 880 ChEMBL 10.1016/s0960-894x(00)00535-7 10.7270/Q2988866 11128640 Tamamura, H; Omagari, A; Oishi, S; Kanamoto, T; Yamamoto, N; Peiper, SC; Nakashima, H; Otaka, A; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50403808 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50403808&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 73345442 163352832 CHEMBL2370124 C02851 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50984983 NCCCC[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC1=O)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N InChI=1S/C88H140N34O18S2/c89-33-5-3-17-56-72(128)115-61(18-4-6-34-90)81(137)122-41-13-24-68(122)80(136)119-64(43-49-27-31-52(124)32-28-49)76(132)114-59(21-10-38-106-86(98)99)71(127)112-60(22-11-40-108-88(102)140)74(130)120-66(78(134)116-62(82(138)139)23-12-39-107-87(100)101)46-141-142-47-67(79(135)117-63(42-48-25-29-51(123)30-26-48)75(131)113-58(70(126)111-56)20-9-37-105-85(96)97)121-77(133)65(44-50-45-109-55-16-2-1-14-53(50)55)118-73(129)57(19-8-36-104-84(94)95)110-69(125)54(91)15-7-35-103-83(92)93/h1-2,14,16,25-32,45,54,56-68,109,123-124H,3-13,15,17-24,33-44,46-47,89-91H2,(H,110,125)(H,111,126)(H,112,127)(H,113,131)(H,114,132)(H,115,128)(H,116,134)(H,117,135)(H,118,129)(H,119,136)(H,120,130)(H,121,133)(H,138,139)(H4,92,93,103)(H4,94,95,104)(H4,96,97,105)(H4,98,99,106)(H4,100,101,107)(H3,102,108,140)/t54-,56-,57-,58-,59-,60-,61+,62-,63-,64-,65-,66-,67-,68-/m0/s1 LPZIDXCPNZCJLE-LLDYNZPSSA-N 50403809 CHEMBL2370104 C-X-C chemokine receptor type 4 8.3 ChEMBL 10.1016/s0960-894x(00)00535-7 10.7270/Q2988866 11128640 Tamamura, H; Omagari, A; Oishi, S; Kanamoto, T; Yamamoto, N; Peiper, SC; Nakashima, H; Otaka, A; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50403809 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50403809&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 73351552 163352833 CHEMBL2370104 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50984984 C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCCN)NC1=O)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N InChI=1S/C87H134N30O18S2/c1-48-69(120)106-57(17-4-6-34-88)72(123)110-61(18-5-7-35-89)81(132)117-41-13-23-68(117)80(131)114-64(44-50-27-32-55(119)33-28-50)76(127)109-59(20-10-38-102-85(95)96)71(122)108-60(21-11-40-104-87(99)135)74(125)115-66(78(129)111-62(82(133)134)22-12-39-103-86(97)98)46-136-137-47-67(79(130)113-63(75(126)105-48)43-49-25-30-54(118)31-26-49)116-77(128)65(45-51-24-29-52-14-2-3-15-53(52)42-51)112-73(124)58(19-9-37-101-84(93)94)107-70(121)56(90)16-8-36-100-83(91)92/h2-3,14-15,24-33,42,48,56-68,118-119H,4-13,16-23,34-41,43-47,88-90H2,1H3,(H,105,126)(H,106,120)(H,107,121)(H,108,122)(H,109,127)(H,110,123)(H,111,129)(H,112,124)(H,113,130)(H,114,131)(H,115,125)(H,116,128)(H,133,134)(H4,91,92,100)(H4,93,94,101)(H4,95,96,102)(H4,97,98,103)(H3,99,104,135)/t48-,56-,57-,58-,59-,60-,61+,62-,63-,64-,65-,66-,67-,68-/m0/s1 WDSGHOCKMXUODK-XNLWXRGQSA-N 50403810 CHEMBL2370137::TC-14002 C-X-C chemokine receptor type 4 9.3 ChEMBL 10.1016/s0960-894x(00)00535-7 10.7270/Q2988866 11128640 Tamamura, H; Omagari, A; Oishi, S; Kanamoto, T; Yamamoto, N; Peiper, SC; Nakashima, H; Otaka, A; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50403810 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50403810&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 73350054 163352834 CHEMBL2370137 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50984985 C[C@H](NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O InChI=1S/C87H134N30O18S2/c1-48(105-70(121)56(90)16-8-36-100-83(91)92)69(120)112-65(45-51-24-29-52-14-2-3-15-53(52)42-51)77(128)116-67-47-137-136-46-66(78(129)111-62(82(133)134)22-12-39-103-86(97)98)115-74(125)60(21-11-40-104-87(99)135)107-72(123)59(20-10-38-102-85(95)96)109-76(127)64(44-50-27-32-55(119)33-28-50)114-80(131)68-23-13-41-117(68)81(132)61(18-5-7-35-89)110-73(124)57(17-4-6-34-88)106-71(122)58(19-9-37-101-84(93)94)108-75(126)63(113-79(67)130)43-49-25-30-54(118)31-26-49/h2-3,14-15,24-33,42,48,56-68,118-119H,4-13,16-23,34-41,43-47,88-90H2,1H3,(H,105,121)(H,106,122)(H,107,123)(H,108,126)(H,109,127)(H,110,124)(H,111,129)(H,112,120)(H,113,130)(H,114,131)(H,115,125)(H,116,128)(H,133,134)(H4,91,92,100)(H4,93,94,101)(H4,95,96,102)(H4,97,98,103)(H3,99,104,135)/t48-,56-,57-,58-,59-,60-,61+,62-,63-,64-,65-,66-,67-,68-/m0/s1 WHGZVJTYIJVGRQ-XNLWXRGQSA-N 50403811 CHEMBL2370125::TC-14001 C-X-C chemokine receptor type 4 1300 ChEMBL 10.1016/s0960-894x(00)00535-7 10.7270/Q2988866 11128640 Tamamura, H; Omagari, A; Oishi, S; Kanamoto, T; Yamamoto, N; Peiper, SC; Nakashima, H; Otaka, A; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50403811 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50403811&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 73350052 163352835 CHEMBL2370125 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50984986 NCCCC[C@@H]1NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC1=O)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N InChI=1S/C90H140N32O19S2/c91-35-5-3-17-58-74(128)115-63(18-4-6-36-92)83(137)122-43-13-24-70(122)82(136)119-66(46-51-28-33-56(124)34-29-51)78(132)114-60(20-9-39-106-87(98)99)73(127)112-62(22-11-42-109-90(103)141)76(130)120-68(80(134)116-64(84(138)139)23-12-40-107-88(100)101)48-142-143-49-69(81(135)118-65(45-50-26-31-55(123)32-27-50)77(131)113-61(72(126)111-58)21-10-41-108-89(102)140)121-79(133)67(47-52-25-30-53-14-1-2-15-54(53)44-52)117-75(129)59(19-8-38-105-86(96)97)110-71(125)57(93)16-7-37-104-85(94)95/h1-2,14-15,25-34,44,57-70,123-124H,3-13,16-24,35-43,45-49,91-93H2,(H,110,125)(H,111,126)(H,112,127)(H,113,131)(H,114,132)(H,115,128)(H,116,134)(H,117,129)(H,118,135)(H,119,136)(H,120,130)(H,121,133)(H,138,139)(H4,94,95,104)(H4,96,97,105)(H4,98,99,106)(H4,100,101,107)(H3,102,108,140)(H3,103,109,141)/t57-,58-,59-,60-,61-,62-,63+,64-,65-,66-,67-,68-,69-,70-/m0/s1 FZDJFSFPMBLXMO-ADZSTZGASA-N 50403812 CHEMBL2370108 C-X-C chemokine receptor type 4 2.8 ChEMBL 10.1016/s0960-894x(00)00535-7 10.7270/Q2988866 11128640 Tamamura, H; Omagari, A; Oishi, S; Kanamoto, T; Yamamoto, N; Peiper, SC; Nakashima, H; Otaka, A; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50403812 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50403812&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 73345441 163352836 CHEMBL2370108 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50984987 C[C@@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC1=O)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N InChI=1S/C84H137N33O17S2/c1-46-65(119)106-54(20-9-35-100-80(90)91)67(121)108-53(18-4-6-32-85)69(123)111-58(19-5-7-33-86)77(131)117-40-14-25-64(117)76(130)114-60(42-47-27-30-51(118)31-28-47)72(126)110-56(22-11-37-102-82(94)95)68(122)109-57(23-12-39-104-84(98)134)71(125)115-63(75(129)112-59(78(132)133)24-13-38-103-83(96)97)45-136-135-44-62(74(128)105-46)116-73(127)61(43-48-26-29-49-15-2-3-16-50(49)41-48)113-70(124)55(21-10-36-101-81(92)93)107-66(120)52(87)17-8-34-99-79(88)89/h2-3,15-16,26-31,41,46,52-64,118H,4-14,17-25,32-40,42-45,85-87H2,1H3,(H,105,128)(H,106,119)(H,107,120)(H,108,121)(H,109,122)(H,110,126)(H,111,123)(H,112,129)(H,113,124)(H,114,130)(H,115,125)(H,116,127)(H,132,133)(H4,88,89,99)(H4,90,91,100)(H4,92,93,101)(H4,94,95,102)(H4,96,97,103)(H3,98,104,134)/t46-,52-,53-,54-,55-,56-,57-,58+,59-,60-,61-,62-,63-,64-/m0/s1 KWPLKQNFMGCZJC-RVNNYHQLSA-N 50403813 CHEMBL2370127::TC-14005 C-X-C chemokine receptor type 4 360 ChEMBL 10.1016/s0960-894x(00)00535-7 10.7270/Q2988866 11128640 Tamamura, H; Omagari, A; Oishi, S; Kanamoto, T; Yamamoto, N; Peiper, SC; Nakashima, H; Otaka, A; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50403813 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50403813&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 73356099 163352837 CHEMBL2370127 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50984988 CC(N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O InChI=1S/C87H134N30O18S2/c1-48(90)69(120)105-57(18-8-36-100-83(91)92)73(124)112-65(45-51-24-29-52-14-2-3-15-53(52)42-51)77(128)116-67-47-137-136-46-66(78(129)111-62(82(133)134)22-12-39-103-86(97)98)115-74(125)60(21-11-40-104-87(99)135)107-71(122)59(20-10-38-102-85(95)96)109-76(127)64(44-50-27-32-55(119)33-28-50)114-80(131)68-23-13-41-117(68)81(132)61(17-5-7-35-89)110-72(123)56(16-4-6-34-88)106-70(121)58(19-9-37-101-84(93)94)108-75(126)63(113-79(67)130)43-49-25-30-54(118)31-26-49/h2-3,14-15,24-33,42,48,56-68,118-119H,4-13,16-23,34-41,43-47,88-90H2,1H3,(H,105,120)(H,106,121)(H,107,122)(H,108,126)(H,109,127)(H,110,123)(H,111,129)(H,112,124)(H,113,130)(H,114,131)(H,115,125)(H,116,128)(H,133,134)(H4,91,92,100)(H4,93,94,101)(H4,95,96,102)(H4,97,98,103)(H3,99,104,135)/t48?,56-,57-,58-,59-,60-,61+,62-,63-,64-,65-,66-,67-,68-/m0/s1 SMWFVYGXNYUMEG-VWPQHCFXSA-N 50403814 CHEMBL3038227 C-X-C chemokine receptor type 4 56 ChEMBL 10.1016/s0960-894x(00)00535-7 10.7270/Q2988866 11128640 Tamamura, H; Omagari, A; Oishi, S; Kanamoto, T; Yamamoto, N; Peiper, SC; Nakashima, H; Otaka, A; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50403814 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50403814&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 73348196 163352838 CHEMBL3038227 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50984989 C[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N InChI=1S/C87H135N31O17S2/c1-48-69(121)116-66(78(130)112-62(82(134)135)22-12-40-105-87(99)100)46-136-137-47-67(117-77(129)65(45-51-24-29-52-14-2-3-15-53(52)42-51)113-74(126)59(20-10-38-103-85(95)96)107-70(122)56(90)16-8-36-101-83(91)92)79(131)114-63(43-49-25-30-54(119)31-26-49)75(127)110-60(21-11-39-104-86(97)98)72(124)108-57(17-4-6-34-88)73(125)111-61(18-5-7-35-89)81(133)118-41-13-23-68(118)80(132)115-64(44-50-27-32-55(120)33-28-50)76(128)109-58(71(123)106-48)19-9-37-102-84(93)94/h2-3,14-15,24-33,42,48,56-68,119-120H,4-13,16-23,34-41,43-47,88-90H2,1H3,(H,106,123)(H,107,122)(H,108,124)(H,109,128)(H,110,127)(H,111,125)(H,112,130)(H,113,126)(H,114,131)(H,115,132)(H,116,121)(H,117,129)(H,134,135)(H4,91,92,101)(H4,93,94,102)(H4,95,96,103)(H4,97,98,104)(H4,99,100,105)/t48-,56-,57-,58-,59-,60-,61+,62-,63-,64-,65-,66-,67-,68-/m0/s1 SWSLOXZJSDFMFQ-XNLWXRGQSA-N 50403815 CHEMBL2370133 C-X-C chemokine receptor type 4 16 ChEMBL 10.1016/s0960-894x(00)00535-7 10.7270/Q2988866 11128640 Tamamura, H; Omagari, A; Oishi, S; Kanamoto, T; Yamamoto, N; Peiper, SC; Nakashima, H; Otaka, A; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50403815 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50403815&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 73346968 163352839 CHEMBL2370133 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50984990 NCCCC[C@H]1NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C1=O)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N InChI=1S/C90H140N34O19S2/c91-34-4-3-16-62-82(139)124-42-12-23-69(124)81(138)121-65(45-50-27-32-55(126)33-28-50)77(134)116-59(19-8-38-108-87(99)100)72(129)114-61(21-10-41-111-90(104)143)75(132)122-67(79(136)118-63(83(140)141)22-11-39-109-88(101)102)47-144-145-48-68(80(137)120-64(44-49-25-30-54(125)31-26-49)76(133)115-58(18-7-37-107-86(97)98)71(128)113-60(73(130)117-62)20-9-40-110-89(103)142)123-78(135)66(46-51-24-29-52-13-1-2-14-53(52)43-51)119-74(131)57(17-6-36-106-85(95)96)112-70(127)56(92)15-5-35-105-84(93)94/h1-2,13-14,24-33,43,56-69,125-126H,3-12,15-23,34-42,44-48,91-92H2,(H,112,127)(H,113,128)(H,114,129)(H,115,133)(H,116,134)(H,117,130)(H,118,136)(H,119,131)(H,120,137)(H,121,138)(H,122,132)(H,123,135)(H,140,141)(H4,93,94,105)(H4,95,96,106)(H4,97,98,107)(H4,99,100,108)(H4,101,102,109)(H3,103,110,142)(H3,104,111,143)/t56-,57-,58-,59-,60-,61-,62+,63-,64-,65-,66-,67-,68-,69-/m0/s1 OOUOADYHOIEJNJ-UXNLHULBSA-N 50403816 CHEMBL2370136 C-X-C chemokine receptor type 4 16 ChEMBL 10.1016/s0960-894x(00)00535-7 10.7270/Q2988866 11128640 Tamamura, H; Omagari, A; Oishi, S; Kanamoto, T; Yamamoto, N; Peiper, SC; Nakashima, H; Otaka, A; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50403816 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50403816&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 73346969 163352840 CHEMBL2370136 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50984991 NCCCC[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC1=O)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N InChI=1S/C90H141N33O18S2/c91-35-5-3-17-58-74(129)116-63(18-4-6-36-92)83(138)123-43-13-24-70(123)82(137)120-66(46-51-28-33-56(125)34-29-51)78(133)115-61(21-10-40-108-88(100)101)73(128)113-62(22-11-42-110-90(104)141)76(131)121-68(80(135)117-64(84(139)140)23-12-41-109-89(102)103)48-142-143-49-69(81(136)119-65(45-50-26-31-55(124)32-27-50)77(132)114-60(72(127)112-58)20-9-39-107-87(98)99)122-79(134)67(47-52-25-30-53-14-1-2-15-54(53)44-52)118-75(130)59(19-8-38-106-86(96)97)111-71(126)57(93)16-7-37-105-85(94)95/h1-2,14-15,25-34,44,57-70,124-125H,3-13,16-24,35-43,45-49,91-93H2,(H,111,126)(H,112,127)(H,113,128)(H,114,132)(H,115,133)(H,116,129)(H,117,135)(H,118,130)(H,119,136)(H,120,137)(H,121,131)(H,122,134)(H,139,140)(H4,94,95,105)(H4,96,97,106)(H4,98,99,107)(H4,100,101,108)(H4,102,103,109)(H3,104,110,141)/t57-,58-,59-,60-,61-,62-,63+,64-,65-,66-,67-,68-,69-,70-/m0/s1 IMOHHNXUCDZLKM-ADZSTZGASA-N 50403817 CHEMBL2370138 C-X-C chemokine receptor type 4 3.3 ChEMBL 10.1016/s0960-894x(00)00535-7 10.7270/Q2988866 11128640 Tamamura, H; Omagari, A; Oishi, S; Kanamoto, T; Yamamoto, N; Peiper, SC; Nakashima, H; Otaka, A; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50403817 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50403817&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 73345443 163352841 CHEMBL2370138 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50984992 C[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC1=O)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N InChI=1S/C87H134N32O18S2/c1-47-68(122)112-60(16-4-5-33-88)80(134)119-40-12-22-67(119)79(133)116-63(43-49-26-31-54(121)32-27-49)75(129)111-58(19-9-37-104-85(96)97)71(125)109-59(20-10-39-106-87(100)137)73(127)117-65(77(131)113-61(81(135)136)21-11-38-105-86(98)99)45-138-139-46-66(78(132)115-62(42-48-24-29-53(120)30-25-48)74(128)110-56(70(124)107-47)17-7-35-102-83(92)93)118-76(130)64(44-50-23-28-51-13-2-3-14-52(51)41-50)114-72(126)57(18-8-36-103-84(94)95)108-69(123)55(89)15-6-34-101-82(90)91/h2-3,13-14,23-32,41,47,55-67,120-121H,4-12,15-22,33-40,42-46,88-89H2,1H3,(H,107,124)(H,108,123)(H,109,125)(H,110,128)(H,111,129)(H,112,122)(H,113,131)(H,114,126)(H,115,132)(H,116,133)(H,117,127)(H,118,130)(H,135,136)(H4,90,91,101)(H4,92,93,102)(H4,94,95,103)(H4,96,97,104)(H4,98,99,105)(H3,100,106,137)/t47-,55-,56-,57-,58-,59-,60+,61-,62-,63-,64-,65-,66-,67-/m0/s1 PKLIMHVIXOCPEV-UMHIMUCOSA-N 50403818 CHEMBL2370106 C-X-C chemokine receptor type 4 47 ChEMBL 10.1016/s0960-894x(00)00535-7 10.7270/Q2988866 11128640 Tamamura, H; Omagari, A; Oishi, S; Kanamoto, T; Yamamoto, N; Peiper, SC; Nakashima, H; Otaka, A; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50403818 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50403818&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 73354527 163352842 CHEMBL2370106 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50976591 COc1cc(\C=C\C(=O)c2ccc(Cl)cc2)ccc1O InChI=1S/C16H13ClO3/c1-20-16-10-11(3-9-15(16)19)2-8-14(18)12-4-6-13(17)7-5-12/h2-10,19H,1H3/b8-2+ KCTNGNPVURILGU-KRXBUXKQSA-N 50042947 1-(4-Chloro-phenyl)-3-(4-hydroxy-3-methoxy-phenyl)-propenone::1-(4-chlorophenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one::4'-chloro-3-methoxy-4-hydroxychalcone::CHEMBL126657::Chalcone 4 C-X-C chemokine receptor type 4 53 ChEMBL 10.1021/ml200017d 10.7270/Q27H1KR7 24900366 Gasparik, V; Daubeuf, F; Hachet-Haas, M; Rohmer, F; Gizzi, P; Haiech, J; Galzi, JL; Hibert, M; Bonnet, D; Frossard, N TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50042947 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50042947&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 5708903 103974444 CHEMBL126657 ZINC05915905 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51038775 C(N1CCCNCCNCCCNCC1)c1ccc(CN2CCCNCCNCCCNCC2)cc1 InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2 YIQPUIGJQJDJOS-UHFFFAOYSA-N 50035696 1,1''-{1,4-phenylenebis(methylene)}-bis{1,4,8,11-tetraaza-cyclotetradecane}::1,4,8,11-tetraazacyclotetradecanyl[4-(1,4,8,11-tetraazacyclotetradecanylmethyl)phenyl]methane::1,4,8,11-tetraazacyclotetradecanyl[4-(1,4,8,11-tetraazacyclotetradecanylmethyl)phenyl]methane(8HBr.2H2O)::1,4-bis((1,4,8,11-tetraazacyclotetradecan-1-yl)methyl)benzene::11''-xylyl bis-1,4,8,11-tetraazacyclotetradecane::11-{4-[4,8, 11-1,4,8,11tetraaza-cyclotetradec-1-ylmethyl]-benzyl}-1,4,8,11tetraaza-cyclotetradecane-1,4,8-tricarboxylic acid tri-tert-butyl ester::AMD-3100::CHEMBL18442::CHEMBL2311089::PLERIXAFOR::PLERIXAFOR OCTAHYDROCHLORIDE::US9205085, MSX-162 C-X-C chemokine receptor type 4 260 ChEMBL 10.1021/jm300862u 10.7270/Q2KW5H56 22909088 Ros-Blanco, L; Anido, J; Bosser, R; Este, J; Clotet, B; Kosoy, A; Ruiz-Avila, L; Teixido, J; Seoane, J; Borrell, JI Universitat Ramon Llull http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50035696 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50035696&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 65015 103943663 CHEMBL2311089CHEMBL18442 DB06809 844 ZINC22443609 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51038872 C(N1CCCNCCNCCCNCC1)c1ccc(CN2CCCNCCNCCCNCC2)cc1 InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2 YIQPUIGJQJDJOS-UHFFFAOYSA-N 50035696 1,1''-{1,4-phenylenebis(methylene)}-bis{1,4,8,11-tetraaza-cyclotetradecane}::1,4,8,11-tetraazacyclotetradecanyl[4-(1,4,8,11-tetraazacyclotetradecanylmethyl)phenyl]methane::1,4,8,11-tetraazacyclotetradecanyl[4-(1,4,8,11-tetraazacyclotetradecanylmethyl)phenyl]methane(8HBr.2H2O)::1,4-bis((1,4,8,11-tetraazacyclotetradecan-1-yl)methyl)benzene::11''-xylyl bis-1,4,8,11-tetraazacyclotetradecane::11-{4-[4,8, 11-1,4,8,11tetraaza-cyclotetradec-1-ylmethyl]-benzyl}-1,4,8,11tetraaza-cyclotetradecane-1,4,8-tricarboxylic acid tri-tert-butyl ester::AMD-3100::CHEMBL18442::CHEMBL2311089::PLERIXAFOR::PLERIXAFOR OCTAHYDROCHLORIDE::US9205085, MSX-162 C-X-C chemokine receptor type 4 12 ChEMBL 10.1021/jm1012374 10.7270/Q28C9XDV 21381769 Marsault, E; Peterson, ML Universite£ de Sherbrooke http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50035696 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50035696&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 65015 103943663 CHEMBL2311089CHEMBL18442 DB06809 844 ZINC22443609 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51001068 NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@@H](Cc2ccc3ccccc3c2)NC1=O InChI=1S/C36H47N11O6/c37-35(38)41-15-3-7-26-32(51)45-27(8-4-16-42-36(39)40)33(52)47-28(19-22-9-12-23-5-1-2-6-24(23)17-22)31(50)43-20-30(49)44-29(34(53)46-26)18-21-10-13-25(48)14-11-21/h1-2,5-6,9-14,17,26-29,48H,3-4,7-8,15-16,18-20H2,(H,43,50)(H,44,49)(H,45,51)(H,46,53)(H,47,52)(H4,37,38,41)(H4,39,40,42)/t26-,27-,28+,29+/m0/s1 MBXBICVKLVYNKD-QUAHOIDUSA-N 50410270 CHEMBL2112323 C-X-C chemokine receptor type 4 190 ChEMBL 10.1021/jm049429h 10.7270/Q27S7N98 15658852 Tamamura, H; Hiramatsu, K; Ueda, S; Wang, Z; Kusano, S; Terakubo, S; Trent, JO; Peiper, SC; Yamamoto, N; Nakashima, H; Otaka, A; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50410270 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50410270&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 5275848 163359294 CHEMBL2112323 ZINC95607291 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51001069 NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC[C@H](Cc2ccc3ccccc3c2)NC1=O InChI=1S/C36H49N11O5/c37-35(38)42-15-3-7-28-32(50)44-26(18-23-9-12-24-5-1-2-6-25(24)17-23)20-41-21-31(49)45-30(19-22-10-13-27(48)14-11-22)34(52)47-29(33(51)46-28)8-4-16-43-36(39)40/h1-2,5-6,9-14,17,26,28-30,41,48H,3-4,7-8,15-16,18-21H2,(H,44,50)(H,45,49)(H,46,51)(H,47,52)(H4,37,38,42)(H4,39,40,43)/t26-,28-,29-,30+/m0/s1 JBHBNSDPTJEGGW-ZVVXMFRTSA-N 50410271 CHEMBL2113071 C-X-C chemokine receptor type 4 32 ChEMBL 10.1021/jm049429h 10.7270/Q27S7N98 15658852 Tamamura, H; Hiramatsu, K; Ueda, S; Wang, Z; Kusano, S; Terakubo, S; Trent, JO; Peiper, SC; Yamamoto, N; Nakashima, H; Otaka, A; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50410271 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50410271&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 5275847 163359295 CHEMBL2113071 ZINC68009639 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51001070 NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)\C=C/1 InChI=1S/C37H48N10O5/c38-36(39)42-17-3-7-28-14-13-27(20-24-9-12-25-5-1-2-6-26(25)19-24)33(50)44-22-32(49)46-31(21-23-10-15-29(48)16-11-23)35(52)47-30(34(51)45-28)8-4-18-43-37(40)41/h1-2,5-6,9-16,19,27-28,30-31,48H,3-4,7-8,17-18,20-22H2,(H,44,50)(H,45,51)(H,46,49)(H,47,52)(H4,38,39,42)(H4,40,41,43)/b14-13-/t27-,28-,30-,31+/m0/s1 QXRJXEXMBUYASJ-SLZVWDLOSA-N 50410272 CHEMBL2113067 C-X-C chemokine receptor type 4 21000 ChEMBL 10.1021/jm049429h 10.7270/Q27S7N98 15658852 Tamamura, H; Hiramatsu, K; Ueda, S; Wang, Z; Kusano, S; Terakubo, S; Trent, JO; Peiper, SC; Yamamoto, N; Nakashima, H; Otaka, A; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50410272 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50410272&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 71450913 163359296 CHEMBL2113067 ZINC95607688 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51001071 NC(N)=NCCC[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)C\C=C\[C@H](Cc2ccc3ccccc3c2)NC1=O InChI=1S/C37H48N10O5/c38-36(39)42-18-4-9-29-33(50)44-27(21-24-12-15-25-6-1-2-7-26(25)20-24)8-3-11-32(49)45-31(22-23-13-16-28(48)17-14-23)35(52)47-30(34(51)46-29)10-5-19-43-37(40)41/h1-3,6-8,12-17,20,27,29-31,48H,4-5,9-11,18-19,21-22H2,(H,44,50)(H,45,49)(H,46,51)(H,47,52)(H4,38,39,42)(H4,40,41,43)/b8-3+/t27-,29+,30+,31-/m1/s1 IJCZPEALCMEGQR-ALIXNWDQSA-N 50410273 CHEMBL2113070 C-X-C chemokine receptor type 4 180 ChEMBL 10.1021/jm049429h 10.7270/Q27S7N98 15658852 Tamamura, H; Hiramatsu, K; Ueda, S; Wang, Z; Kusano, S; Terakubo, S; Trent, JO; Peiper, SC; Yamamoto, N; Nakashima, H; Otaka, A; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50410273 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50410273&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 5275846 163359297 CHEMBL2113070 ZINC95607678 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51001072 NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)NC(=O)[C@@H](Cc2ccc3ccccc3c2)\C=C/1 InChI=1S/C36H46N10O5/c37-34(38)41-17-3-7-27-14-13-26(20-23-9-12-24-5-1-2-6-25(24)19-23)31(48)46-36(51)45-30(21-22-10-15-28(47)16-11-22)33(50)44-29(32(49)43-27)8-4-18-42-35(39)40/h1-2,5-6,9-16,19,26-27,29-30,47H,3-4,7-8,17-18,20-21H2,(H,43,49)(H,44,50)(H4,37,38,41)(H4,39,40,42)(H2,45,46,48,51)/b14-13-/t26-,27+,29+,30-/m1/s1 WKOHTLYQCPIDRU-PEMJEHEQSA-N 50410274 CHEMBL2096822 C-X-C chemokine receptor type 4 31000 ChEMBL 10.1021/jm049429h 10.7270/Q27S7N98 15658852 Tamamura, H; Hiramatsu, K; Ueda, S; Wang, Z; Kusano, S; Terakubo, S; Trent, JO; Peiper, SC; Yamamoto, N; Nakashima, H; Otaka, A; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50410274 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50410274&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 70695561 163359298 CHEMBL2096822 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50524146 CCc1ccc(NCc2cccc(CNc3ccc(CC)cc3)n2)cc1 InChI=1S/C23H27N3/c1-3-18-8-12-20(13-9-18)24-16-22-6-5-7-23(26-22)17-25-21-14-10-19(4-2)11-15-21/h5-15,24-25H,3-4,16-17H2,1-2H3 RENIEDOXYLFLOO-UHFFFAOYSA-N 50198326 CHEMBL3908835 C-X-C chemokine receptor type 4 20 ChEMBL 10.1016/j.bmc.2016.08.018 10.7270/Q2WS8W7J 27576294 Gaines, T; Camp, D; Bai, R; Liang, Z; Yoon, Y; Shim, H; Mooring, SR Georgia State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50198326 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50198326&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 132578413 375978210 CHEMBL3908835 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50524147 C(N1CCOCC1)c1cccc(CN2CCOCC2)n1 InChI=1S/C15H23N3O2/c1-2-14(12-17-4-8-19-9-5-17)16-15(3-1)13-18-6-10-20-11-7-18/h1-3H,4-13H2 XIXRKCFARBWYKZ-UHFFFAOYSA-N 50198327 CHEMBL3948266 C-X-C chemokine receptor type 4 36 ChEMBL 10.1016/j.bmc.2016.08.018 10.7270/Q2WS8W7J 27576294 Gaines, T; Camp, D; Bai, R; Liang, Z; Yoon, Y; Shim, H; Mooring, SR Georgia State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50198327 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50198327&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 132578414 375978211 CHEMBL3948266 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50519213 C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O InChI=1S/C41H59N13O9S2/c1-23(48-34(57)27(49-24(2)55)15-9-17-46-40(42)43)33(56)53-31-21-64-65-22-32(39(62)63)54-37(60)30(20-26-13-7-4-8-14-26)52-36(59)29(19-25-11-5-3-6-12-25)51-35(58)28(50-38(31)61)16-10-18-47-41(44)45/h3-8,11-14,23,27-32H,9-10,15-22H2,1-2H3,(H,48,57)(H,49,55)(H,50,61)(H,51,58)(H,52,59)(H,53,56)(H,54,60)(H,62,63)(H4,42,43,46)(H4,44,45,47)/t23-,27-,28-,29-,30-,31+,32-/m0/s1 LUDUMCCMFRYVOR-ZYELEKFWSA-N 50192468 CHEMBL3923282 C-X-C chemokine receptor type 4 53 ChEMBL 10.1021/acs.jmedchem.6b00695 10.7270/Q2NZ89KJ 27571038 Di Maro, S; Trotta, AM; Brancaccio, D; Di Leva, FS; La Pietra, V; Ieranò, C; Napolitano, M; Portella, L; D'Alterio, C; Siciliano, RA; Sementa, D; Tomassi, S; Carotenuto, A; Novellino, E; Scala, S; Marinelli, L Second University of Naples http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50192468 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50192468&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 121595994 104075358 CHEMBL3923282 ZINC27761359 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50519214 C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC1=O)C(O)=O InChI=1S/C38H52N10O9S2/c1-21-31(50)45-27(17-24-11-6-4-7-12-24)34(53)46-28(18-25-13-8-5-9-14-25)35(54)48-30(37(56)57)20-59-58-19-29(36(55)43-21)47-32(51)22(2)42-33(52)26(44-23(3)49)15-10-16-41-38(39)40/h4-9,11-14,21-22,26-30H,10,15-20H2,1-3H3,(H,42,52)(H,43,55)(H,44,49)(H,45,50)(H,46,53)(H,47,51)(H,48,54)(H,56,57)(H4,39,40,41)/t21-,22-,26-,27-,28-,29+,30-/m0/s1 JPSZEGNUEWXSJN-WIAHXXNSSA-N 50192640 CHEMBL3927148 C-X-C chemokine receptor type 4 >10000 ChEMBL 10.1021/acs.jmedchem.6b00695 10.7270/Q2NZ89KJ 27571038 Di Maro, S; Trotta, AM; Brancaccio, D; Di Leva, FS; La Pietra, V; Ieranò, C; Napolitano, M; Portella, L; D'Alterio, C; Siciliano, RA; Sementa, D; Tomassi, S; Carotenuto, A; Novellino, E; Scala, S; Marinelli, L Second University of Naples http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50192640 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50192640&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 134140613 375075876 CHEMBL3927148 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50519215 C[C@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O InChI=1S/C38H52N10O9S2/c1-21(42-23(3)49)31(50)43-22(2)32(51)47-29-19-58-59-20-30(37(56)57)48-35(54)28(18-25-13-8-5-9-14-25)46-34(53)27(17-24-11-6-4-7-12-24)45-33(52)26(44-36(29)55)15-10-16-41-38(39)40/h4-9,11-14,21-22,26-30H,10,15-20H2,1-3H3,(H,42,49)(H,43,50)(H,44,55)(H,45,52)(H,46,53)(H,47,51)(H,48,54)(H,56,57)(H4,39,40,41)/t21-,22-,26-,27-,28-,29+,30-/m0/s1 PLAANWLFYYJGBD-WIAHXXNSSA-N 50192641 CHEMBL3933305 C-X-C chemokine receptor type 4 >10000 ChEMBL 10.1021/acs.jmedchem.6b00695 10.7270/Q2NZ89KJ 27571038 Di Maro, S; Trotta, AM; Brancaccio, D; Di Leva, FS; La Pietra, V; Ieranò, C; Napolitano, M; Portella, L; D'Alterio, C; Siciliano, RA; Sementa, D; Tomassi, S; Carotenuto, A; Novellino, E; Scala, S; Marinelli, L Second University of Naples http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50192641 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50192641&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 134137745 375075877 CHEMBL3933305 C04341 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50519216 C[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O InChI=1S/C41H59N13O9S2/c1-23(48-34(57)27(49-24(2)55)15-9-17-46-40(42)43)33(56)53-31-21-64-65-22-32(39(62)63)54-37(60)30(20-26-13-7-4-8-14-26)52-36(59)29(19-25-11-5-3-6-12-25)51-35(58)28(50-38(31)61)16-10-18-47-41(44)45/h3-8,11-14,23,27-32H,9-10,15-22H2,1-2H3,(H,48,57)(H,49,55)(H,50,61)(H,51,58)(H,52,59)(H,53,56)(H,54,60)(H,62,63)(H4,42,43,46)(H4,44,45,47)/t23-,27+,28+,29+,30+,31+,32+/m1/s1 LUDUMCCMFRYVOR-CUICDERCSA-N 50192642 CHEMBL3924369 C-X-C chemokine receptor type 4 >10000 ChEMBL 10.1021/acs.jmedchem.6b00695 10.7270/Q2NZ89KJ 27571038 Di Maro, S; Trotta, AM; Brancaccio, D; Di Leva, FS; La Pietra, V; Ieranò, C; Napolitano, M; Portella, L; D'Alterio, C; Siciliano, RA; Sementa, D; Tomassi, S; Carotenuto, A; Novellino, E; Scala, S; Marinelli, L Second University of Naples http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50192642 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50192642&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 134141065 375075878 CHEMBL3924369 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50519217 C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CCCNC(N)=N)NC1=O)C(O)=O InChI=1S/C41H59N13O9S2/c1-23(48-34(57)27(49-24(2)55)15-9-17-46-40(42)43)33(56)53-31-21-64-65-22-32(39(62)63)54-37(60)30(20-26-13-7-4-8-14-26)52-36(59)29(19-25-11-5-3-6-12-25)51-35(58)28(50-38(31)61)16-10-18-47-41(44)45/h3-8,11-14,23,27-32H,9-10,15-22H2,1-2H3,(H,48,57)(H,49,55)(H,50,61)(H,51,58)(H,52,59)(H,53,56)(H,54,60)(H,62,63)(H4,42,43,46)(H4,44,45,47)/t23-,27-,28+,29-,30-,31-,32-/m0/s1 LUDUMCCMFRYVOR-UHVAMKIBSA-N 50192643 CHEMBL3951019 C-X-C chemokine receptor type 4 >10000 ChEMBL 10.1021/acs.jmedchem.6b00695 10.7270/Q2NZ89KJ 27571038 Di Maro, S; Trotta, AM; Brancaccio, D; Di Leva, FS; La Pietra, V; Ieranò, C; Napolitano, M; Portella, L; D'Alterio, C; Siciliano, RA; Sementa, D; Tomassi, S; Carotenuto, A; Novellino, E; Scala, S; Marinelli, L Second University of Naples http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50192643 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50192643&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 134148082 375075879 CHEMBL3951019 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50519218 C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O InChI=1S/C41H59N13O9S2/c1-23(48-34(57)27(49-24(2)55)15-9-17-46-40(42)43)33(56)53-31-21-64-65-22-32(39(62)63)54-37(60)30(20-26-13-7-4-8-14-26)52-36(59)29(19-25-11-5-3-6-12-25)51-35(58)28(50-38(31)61)16-10-18-47-41(44)45/h3-8,11-14,23,27-32H,9-10,15-22H2,1-2H3,(H,48,57)(H,49,55)(H,50,61)(H,51,58)(H,52,59)(H,53,56)(H,54,60)(H,62,63)(H4,42,43,46)(H4,44,45,47)/t23-,27-,28-,29+,30-,31-,32-/m0/s1 LUDUMCCMFRYVOR-RKCRLZBJSA-N 50192644 CHEMBL3914285 C-X-C chemokine receptor type 4 >10000 ChEMBL 10.1021/acs.jmedchem.6b00695 10.7270/Q2NZ89KJ 27571038 Di Maro, S; Trotta, AM; Brancaccio, D; Di Leva, FS; La Pietra, V; Ieranò, C; Napolitano, M; Portella, L; D'Alterio, C; Siciliano, RA; Sementa, D; Tomassi, S; Carotenuto, A; Novellino, E; Scala, S; Marinelli, L Second University of Naples http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50192644 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50192644&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 134143037 375075880 CHEMBL3914285 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50519219 C[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O InChI=1S/C39H58N14O7S2/c1-22(48-33(56)25(40)14-8-16-46-38(42)43)32(55)53-30-21-62-61-20-29(31(41)54)52-36(59)28(19-24-12-6-3-7-13-24)51-35(58)27(18-23-10-4-2-5-11-23)50-34(57)26(49-37(30)60)15-9-17-47-39(44)45/h2-7,10-13,22,25-30H,8-9,14-21,40H2,1H3,(H2,41,54)(H,48,56)(H,49,60)(H,50,57)(H,51,58)(H,52,59)(H,53,55)(H4,42,43,46)(H4,44,45,47)/t22-,25-,26-,27-,28-,29-,30-/m0/s1 YBCJXDSBBHYPIM-ODKJCKIQSA-N 50192645 CHEMBL3952526 C-X-C chemokine receptor type 4 5900 ChEMBL 10.1021/acs.jmedchem.6b00695 10.7270/Q2NZ89KJ 27571038 Di Maro, S; Trotta, AM; Brancaccio, D; Di Leva, FS; La Pietra, V; Ieranò, C; Napolitano, M; Portella, L; D'Alterio, C; Siciliano, RA; Sementa, D; Tomassi, S; Carotenuto, A; Novellino, E; Scala, S; Marinelli, L Second University of Naples http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50192645 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50192645&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 134144508 375075881 CHEMBL3952526 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50519220 C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O InChI=1S/C41H60N14O8S2/c1-23(49-35(59)27(50-24(2)56)15-9-17-47-40(43)44)34(58)55-32-22-65-64-21-31(33(42)57)54-38(62)30(20-26-13-7-4-8-14-26)53-37(61)29(19-25-11-5-3-6-12-25)52-36(60)28(51-39(32)63)16-10-18-48-41(45)46/h3-8,11-14,23,27-32H,9-10,15-22H2,1-2H3,(H2,42,57)(H,49,59)(H,50,56)(H,51,63)(H,52,60)(H,53,61)(H,54,62)(H,55,58)(H4,43,44,47)(H4,45,46,48)/t23-,27-,28-,29-,30-,31-,32-/m0/s1 WLJDJPMNUJJVIX-HVEPFCGMSA-N 50192646 CHEMBL3916038 C-X-C chemokine receptor type 4 1230 ChEMBL 10.1021/acs.jmedchem.6b00695 10.7270/Q2NZ89KJ 27571038 Di Maro, S; Trotta, AM; Brancaccio, D; Di Leva, FS; La Pietra, V; Ieranò, C; Napolitano, M; Portella, L; D'Alterio, C; Siciliano, RA; Sementa, D; Tomassi, S; Carotenuto, A; Novellino, E; Scala, S; Marinelli, L Second University of Naples http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50192646 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50192646&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 134142869 375075882 CHEMBL3916038 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50519221 C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H]1CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O InChI=1S/C35H55N13O9S2/c1-18(42-29(52)22(44-20(3)49)11-7-13-40-34(36)37)27(50)47-25-16-58-59-17-26(33(56)57)48-28(51)19(2)43-31(54)24(15-21-9-5-4-6-10-21)46-30(53)23(45-32(25)55)12-8-14-41-35(38)39/h4-6,9-10,18-19,22-26H,7-8,11-17H2,1-3H3,(H,42,52)(H,43,54)(H,44,49)(H,45,55)(H,46,53)(H,47,50)(H,48,51)(H,56,57)(H4,36,37,40)(H4,38,39,41)/t18-,19-,22-,23-,24-,25+,26-/m0/s1 WPHCAUSMODTBQF-PCYMNQSWSA-N 50192647 CHEMBL3977069 C-X-C chemokine receptor type 4 >10000 ChEMBL 10.1021/acs.jmedchem.6b00695 10.7270/Q2NZ89KJ 27571038 Di Maro, S; Trotta, AM; Brancaccio, D; Di Leva, FS; La Pietra, V; Ieranò, C; Napolitano, M; Portella, L; D'Alterio, C; Siciliano, RA; Sementa, D; Tomassi, S; Carotenuto, A; Novellino, E; Scala, S; Marinelli, L Second University of Naples http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50192647 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50192647&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 134151866 375075883 CHEMBL3977069 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50519222 C(N1CCCNCCNCCCNCC1)c1ccc(CN2CCCNCCNCCCNCC2)cc1 InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2 YIQPUIGJQJDJOS-UHFFFAOYSA-N 50035696 1,1''-{1,4-phenylenebis(methylene)}-bis{1,4,8,11-tetraaza-cyclotetradecane}::1,4,8,11-tetraazacyclotetradecanyl[4-(1,4,8,11-tetraazacyclotetradecanylmethyl)phenyl]methane::1,4,8,11-tetraazacyclotetradecanyl[4-(1,4,8,11-tetraazacyclotetradecanylmethyl)phenyl]methane(8HBr.2H2O)::1,4-bis((1,4,8,11-tetraazacyclotetradecan-1-yl)methyl)benzene::11''-xylyl bis-1,4,8,11-tetraazacyclotetradecane::11-{4-[4,8, 11-1,4,8,11tetraaza-cyclotetradec-1-ylmethyl]-benzyl}-1,4,8,11tetraaza-cyclotetradecane-1,4,8-tricarboxylic acid tri-tert-butyl ester::AMD-3100::CHEMBL18442::CHEMBL2311089::PLERIXAFOR::PLERIXAFOR OCTAHYDROCHLORIDE::US9205085, MSX-162 C-X-C chemokine receptor type 4 6.0 ChEMBL 10.1021/acs.jmedchem.6b00695 10.7270/Q2NZ89KJ 27571038 Di Maro, S; Trotta, AM; Brancaccio, D; Di Leva, FS; La Pietra, V; Ieranò, C; Napolitano, M; Portella, L; D'Alterio, C; Siciliano, RA; Sementa, D; Tomassi, S; Carotenuto, A; Novellino, E; Scala, S; Marinelli, L Second University of Naples http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50035696 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50035696&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 65015 103943663 CHEMBL2311089CHEMBL18442 DB06809 844 ZINC22443609 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50519223 C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O InChI=1S/C41H59N13O9S2/c1-23(48-34(57)27(49-24(2)55)15-9-17-46-40(42)43)33(56)53-31-21-64-65-22-32(39(62)63)54-37(60)30(20-26-13-7-4-8-14-26)52-36(59)29(19-25-11-5-3-6-12-25)51-35(58)28(50-38(31)61)16-10-18-47-41(44)45/h3-8,11-14,23,27-32H,9-10,15-22H2,1-2H3,(H,48,57)(H,49,55)(H,50,61)(H,51,58)(H,52,59)(H,53,56)(H,54,60)(H,62,63)(H4,42,43,46)(H4,44,45,47)/t23-,27-,28-,29-,30-,31+,32-/m0/s1 LUDUMCCMFRYVOR-ZYELEKFWSA-N 50192468 CHEMBL3923282 C-X-C chemokine receptor type 4 64 ChEMBL 10.1021/acs.jmedchem.6b00695 10.7270/Q2NZ89KJ 27571038 Di Maro, S; Trotta, AM; Brancaccio, D; Di Leva, FS; La Pietra, V; Ieranò, C; Napolitano, M; Portella, L; D'Alterio, C; Siciliano, RA; Sementa, D; Tomassi, S; Carotenuto, A; Novellino, E; Scala, S; Marinelli, L Second University of Naples http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50192468 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50192468&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 121595994 104075358 CHEMBL3923282 ZINC27761359 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50519224 C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O InChI=1S/C41H59N13O9S2/c1-23(48-34(57)27(49-24(2)55)15-9-17-46-40(42)43)33(56)53-31-21-64-65-22-32(39(62)63)54-37(60)30(20-26-13-7-4-8-14-26)52-36(59)29(19-25-11-5-3-6-12-25)51-35(58)28(50-38(31)61)16-10-18-47-41(44)45/h3-8,11-14,23,27-32H,9-10,15-22H2,1-2H3,(H,48,57)(H,49,55)(H,50,61)(H,51,58)(H,52,59)(H,53,56)(H,54,60)(H,62,63)(H4,42,43,46)(H4,44,45,47)/t23-,27-,28-,29-,30+,31-,32-/m0/s1 LUDUMCCMFRYVOR-MCYKHUIBSA-N 50192648 CHEMBL3942287 C-X-C chemokine receptor type 4 >10000 ChEMBL 10.1021/acs.jmedchem.6b00695 10.7270/Q2NZ89KJ 27571038 Di Maro, S; Trotta, AM; Brancaccio, D; Di Leva, FS; La Pietra, V; Ieranò, C; Napolitano, M; Portella, L; D'Alterio, C; Siciliano, RA; Sementa, D; Tomassi, S; Carotenuto, A; Novellino, E; Scala, S; Marinelli, L Second University of Naples http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50192648 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50192648&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 134145647 375075884 CHEMBL3942287 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50519225 C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O InChI=1S/C41H59N13O9S2/c1-23(48-34(57)27(49-24(2)55)15-9-17-46-40(42)43)33(56)53-31-21-64-65-22-32(39(62)63)54-37(60)30(20-26-13-7-4-8-14-26)52-36(59)29(19-25-11-5-3-6-12-25)51-35(58)28(50-38(31)61)16-10-18-47-41(44)45/h3-8,11-14,23,27-32H,9-10,15-22H2,1-2H3,(H,48,57)(H,49,55)(H,50,61)(H,51,58)(H,52,59)(H,53,56)(H,54,60)(H,62,63)(H4,42,43,46)(H4,44,45,47)/t23-,27+,28-,29-,30-,31-,32-/m0/s1 LUDUMCCMFRYVOR-YVVCNFFISA-N 50192649 CHEMBL3896351 C-X-C chemokine receptor type 4 >10000 ChEMBL 10.1021/acs.jmedchem.6b00695 10.7270/Q2NZ89KJ 27571038 Di Maro, S; Trotta, AM; Brancaccio, D; Di Leva, FS; La Pietra, V; Ieranò, C; Napolitano, M; Portella, L; D'Alterio, C; Siciliano, RA; Sementa, D; Tomassi, S; Carotenuto, A; Novellino, E; Scala, S; Marinelli, L Second University of Naples http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50192649 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50192649&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 134133393 375075885 CHEMBL3896351 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50519226 C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@H]1CSSC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O InChI=1S/C41H59N13O9S2/c1-23(48-34(57)27(49-24(2)55)15-9-17-46-40(42)43)33(56)53-31-21-64-65-22-32(39(62)63)54-37(60)30(20-26-13-7-4-8-14-26)52-36(59)29(19-25-11-5-3-6-12-25)51-35(58)28(50-38(31)61)16-10-18-47-41(44)45/h3-8,11-14,23,27-32H,9-10,15-22H2,1-2H3,(H,48,57)(H,49,55)(H,50,61)(H,51,58)(H,52,59)(H,53,56)(H,54,60)(H,62,63)(H4,42,43,46)(H4,44,45,47)/t23-,27-,28-,29-,30-,31-,32+/m0/s1 LUDUMCCMFRYVOR-GLEWXIABSA-N 50192650 CHEMBL3981298 C-X-C chemokine receptor type 4 5900 ChEMBL 10.1021/acs.jmedchem.6b00695 10.7270/Q2NZ89KJ 27571038 Di Maro, S; Trotta, AM; Brancaccio, D; Di Leva, FS; La Pietra, V; Ieranò, C; Napolitano, M; Portella, L; D'Alterio, C; Siciliano, RA; Sementa, D; Tomassi, S; Carotenuto, A; Novellino, E; Scala, S; Marinelli, L Second University of Naples http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50192650 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50192650&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 134157327 375075886 CHEMBL3981298 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50519227 C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O InChI=1S/C41H59N13O9S2/c1-23(48-34(57)27(49-24(2)55)15-9-17-46-40(42)43)33(56)53-31-21-64-65-22-32(39(62)63)54-37(60)30(20-26-13-7-4-8-14-26)52-36(59)29(19-25-11-5-3-6-12-25)51-35(58)28(50-38(31)61)16-10-18-47-41(44)45/h3-8,11-14,23,27-32H,9-10,15-22H2,1-2H3,(H,48,57)(H,49,55)(H,50,61)(H,51,58)(H,52,59)(H,53,56)(H,54,60)(H,62,63)(H4,42,43,46)(H4,44,45,47)/t23-,27-,28-,29-,30-,31-,32-/m0/s1 LUDUMCCMFRYVOR-HVEPFCGMSA-N 50192651 CHEMBL3980379 C-X-C chemokine receptor type 4 131 ChEMBL 10.1021/acs.jmedchem.6b00695 10.7270/Q2NZ89KJ 27571038 Di Maro, S; Trotta, AM; Brancaccio, D; Di Leva, FS; La Pietra, V; Ieranò, C; Napolitano, M; Portella, L; D'Alterio, C; Siciliano, RA; Sementa, D; Tomassi, S; Carotenuto, A; Novellino, E; Scala, S; Marinelli, L Second University of Naples http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50192651 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50192651&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 134157900 375075887 CHEMBL3980379 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50519228 C[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O InChI=1S/C39H57N13O8S2/c1-22(47-32(54)25(40)14-8-16-45-38(41)42)31(53)51-29-20-61-62-21-30(37(59)60)52-35(57)28(19-24-12-6-3-7-13-24)50-34(56)27(18-23-10-4-2-5-11-23)49-33(55)26(48-36(29)58)15-9-17-46-39(43)44/h2-7,10-13,22,25-30H,8-9,14-21,40H2,1H3,(H,47,54)(H,48,58)(H,49,55)(H,50,56)(H,51,53)(H,52,57)(H,59,60)(H4,41,42,45)(H4,43,44,46)/t22-,25-,26-,27-,28-,29-,30-/m0/s1 WOVYKVDSWWPJMK-ODKJCKIQSA-N 50192652 CHEMBL3901189 C-X-C chemokine receptor type 4 5200 ChEMBL 10.1021/acs.jmedchem.6b00695 10.7270/Q2NZ89KJ 27571038 Di Maro, S; Trotta, AM; Brancaccio, D; Di Leva, FS; La Pietra, V; Ieranò, C; Napolitano, M; Portella, L; D'Alterio, C; Siciliano, RA; Sementa, D; Tomassi, S; Carotenuto, A; Novellino, E; Scala, S; Marinelli, L Second University of Naples http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50192652 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50192652&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 121595992 375075888 CHEMBL3901189 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50519229 C[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O InChI=1S/C39H57N13O8S2/c1-22(47-32(54)25(40)14-8-16-45-38(41)42)31(53)51-29-20-61-62-21-30(37(59)60)52-35(57)28(19-24-12-6-3-7-13-24)50-34(56)27(18-23-10-4-2-5-11-23)49-33(55)26(48-36(29)58)15-9-17-46-39(43)44/h2-7,10-13,22,25-30H,8-9,14-21,40H2,1H3,(H,47,54)(H,48,58)(H,49,55)(H,50,56)(H,51,53)(H,52,57)(H,59,60)(H4,41,42,45)(H4,43,44,46)/t22-,25-,26-,27-,28-,29-,30-/m0/s1 WOVYKVDSWWPJMK-ODKJCKIQSA-N 50192652 CHEMBL3901189 C-X-C chemokine receptor type 4 6200 ChEMBL 10.1021/acs.jmedchem.6b00695 10.7270/Q2NZ89KJ 27571038 Di Maro, S; Trotta, AM; Brancaccio, D; Di Leva, FS; La Pietra, V; Ieranò, C; Napolitano, M; Portella, L; D'Alterio, C; Siciliano, RA; Sementa, D; Tomassi, S; Carotenuto, A; Novellino, E; Scala, S; Marinelli, L Second University of Naples http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50192652 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50192652&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 121595992 375075888 CHEMBL3901189 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50519230 C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O InChI=1S/C35H55N13O9S2/c1-18-27(50)46-24(15-21-9-5-4-6-10-21)31(54)48-26(33(56)57)17-59-58-16-25(32(55)45-23(30(53)43-18)12-8-14-41-35(38)39)47-28(51)19(2)42-29(52)22(44-20(3)49)11-7-13-40-34(36)37/h4-6,9-10,18-19,22-26H,7-8,11-17H2,1-3H3,(H,42,52)(H,43,53)(H,44,49)(H,45,55)(H,46,50)(H,47,51)(H,48,54)(H,56,57)(H4,36,37,40)(H4,38,39,41)/t18-,19-,22-,23-,24-,25+,26-/m0/s1 RWULHNOCEASNNO-PCYMNQSWSA-N 50192653 CHEMBL3906404 C-X-C chemokine receptor type 4 >10000 ChEMBL 10.1021/acs.jmedchem.6b00695 10.7270/Q2NZ89KJ 27571038 Di Maro, S; Trotta, AM; Brancaccio, D; Di Leva, FS; La Pietra, V; Ieranò, C; Napolitano, M; Portella, L; D'Alterio, C; Siciliano, RA; Sementa, D; Tomassi, S; Carotenuto, A; Novellino, E; Scala, S; Marinelli, L Second University of Naples http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50192653 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50192653&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 134136045 375075889 CHEMBL3906404 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50521988 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(O)=O InChI=1S/C137H218N46O31S2/c1-74(2)63-96(172-123(205)102(70-185)177-109(191)76(4)163-127(209)106-35-21-61-182(106)129(211)87(142)25-7-11-51-138)117(199)179-103(71-186)124(206)174-97(65-77-38-45-83(187)46-39-77)118(200)169-92(33-19-59-160-136(151)152)115(197)178-101(69-184)122(204)162-75(3)108(190)155-54-14-10-29-95(131(213)214)171-125(207)104-72-215-216-73-105(181-121(203)100(68-80-37-44-81-23-5-6-24-82(81)64-80)173-114(196)89(30-16-56-157-133(145)146)164-110(192)86(141)26-15-55-156-132(143)144)126(208)175-98(66-78-40-47-84(188)48-41-78)119(201)167-90(31-17-57-158-134(147)148)111(193)165-88(27-8-12-52-139)113(195)170-94(28-9-13-53-140)130(212)183-62-22-36-107(183)128(210)176-99(67-79-42-49-85(189)50-43-79)120(202)168-91(32-18-58-159-135(149)150)112(194)166-93(116(198)180-104)34-20-60-161-137(153)154/h5-6,23-24,37-50,64,74-76,86-107,184-189H,7-22,25-36,51-63,65-73,138-142H2,1-4H3,(H,155,190)(H,162,204)(H,163,209)(H,164,192)(H,165,193)(H,166,194)(H,167,201)(H,168,202)(H,169,200)(H,170,195)(H,171,207)(H,172,205)(H,173,196)(H,174,206)(H,175,208)(H,176,210)(H,177,191)(H,178,197)(H,179,199)(H,180,198)(H,181,203)(H,213,214)(H4,143,144,156)(H4,145,146,157)(H4,147,148,158)(H4,149,150,159)(H4,151,152,160)(H4,153,154,161)/t75-,76-,86-,87-,88-,89-,90-,91-,92-,93-,94+,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-/m0/s1 PGKNQTLFVUCWOF-KIXWGVOCSA-N 50196239 CHEMBL3924163 C-X-C chemokine receptor type 4 56 ChEMBL 10.1021/acs.jmedchem.6b00566 10.7270/Q2MP5576 27434274 Mona, CE; Besserer-Offroy, É; Cabana, J; Lefrançois, M; Boulais, PE; Lefebvre, MR; Leduc, R; Lavigne, P; Heveker, N; Marsault, É; Escher, E Universit£ de Sherbrooke http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196239 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196239&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 134140664 104078115 CHEMBL3924163 ZINC35065252 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50521989 CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(O)=O InChI=1S/C139H222N46O30S2/c1-75(2)65-98(174-111(192)78(6)165-130(211)109(76(3)4)183-129(210)108-38-23-63-184(108)131(212)89(144)27-9-13-53-140)119(200)180-104(72-187)125(206)176-99(67-79-40-47-85(188)48-41-79)120(201)171-94(35-21-61-162-138(153)154)117(198)179-103(71-186)124(205)164-77(5)110(191)157-56-16-12-31-97(133(214)215)173-126(207)105-73-216-217-74-106(182-123(204)102(70-82-39-46-83-25-7-8-26-84(83)66-82)175-116(197)91(32-18-58-159-135(147)148)166-112(193)88(143)28-17-57-158-134(145)146)127(208)177-100(68-80-42-49-86(189)50-43-80)121(202)169-92(33-19-59-160-136(149)150)113(194)167-90(29-10-14-54-141)115(196)172-96(30-11-15-55-142)132(213)185-64-24-37-107(185)128(209)178-101(69-81-44-51-87(190)52-45-81)122(203)170-93(34-20-60-161-137(151)152)114(195)168-95(118(199)181-105)36-22-62-163-139(155)156/h7-8,25-26,39-52,66,75-78,88-109,186-190H,9-24,27-38,53-65,67-74,140-144H2,1-6H3,(H,157,191)(H,164,205)(H,165,211)(H,166,193)(H,167,194)(H,168,195)(H,169,202)(H,170,203)(H,171,201)(H,172,196)(H,173,207)(H,174,192)(H,175,197)(H,176,206)(H,177,208)(H,178,209)(H,179,198)(H,180,200)(H,181,199)(H,182,204)(H,183,210)(H,214,215)(H4,145,146,158)(H4,147,148,159)(H4,149,150,160)(H4,151,152,161)(H4,153,154,162)(H4,155,156,163)/t77-,78-,88-,89-,90-,91-,92-,93-,94-,95-,96+,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-/m0/s1 KCEZNHJHOIXMRG-GBWBSACESA-N 50196240 CHEMBL3896146 C-X-C chemokine receptor type 4 56 ChEMBL 10.1021/acs.jmedchem.6b00566 10.7270/Q2MP5576 27434274 Mona, CE; Besserer-Offroy, É; Cabana, J; Lefrançois, M; Boulais, PE; Lefebvre, MR; Leduc, R; Lavigne, P; Heveker, N; Marsault, É; Escher, E Universit£ de Sherbrooke http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196240 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196240&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 134134008 104078116 CHEMBL3896146 ZINC35065242 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50521990 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc2cc3ccccc3cc2c1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(O)=O InChI=1S/C151H226N46O31S2/c1-83(2)68-109(185-137(219)116(79-199)193-134(216)114(75-89-41-49-94-76-92-26-6-7-27-93(92)77-95(94)70-89)190-141(223)120-38-22-66-196(120)143(225)100(156)28-8-12-56-152)130(212)192-117(80-200)138(220)187-110(71-85-42-50-96(201)51-43-85)131(213)182-105(36-20-64-174-150(165)166)128(210)191-115(78-198)136(218)176-84(3)122(204)169-59-15-11-32-108(145(227)228)184-139(221)118-81-229-230-82-119(195-135(217)113(74-88-40-48-90-24-4-5-25-91(90)69-88)186-127(209)102(33-17-61-171-147(159)160)177-123(205)99(155)29-16-60-170-146(157)158)140(222)188-111(72-86-44-52-97(202)53-45-86)132(214)180-103(34-18-62-172-148(161)162)124(206)178-101(30-9-13-57-153)126(208)183-107(31-10-14-58-154)144(226)197-67-23-39-121(197)142(224)189-112(73-87-46-54-98(203)55-47-87)133(215)181-104(35-19-63-173-149(163)164)125(207)179-106(129(211)194-118)37-21-65-175-151(167)168/h4-7,24-27,40-55,69-70,76-77,83-84,99-121,198-203H,8-23,28-39,56-68,71-75,78-82,152-156H2,1-3H3,(H,169,204)(H,176,218)(H,177,205)(H,178,206)(H,179,207)(H,180,214)(H,181,215)(H,182,213)(H,183,208)(H,184,221)(H,185,219)(H,186,209)(H,187,220)(H,188,222)(H,189,224)(H,190,223)(H,191,210)(H,192,212)(H,193,216)(H,194,211)(H,195,217)(H,227,228)(H4,157,158,170)(H4,159,160,171)(H4,161,162,172)(H4,163,164,173)(H4,165,166,174)(H4,167,168,175)/t84-,99-,100-,101-,102-,103-,104-,105-,106-,107+,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-/m0/s1 XNXGVVMLNRKLGT-FURIBFRVSA-N 50196241 CHEMBL3902240 C-X-C chemokine receptor type 4 81 ChEMBL 10.1021/acs.jmedchem.6b00566 10.7270/Q2MP5576 27434274 Mona, CE; Besserer-Offroy, É; Cabana, J; Lefrançois, M; Boulais, PE; Lefebvre, MR; Leduc, R; Lavigne, P; Heveker, N; Marsault, É; Escher, E Universit£ de Sherbrooke http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196241 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196241&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 134135404 104078117 CHEMBL3902240 ZINC35065248 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50521991 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(O)=O InChI=1S/C139H221FN46O30S2/c1-75(2)64-97(174-125(207)104(72-189)181-130(212)109(76(3)4)184-129(211)108-37-22-62-185(108)131(213)88(145)26-8-12-52-141)118(200)180-103(71-188)124(206)176-98(66-78-39-46-84(140)47-40-78)119(201)171-93(34-20-60-163-138(154)155)116(198)179-102(70-187)123(205)165-77(5)110(192)158-55-15-11-30-96(133(215)216)173-126(208)105-73-217-218-74-106(183-122(204)101(69-81-38-45-82-24-6-7-25-83(82)65-81)175-115(197)90(31-17-57-160-135(148)149)166-111(193)87(144)27-16-56-159-134(146)147)127(209)177-99(67-79-41-48-85(190)49-42-79)120(202)169-91(32-18-58-161-136(150)151)112(194)167-89(28-9-13-53-142)114(196)172-95(29-10-14-54-143)132(214)186-63-23-36-107(186)128(210)178-100(68-80-43-50-86(191)51-44-80)121(203)170-92(33-19-59-162-137(152)153)113(195)168-94(117(199)182-105)35-21-61-164-139(156)157/h6-7,24-25,38-51,65,75-77,87-109,187-191H,8-23,26-37,52-64,66-74,141-145H2,1-5H3,(H,158,192)(H,165,205)(H,166,193)(H,167,194)(H,168,195)(H,169,202)(H,170,203)(H,171,201)(H,172,196)(H,173,208)(H,174,207)(H,175,197)(H,176,206)(H,177,209)(H,178,210)(H,179,198)(H,180,200)(H,181,212)(H,182,199)(H,183,204)(H,184,211)(H,215,216)(H4,146,147,159)(H4,148,149,160)(H4,150,151,161)(H4,152,153,162)(H4,154,155,163)(H4,156,157,164)/t77-,87-,88-,89-,90-,91-,92-,93-,94-,95+,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-/m0/s1 QPIOZLDXNYNMCK-ZNJXPDDDSA-N 50196242 CHEMBL3940962 C-X-C chemokine receptor type 4 83 ChEMBL 10.1021/acs.jmedchem.6b00566 10.7270/Q2MP5576 27434274 Mona, CE; Besserer-Offroy, É; Cabana, J; Lefrançois, M; Boulais, PE; Lefebvre, MR; Leduc, R; Lavigne, P; Heveker, N; Marsault, É; Escher, E Universit£ de Sherbrooke http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196242 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196242&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 134145451 104078118 CHEMBL3940962 ZINC35065250 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50521992 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(cc1)C(=O)c1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(O)=O InChI=1S/C147H221N41O32S2/c1-86(2)75-108(177-134(208)114(82-189)184-132(206)112(78-87-38-48-94(49-39-87)121(195)93-24-4-3-5-25-93)182-138(212)118-36-21-67-187(118)140(214)100(152)27-8-12-57-148)129(203)183-115(83-190)135(209)178-109(77-88-41-50-96(191)51-42-88)123(197)164-66-70-219-72-74-220-73-71-218-69-56-120(194)163-60-15-11-31-107(142(216)217)176-136(210)116-84-221-222-85-117(186-133(207)113(81-91-40-47-92-23-6-7-26-95(92)76-91)179-127(201)102(32-17-62-166-144(155)156)170-122(196)99(151)28-16-61-165-143(153)154)137(211)180-110(79-89-43-52-97(192)53-44-89)130(204)173-103(33-18-63-167-145(157)158)124(198)171-101(29-9-13-58-149)126(200)175-106(30-10-14-59-150)141(215)188-68-22-37-119(188)139(213)181-111(80-90-45-54-98(193)55-46-90)131(205)174-104(34-19-64-168-146(159)160)125(199)172-105(128(202)185-116)35-20-65-169-147(161)162/h3-7,23-26,38-55,76,86,99-119,189-193H,8-22,27-37,56-75,77-85,148-152H2,1-2H3,(H,163,194)(H,164,197)(H,170,196)(H,171,198)(H,172,199)(H,173,204)(H,174,205)(H,175,200)(H,176,210)(H,177,208)(H,178,209)(H,179,201)(H,180,211)(H,181,213)(H,182,212)(H,183,203)(H,184,206)(H,185,202)(H,186,207)(H,216,217)(H4,153,154,165)(H4,155,156,166)(H4,157,158,167)(H4,159,160,168)(H4,161,162,169)/t99-,100-,101-,102-,103-,104-,105-,106+,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-/m0/s1 VPSHFDINTXEKET-ZDMOHFETSA-N 50196243 CHEMBL3923006 C-X-C chemokine receptor type 4 112 ChEMBL 10.1021/acs.jmedchem.6b00566 10.7270/Q2MP5576 27434274 Mona, CE; Besserer-Offroy, É; Cabana, J; Lefrançois, M; Boulais, PE; Lefebvre, MR; Leduc, R; Lavigne, P; Heveker, N; Marsault, É; Escher, E Universit£ de Sherbrooke http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196243 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196243&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 134139386 104078119 CHEMBL3923006 ZINC35065246 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50521993 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(cc1)[N+]([O-])=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(O)=O InChI=1S/C139H221N47O32S2/c1-75(2)64-97(173-125(207)104(72-189)180-130(212)109(76(3)4)183-129(211)108-37-22-62-184(108)131(213)88(144)26-8-12-52-140)118(200)179-103(71-188)124(206)175-98(66-78-39-46-84(47-40-78)186(217)218)119(201)170-93(34-20-60-162-138(153)154)116(198)178-102(70-187)123(205)164-77(5)110(192)157-55-15-11-30-96(133(215)216)172-126(208)105-73-219-220-74-106(182-122(204)101(69-81-38-45-82-24-6-7-25-83(82)65-81)174-115(197)90(31-17-57-159-135(147)148)165-111(193)87(143)27-16-56-158-134(145)146)127(209)176-99(67-79-41-48-85(190)49-42-79)120(202)168-91(32-18-58-160-136(149)150)112(194)166-89(28-9-13-53-141)114(196)171-95(29-10-14-54-142)132(214)185-63-23-36-107(185)128(210)177-100(68-80-43-50-86(191)51-44-80)121(203)169-92(33-19-59-161-137(151)152)113(195)167-94(117(199)181-105)35-21-61-163-139(155)156/h6-7,24-25,38-51,65,75-77,87-109,187-191H,8-23,26-37,52-64,66-74,140-144H2,1-5H3,(H,157,192)(H,164,205)(H,165,193)(H,166,194)(H,167,195)(H,168,202)(H,169,203)(H,170,201)(H,171,196)(H,172,208)(H,173,207)(H,174,197)(H,175,206)(H,176,209)(H,177,210)(H,178,198)(H,179,200)(H,180,212)(H,181,199)(H,182,204)(H,183,211)(H,215,216)(H4,145,146,158)(H4,147,148,159)(H4,149,150,160)(H4,151,152,161)(H4,153,154,162)(H4,155,156,163)/t77-,87-,88-,89-,90-,91-,92-,93-,94-,95+,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-/m0/s1 DFLVOQFANLVCQV-ZNJXPDDDSA-N 50196244 CHEMBL3896065 C-X-C chemokine receptor type 4 109 ChEMBL 10.1021/acs.jmedchem.6b00566 10.7270/Q2MP5576 27434274 Mona, CE; Besserer-Offroy, É; Cabana, J; Lefrançois, M; Boulais, PE; Lefebvre, MR; Leduc, R; Lavigne, P; Heveker, N; Marsault, É; Escher, E Universit£ de Sherbrooke http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196244 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196244&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 134134119 104078120 CHEMBL3896065 ZINC38145012 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50521994 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)c1cc2ccccc2[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(O)=O InChI=1S/C144H221N47O31S2/c1-78(2)66-102(179-130(213)109(75-194)186-135(218)114(101-72-86-26-6-7-29-92(86)170-101)189-134(217)113-39-22-64-190(113)136(219)91(149)27-8-12-54-145)123(206)185-108(74-193)129(212)181-103(68-80-41-48-87(195)49-42-80)124(207)176-97(36-20-62-167-143(158)159)121(204)184-107(73-192)128(211)169-79(3)115(198)162-57-15-11-32-100(138(221)222)178-131(214)110-76-223-224-77-111(188-127(210)106(71-83-40-47-84-24-4-5-25-85(84)67-83)180-120(203)94(33-17-59-164-140(152)153)171-116(199)90(148)28-16-58-163-139(150)151)132(215)182-104(69-81-43-50-88(196)51-44-81)125(208)174-95(34-18-60-165-141(154)155)117(200)172-93(30-9-13-55-146)119(202)177-99(31-10-14-56-147)137(220)191-65-23-38-112(191)133(216)183-105(70-82-45-52-89(197)53-46-82)126(209)175-96(35-19-61-166-142(156)157)118(201)173-98(122(205)187-110)37-21-63-168-144(160)161/h4-7,24-26,29,40-53,67,72,78-79,90-91,93-100,102-114,170,192-197H,8-23,27-28,30-39,54-66,68-71,73-77,145-149H2,1-3H3,(H,162,198)(H,169,211)(H,171,199)(H,172,200)(H,173,201)(H,174,208)(H,175,209)(H,176,207)(H,177,202)(H,178,214)(H,179,213)(H,180,203)(H,181,212)(H,182,215)(H,183,216)(H,184,204)(H,185,206)(H,186,218)(H,187,205)(H,188,210)(H,189,217)(H,221,222)(H4,150,151,163)(H4,152,153,164)(H4,154,155,165)(H4,156,157,166)(H4,158,159,167)(H4,160,161,168)/t79-,90-,91-,93-,94-,95-,96-,97-,98-,99+,100-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-/m0/s1 LZJCIUUHBAXEDP-PQAVBHKMSA-N 50196251 CHEMBL3912312 C-X-C chemokine receptor type 4 18 ChEMBL 10.1021/acs.jmedchem.6b00566 10.7270/Q2MP5576 27434274 Mona, CE; Besserer-Offroy, É; Cabana, J; Lefrançois, M; Boulais, PE; Lefebvre, MR; Leduc, R; Lavigne, P; Heveker, N; Marsault, É; Escher, E Universit£ de Sherbrooke http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196251 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196251&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 134132933 375977334 CHEMBL3912312 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50521995 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(O)=O InChI=1S/C139H222N46O31S2/c1-75(2)64-97(173-125(207)104(72-188)180-130(212)109(76(3)4)183-129(211)108-37-22-62-184(108)131(213)88(144)26-8-12-52-140)118(200)179-103(71-187)124(206)175-98(66-78-39-46-84(189)47-40-78)119(201)170-93(34-20-60-162-138(153)154)116(198)178-102(70-186)123(205)164-77(5)110(192)157-55-15-11-30-96(133(215)216)172-126(208)105-73-217-218-74-106(182-122(204)101(69-81-38-45-82-24-6-7-25-83(82)65-81)174-115(197)90(31-17-57-159-135(147)148)165-111(193)87(143)27-16-56-158-134(145)146)127(209)176-99(67-79-41-48-85(190)49-42-79)120(202)168-91(32-18-58-160-136(149)150)112(194)166-89(28-9-13-53-141)114(196)171-95(29-10-14-54-142)132(214)185-63-23-36-107(185)128(210)177-100(68-80-43-50-86(191)51-44-80)121(203)169-92(33-19-59-161-137(151)152)113(195)167-94(117(199)181-105)35-21-61-163-139(155)156/h6-7,24-25,38-51,65,75-77,87-109,186-191H,8-23,26-37,52-64,66-74,140-144H2,1-5H3,(H,157,192)(H,164,205)(H,165,193)(H,166,194)(H,167,195)(H,168,202)(H,169,203)(H,170,201)(H,171,196)(H,172,208)(H,173,207)(H,174,197)(H,175,206)(H,176,209)(H,177,210)(H,178,198)(H,179,200)(H,180,212)(H,181,199)(H,182,204)(H,183,211)(H,215,216)(H4,145,146,158)(H4,147,148,159)(H4,149,150,160)(H4,151,152,161)(H4,153,154,162)(H4,155,156,163)/t77-,87-,88-,89-,90-,91-,92-,93-,94-,95+,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108+,109-/m0/s1 IRZLWZCLWVZBHE-QQLKFLAESA-N 50196252 CHEMBL3932032 C-X-C chemokine receptor type 4 151 ChEMBL 10.1021/acs.jmedchem.6b00566 10.7270/Q2MP5576 27434274 Mona, CE; Besserer-Offroy, É; Cabana, J; Lefrançois, M; Boulais, PE; Lefebvre, MR; Leduc, R; Lavigne, P; Heveker, N; Marsault, É; Escher, E Universit£ de Sherbrooke http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196252 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196252&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 134137723 104078127 CHEMBL3932032 ZINC35065305 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50521996 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(O)=O InChI=1S/C144H224N46O31S2/c1-80(2)68-102(178-130(212)109(77-193)185-134(216)114(74-82-26-6-5-7-27-82)188(4)137(219)113-41-25-67-190(113)135(217)93(149)30-10-14-56-145)123(205)184-108(76-192)129(211)180-103(70-83-43-50-89(194)51-44-83)124(206)175-98(38-22-64-167-143(158)159)121(203)183-107(75-191)128(210)169-81(3)115(197)162-59-17-13-34-101(138(220)221)177-131(213)110-78-222-223-79-111(187-127(209)106(73-86-42-49-87-28-8-9-29-88(87)69-86)179-120(202)95(35-19-61-164-140(152)153)170-116(198)92(148)31-18-60-163-139(150)151)132(214)181-104(71-84-45-52-90(195)53-46-84)125(207)173-96(36-20-62-165-141(154)155)117(199)171-94(32-11-15-57-146)119(201)176-100(33-12-16-58-147)136(218)189-66-24-40-112(189)133(215)182-105(72-85-47-54-91(196)55-48-85)126(208)174-97(37-21-63-166-142(156)157)118(200)172-99(122(204)186-110)39-23-65-168-144(160)161/h5-9,26-29,42-55,69,80-81,92-114,191-196H,10-25,30-41,56-68,70-79,145-149H2,1-4H3,(H,162,197)(H,169,210)(H,170,198)(H,171,199)(H,172,200)(H,173,207)(H,174,208)(H,175,206)(H,176,201)(H,177,213)(H,178,212)(H,179,202)(H,180,211)(H,181,214)(H,182,215)(H,183,203)(H,184,205)(H,185,216)(H,186,204)(H,187,209)(H,220,221)(H4,150,151,163)(H4,152,153,164)(H4,154,155,165)(H4,156,157,166)(H4,158,159,167)(H4,160,161,168)/t81-,92-,93-,94-,95-,96-,97-,98-,99-,100+,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-/m0/s1 FSRXXUHUVPOJTO-FAKZYMQDSA-N 50196253 CHEMBL3931947 C-X-C chemokine receptor type 4 678 ChEMBL 10.1021/acs.jmedchem.6b00566 10.7270/Q2MP5576 27434274 Mona, CE; Besserer-Offroy, É; Cabana, J; Lefrançois, M; Boulais, PE; Lefebvre, MR; Leduc, R; Lavigne, P; Heveker, N; Marsault, É; Escher, E Universit£ de Sherbrooke http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196253 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196253&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 134137722 104078128 CHEMBL3931947 ZINC35065301 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50521997 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(O)=O InChI=1S/C128H203N43O29S2/c1-68(2)57-89(161-116(193)96(65-174)168-120(197)100(132)69(3)4)109(186)167-95(64-173)115(192)163-90(59-71-34-41-77(175)42-35-71)110(187)158-85(30-18-54-150-127(141)142)107(184)166-94(63-172)114(191)152-70(5)101(178)145-49-13-10-26-88(122(199)200)160-117(194)97-66-201-202-67-98(170-113(190)93(62-74-33-40-75-21-6-7-22-76(75)58-74)162-106(183)82(27-15-51-147-124(135)136)153-102(179)80(131)23-14-50-146-123(133)134)118(195)164-91(60-72-36-43-78(176)44-37-72)111(188)156-83(28-16-52-148-125(137)138)103(180)154-81(24-8-11-47-129)105(182)159-87(25-9-12-48-130)121(198)171-56-20-32-99(171)119(196)165-92(61-73-38-45-79(177)46-39-73)112(189)157-84(29-17-53-149-126(139)140)104(181)155-86(108(185)169-97)31-19-55-151-128(143)144/h6-7,21-22,33-46,58,68-70,80-100,172-177H,8-20,23-32,47-57,59-67,129-132H2,1-5H3,(H,145,178)(H,152,191)(H,153,179)(H,154,180)(H,155,181)(H,156,188)(H,157,189)(H,158,187)(H,159,182)(H,160,194)(H,161,193)(H,162,183)(H,163,192)(H,164,195)(H,165,196)(H,166,184)(H,167,186)(H,168,197)(H,169,185)(H,170,190)(H,199,200)(H4,133,134,146)(H4,135,136,147)(H4,137,138,148)(H4,139,140,149)(H4,141,142,150)(H4,143,144,151)/t70-,80-,81-,82-,83-,84-,85-,86-,87+,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-/m0/s1 WSJPIGJXFFDMLH-NMBLJDLTSA-N 50196254 CHEMBL3954553 C-X-C chemokine receptor type 4 95 ChEMBL 10.1021/acs.jmedchem.6b00566 10.7270/Q2MP5576 27434274 Mona, CE; Besserer-Offroy, É; Cabana, J; Lefrançois, M; Boulais, PE; Lefebvre, MR; Leduc, R; Lavigne, P; Heveker, N; Marsault, É; Escher, E Universit£ de Sherbrooke http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196254 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196254&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 134143738 104078129 CHEMBL3954553 ZINC35065325 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50521998 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(cc1)C(=O)c1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(O)=O InChI=1S/C146H226N46O31S2/c1-80(2)69-103(180-132(214)110(77-195)187-137(219)115(81(3)4)190-136(218)114-42-25-67-191(114)138(220)94(151)31-11-15-57-147)125(207)186-109(76-194)131(213)182-104(71-83-43-51-89(52-44-83)116(198)88-28-7-6-8-29-88)126(208)177-99(39-23-65-169-145(160)161)123(205)185-108(75-193)130(212)171-82(5)117(199)164-60-18-14-35-102(140(222)223)179-133(215)111-78-224-225-79-112(189-129(211)107(74-86-45-50-87-27-9-10-30-90(87)70-86)181-122(204)96(36-20-62-166-142(154)155)172-118(200)93(150)32-19-61-165-141(152)153)134(216)183-105(72-84-46-53-91(196)54-47-84)127(209)175-97(37-21-63-167-143(156)157)119(201)173-95(33-12-16-58-148)121(203)178-101(34-13-17-59-149)139(221)192-68-26-41-113(192)135(217)184-106(73-85-48-55-92(197)56-49-85)128(210)176-98(38-22-64-168-144(158)159)120(202)174-100(124(206)188-111)40-24-66-170-146(162)163/h6-10,27-30,43-56,70,80-82,93-115,193-197H,11-26,31-42,57-69,71-79,147-151H2,1-5H3,(H,164,199)(H,171,212)(H,172,200)(H,173,201)(H,174,202)(H,175,209)(H,176,210)(H,177,208)(H,178,203)(H,179,215)(H,180,214)(H,181,204)(H,182,213)(H,183,216)(H,184,217)(H,185,205)(H,186,207)(H,187,219)(H,188,206)(H,189,211)(H,190,218)(H,222,223)(H4,152,153,165)(H4,154,155,166)(H4,156,157,167)(H4,158,159,168)(H4,160,161,169)(H4,162,163,170)/t82-,93-,94-,95-,96-,97-,98-,99-,100-,101+,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-/m0/s1 KXNQBQFEYJSJJO-SAMKPQGKSA-N 50196255 CHEMBL3955461 C-X-C chemokine receptor type 4 76 ChEMBL 10.1021/acs.jmedchem.6b00566 10.7270/Q2MP5576 27434274 Mona, CE; Besserer-Offroy, É; Cabana, J; Lefrançois, M; Boulais, PE; Lefebvre, MR; Leduc, R; Lavigne, P; Heveker, N; Marsault, É; Escher, E Universit£ de Sherbrooke http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196255 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196255&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 134144151 104078130 CHEMBL3955461 ZINC35065323 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50521999 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(O)=O InChI=1S/C139H221IN46O30S2/c1-75(2)64-97(174-125(207)104(72-189)181-130(212)109(76(3)4)184-129(211)108-37-22-62-185(108)131(213)88(145)26-8-12-52-141)118(200)180-103(71-188)124(206)176-98(66-78-39-46-84(140)47-40-78)119(201)171-93(34-20-60-163-138(154)155)116(198)179-102(70-187)123(205)165-77(5)110(192)158-55-15-11-30-96(133(215)216)173-126(208)105-73-217-218-74-106(183-122(204)101(69-81-38-45-82-24-6-7-25-83(82)65-81)175-115(197)90(31-17-57-160-135(148)149)166-111(193)87(144)27-16-56-159-134(146)147)127(209)177-99(67-79-41-48-85(190)49-42-79)120(202)169-91(32-18-58-161-136(150)151)112(194)167-89(28-9-13-53-142)114(196)172-95(29-10-14-54-143)132(214)186-63-23-36-107(186)128(210)178-100(68-80-43-50-86(191)51-44-80)121(203)170-92(33-19-59-162-137(152)153)113(195)168-94(117(199)182-105)35-21-61-164-139(156)157/h6-7,24-25,38-51,65,75-77,87-109,187-191H,8-23,26-37,52-64,66-74,141-145H2,1-5H3,(H,158,192)(H,165,205)(H,166,193)(H,167,194)(H,168,195)(H,169,202)(H,170,203)(H,171,201)(H,172,196)(H,173,208)(H,174,207)(H,175,197)(H,176,206)(H,177,209)(H,178,210)(H,179,198)(H,180,200)(H,181,212)(H,182,199)(H,183,204)(H,184,211)(H,215,216)(H4,146,147,159)(H4,148,149,160)(H4,150,151,161)(H4,152,153,162)(H4,154,155,163)(H4,156,157,164)/t77-,87-,88-,89-,90-,91-,92-,93-,94-,95+,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-/m0/s1 PRXAQWSMEGHPTG-ZNJXPDDDSA-N 50196256 CHEMBL3970509 C-X-C chemokine receptor type 4 94 ChEMBL 10.1021/acs.jmedchem.6b00566 10.7270/Q2MP5576 27434274 Mona, CE; Besserer-Offroy, É; Cabana, J; Lefrançois, M; Boulais, PE; Lefebvre, MR; Leduc, R; Lavigne, P; Heveker, N; Marsault, É; Escher, E Universit£ de Sherbrooke http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196256 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196256&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 134154190 375977335 CHEMBL3970509 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50522000 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(cc1)C(=O)c1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(O)=O InChI=1S/C150H226N46O32S2/c1-83(2)71-107(184-136(219)114(79-198)192-133(216)111(73-85-41-51-92(52-42-85)120(203)91-26-5-4-6-27-91)189-140(223)118-39-23-69-195(118)142(225)98(155)29-9-13-59-151)129(212)191-115(80-199)137(220)186-108(74-86-44-53-94(200)54-45-86)130(213)181-103(37-21-67-173-149(164)165)127(210)190-113(78-197)135(218)175-84(3)121(204)168-62-16-12-33-106(144(227)228)183-138(221)116-81-229-230-82-117(194-134(217)112(77-89-43-50-90-25-7-8-28-93(90)72-89)185-126(209)100(34-18-64-170-146(158)159)176-122(205)97(154)30-17-63-169-145(156)157)139(222)187-109(75-87-46-55-95(201)56-47-87)131(214)179-101(35-19-65-171-147(160)161)123(206)177-99(31-10-14-60-152)125(208)182-105(32-11-15-61-153)143(226)196-70-24-40-119(196)141(224)188-110(76-88-48-57-96(202)58-49-88)132(215)180-102(36-20-66-172-148(162)163)124(207)178-104(128(211)193-116)38-22-68-174-150(166)167/h4-8,25-28,41-58,72,83-84,97-119,197-202H,9-24,29-40,59-71,73-82,151-155H2,1-3H3,(H,168,204)(H,175,218)(H,176,205)(H,177,206)(H,178,207)(H,179,214)(H,180,215)(H,181,213)(H,182,208)(H,183,221)(H,184,219)(H,185,209)(H,186,220)(H,187,222)(H,188,224)(H,189,223)(H,190,210)(H,191,212)(H,192,216)(H,193,211)(H,194,217)(H,227,228)(H4,156,157,169)(H4,158,159,170)(H4,160,161,171)(H4,162,163,172)(H4,164,165,173)(H4,166,167,174)/t84-,97-,98-,99-,100-,101-,102-,103-,104-,105+,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-/m0/s1 KHXYEBAJANIBOD-NZUOYBOMSA-N 50196257 CHEMBL3903301 C-X-C chemokine receptor type 4 52 ChEMBL 10.1021/acs.jmedchem.6b00566 10.7270/Q2MP5576 27434274 Mona, CE; Besserer-Offroy, É; Cabana, J; Lefrançois, M; Boulais, PE; Lefebvre, MR; Leduc, R; Lavigne, P; Heveker, N; Marsault, É; Escher, E Universit£ de Sherbrooke http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196257 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196257&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 134135423 104078131 CHEMBL3903301 ZINC35065337 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50522001 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(O)=O InChI=1S/C146H228N46O31S2/c1-81(2)69-104(180-132(213)111(77-195)187-137(218)116(82(3)4)190-136(217)115-42-25-67-191(115)138(219)95(151)31-11-15-57-147)125(206)186-110(76-194)131(212)182-105(73-86-48-55-93(56-49-86)223-78-87-27-7-6-8-28-87)126(207)177-100(39-23-65-169-145(160)161)123(204)185-109(75-193)130(211)171-83(5)117(198)164-60-18-14-35-103(140(221)222)179-133(214)112-79-224-225-80-113(189-129(210)108(74-88-43-50-89-29-9-10-30-90(89)70-88)181-122(203)97(36-20-62-166-142(154)155)172-118(199)94(150)32-19-61-165-141(152)153)134(215)183-106(71-84-44-51-91(196)52-45-84)127(208)175-98(37-21-63-167-143(156)157)119(200)173-96(33-12-16-58-148)121(202)178-102(34-13-17-59-149)139(220)192-68-26-41-114(192)135(216)184-107(72-85-46-53-92(197)54-47-85)128(209)176-99(38-22-64-168-144(158)159)120(201)174-101(124(205)188-112)40-24-66-170-146(162)163/h6-10,27-30,43-56,70,81-83,94-116,193-197H,11-26,31-42,57-69,71-80,147-151H2,1-5H3,(H,164,198)(H,171,211)(H,172,199)(H,173,200)(H,174,201)(H,175,208)(H,176,209)(H,177,207)(H,178,202)(H,179,214)(H,180,213)(H,181,203)(H,182,212)(H,183,215)(H,184,216)(H,185,204)(H,186,206)(H,187,218)(H,188,205)(H,189,210)(H,190,217)(H,221,222)(H4,152,153,165)(H4,154,155,166)(H4,156,157,167)(H4,158,159,168)(H4,160,161,169)(H4,162,163,170)/t83-,94-,95-,96-,97-,98-,99-,100-,101-,102+,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-/m0/s1 PCQZEGOCTBASAK-YTQAEOJRSA-N 50196258 CHEMBL3924080 C-X-C chemokine receptor type 4 138 ChEMBL 10.1021/acs.jmedchem.6b00566 10.7270/Q2MP5576 27434274 Mona, CE; Besserer-Offroy, É; Cabana, J; Lefrançois, M; Boulais, PE; Lefebvre, MR; Leduc, R; Lavigne, P; Heveker, N; Marsault, É; Escher, E Universit£ de Sherbrooke http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196258 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196258&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 134140767 375977336 CHEMBL3924080 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50522002 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(O)=O 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XCGYZAWADCLFLH-KIXWGVOCSA-N 50196259 CHEMBL3922941 C-X-C chemokine receptor type 4 353 ChEMBL 10.1021/acs.jmedchem.6b00566 10.7270/Q2MP5576 27434274 Mona, CE; Besserer-Offroy, É; Cabana, J; Lefrançois, M; Boulais, PE; Lefebvre, MR; Leduc, R; Lavigne, P; Heveker, N; Marsault, É; Escher, E Universit£ de Sherbrooke http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196259 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196259&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 134139921 375977337 CHEMBL3922941 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50522003 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(O)=O 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MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50522004 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(O)=O 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CLDLWMQUYGCIBE-JFYDPXMHSA-N 50196260 CHEMBL3914095 C-X-C chemokine receptor type 4 300 ChEMBL 10.1021/acs.jmedchem.6b00566 10.7270/Q2MP5576 27434274 Mona, CE; Besserer-Offroy, É; Cabana, J; Lefrançois, M; Boulais, PE; Lefebvre, MR; Leduc, R; Lavigne, P; Heveker, N; Marsault, É; Escher, E Universit£ de Sherbrooke http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196260 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196260&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 134142550 375977338 CHEMBL3914095 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50522005 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cc2cccc3ccc4cccc1c4c23)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(O)=O 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XFDFQKSAVVZKRK-FURIBFRVSA-N 50196261 CHEMBL3959440 C-X-C chemokine receptor type 4 74 ChEMBL 10.1021/acs.jmedchem.6b00566 10.7270/Q2MP5576 27434274 Mona, CE; Besserer-Offroy, É; Cabana, J; Lefrançois, M; Boulais, PE; Lefebvre, MR; Leduc, R; Lavigne, P; Heveker, N; Marsault, É; Escher, E Universit£ de Sherbrooke http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196261 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196261&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 134155140 375977339 CHEMBL3959440 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50522006 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(O)=O InChI=1S/C139H222N46O30S2/c1-76(2)65-97(173-125(206)104(73-188)180-130(211)109(77(3)4)183-129(210)108-42-25-63-184(108)131(212)88(144)31-11-15-53-140)118(199)179-103(72-187)124(205)175-98(67-79-27-7-6-8-28-79)119(200)170-93(39-23-61-162-138(153)154)116(197)178-102(71-186)123(204)164-78(5)110(191)157-56-18-14-35-96(133(214)215)172-126(207)105-74-216-217-75-106(182-122(203)101(70-82-43-48-83-29-9-10-30-84(83)66-82)174-115(196)90(36-20-58-159-135(147)148)165-111(192)87(143)32-19-57-158-134(145)146)127(208)176-99(68-80-44-49-85(189)50-45-80)120(201)168-91(37-21-59-160-136(149)150)112(193)166-89(33-12-16-54-141)114(195)171-95(34-13-17-55-142)132(213)185-64-26-41-107(185)128(209)177-100(69-81-46-51-86(190)52-47-81)121(202)169-92(38-22-60-161-137(151)152)113(194)167-94(117(198)181-105)40-24-62-163-139(155)156/h6-10,27-30,43-52,66,76-78,87-109,186-190H,11-26,31-42,53-65,67-75,140-144H2,1-5H3,(H,157,191)(H,164,204)(H,165,192)(H,166,193)(H,167,194)(H,168,201)(H,169,202)(H,170,200)(H,171,195)(H,172,207)(H,173,206)(H,174,196)(H,175,205)(H,176,208)(H,177,209)(H,178,197)(H,179,199)(H,180,211)(H,181,198)(H,182,203)(H,183,210)(H,214,215)(H4,145,146,158)(H4,147,148,159)(H4,149,150,160)(H4,151,152,161)(H4,153,154,162)(H4,155,156,163)/t78-,87-,88-,89-,90-,91-,92-,93-,94-,95+,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-/m0/s1 PUSXVUWZMIWFFS-FPYWRQJYSA-N 50196262 CHEMBL3978794 C-X-C chemokine receptor type 4 69 ChEMBL 10.1021/acs.jmedchem.6b00566 10.7270/Q2MP5576 27434274 Mona, CE; Besserer-Offroy, É; Cabana, J; Lefrançois, M; Boulais, PE; Lefebvre, MR; Leduc, R; Lavigne, P; Heveker, N; Marsault, É; Escher, E Universit£ de Sherbrooke http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196262 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196262&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 134151621 104078132 CHEMBL3978794 ZINC35065303 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50522007 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(O)=O InChI=1S/C139H221FN46O30S2/c1-75(2)64-97(174-125(207)104(72-189)181-130(212)109(76(3)4)184-129(211)108-37-22-62-185(108)131(213)88(145)26-8-12-52-141)118(200)180-103(71-188)124(206)176-98(66-78-39-46-84(140)47-40-78)119(201)171-93(34-20-60-163-138(154)155)116(198)179-102(70-187)123(205)165-77(5)110(192)158-55-15-11-30-96(133(215)216)173-126(208)105-73-217-218-74-106(183-122(204)101(69-81-38-45-82-24-6-7-25-83(82)65-81)175-115(197)90(31-17-57-160-135(148)149)166-111(193)87(144)27-16-56-159-134(146)147)127(209)177-99(67-79-41-48-85(190)49-42-79)120(202)169-91(32-18-58-161-136(150)151)112(194)167-89(28-9-13-53-142)114(196)172-95(29-10-14-54-143)132(214)186-63-23-36-107(186)128(210)178-100(68-80-43-50-86(191)51-44-80)121(203)170-92(33-19-59-162-137(152)153)113(195)168-94(117(199)182-105)35-21-61-164-139(156)157/h6-7,24-25,38-51,65,75-77,87-109,187-191H,8-23,26-37,52-64,66-74,141-145H2,1-5H3,(H,158,192)(H,165,205)(H,166,193)(H,167,194)(H,168,195)(H,169,202)(H,170,203)(H,171,201)(H,172,196)(H,173,208)(H,174,207)(H,175,197)(H,176,206)(H,177,209)(H,178,210)(H,179,198)(H,180,200)(H,181,212)(H,182,199)(H,183,204)(H,184,211)(H,215,216)(H4,146,147,159)(H4,148,149,160)(H4,150,151,161)(H4,152,153,162)(H4,154,155,163)(H4,156,157,164)/t77-,87-,88-,89-,90-,91-,92-,93-,94-,95+,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-/m0/s1 QPIOZLDXNYNMCK-ZNJXPDDDSA-N 50196242 CHEMBL3940962 C-X-C chemokine receptor type 4 78 ChEMBL 10.1021/acs.jmedchem.6b00566 10.7270/Q2MP5576 27434274 Mona, CE; Besserer-Offroy, É; Cabana, J; Lefrançois, M; Boulais, PE; Lefebvre, MR; Leduc, R; Lavigne, P; Heveker, N; Marsault, É; Escher, E Universit£ de Sherbrooke http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196242 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196242&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 134145451 104078118 CHEMBL3940962 ZINC35065250 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50522008 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cc2cccc3ccc4cccc1c4c23)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(O)=O InChI=1S/C153H226N46O31S2/c1-83(2)70-109(187-139(221)116(79-201)195-137(219)114(192-143(225)120-40-22-68-198(120)145(227)100(158)30-6-10-58-154)77-94-76-93-28-14-26-90-50-51-91-27-15-29-98(94)123(91)122(90)93)132(214)194-117(80-202)140(222)189-110(72-85-43-52-95(203)53-44-85)133(215)184-105(38-20-66-176-152(167)168)130(212)193-115(78-200)138(220)178-84(3)124(206)171-61-13-9-34-108(147(229)230)186-141(223)118-81-231-232-82-119(197-136(218)113(75-88-42-49-89-24-4-5-25-92(89)71-88)188-129(211)102(35-17-63-173-149(161)162)179-125(207)99(157)31-16-62-172-148(159)160)142(224)190-111(73-86-45-54-96(204)55-46-86)134(216)182-103(36-18-64-174-150(163)164)126(208)180-101(32-7-11-59-155)128(210)185-107(33-8-12-60-156)146(228)199-69-23-41-121(199)144(226)191-112(74-87-47-56-97(205)57-48-87)135(217)183-104(37-19-65-175-151(165)166)127(209)181-106(131(213)196-118)39-21-67-177-153(169)170/h4-5,14-15,24-29,42-57,71,76,83-84,99-121,200-205H,6-13,16-23,30-41,58-70,72-75,77-82,154-158H2,1-3H3,(H,171,206)(H,178,220)(H,179,207)(H,180,208)(H,181,209)(H,182,216)(H,183,217)(H,184,215)(H,185,210)(H,186,223)(H,187,221)(H,188,211)(H,189,222)(H,190,224)(H,191,226)(H,192,225)(H,193,212)(H,194,214)(H,195,219)(H,196,213)(H,197,218)(H,229,230)(H4,159,160,172)(H4,161,162,173)(H4,163,164,174)(H4,165,166,175)(H4,167,168,176)(H4,169,170,177)/t84-,99-,100-,101-,102-,103-,104-,105-,106-,107+,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-/m0/s1 XFDFQKSAVVZKRK-FURIBFRVSA-N 50196261 CHEMBL3959440 C-X-C chemokine receptor type 4 90 ChEMBL 10.1021/acs.jmedchem.6b00566 10.7270/Q2MP5576 27434274 Mona, CE; Besserer-Offroy, É; Cabana, J; Lefrançois, M; Boulais, PE; Lefebvre, MR; Leduc, R; Lavigne, P; Heveker, N; Marsault, É; Escher, E Universit£ de Sherbrooke http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196261 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196261&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 134155140 375977339 CHEMBL3959440 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50522009 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(cc1)C(=O)c1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(O)=O InChI=1S/C150H226N46O32S2/c1-83(2)71-107(184-136(219)114(79-198)192-133(216)111(73-85-41-51-92(52-42-85)120(203)91-26-5-4-6-27-91)189-140(223)118-39-23-69-195(118)142(225)98(155)29-9-13-59-151)129(212)191-115(80-199)137(220)186-108(74-86-44-53-94(200)54-45-86)130(213)181-103(37-21-67-173-149(164)165)127(210)190-113(78-197)135(218)175-84(3)121(204)168-62-16-12-33-106(144(227)228)183-138(221)116-81-229-230-82-117(194-134(217)112(77-89-43-50-90-25-7-8-28-93(90)72-89)185-126(209)100(34-18-64-170-146(158)159)176-122(205)97(154)30-17-63-169-145(156)157)139(222)187-109(75-87-46-55-95(201)56-47-87)131(214)179-101(35-19-65-171-147(160)161)123(206)177-99(31-10-14-60-152)125(208)182-105(32-11-15-61-153)143(226)196-70-24-40-119(196)141(224)188-110(76-88-48-57-96(202)58-49-88)132(215)180-102(36-20-66-172-148(162)163)124(207)178-104(128(211)193-116)38-22-68-174-150(166)167/h4-8,25-28,41-58,72,83-84,97-119,197-202H,9-24,29-40,59-71,73-82,151-155H2,1-3H3,(H,168,204)(H,175,218)(H,176,205)(H,177,206)(H,178,207)(H,179,214)(H,180,215)(H,181,213)(H,182,208)(H,183,221)(H,184,219)(H,185,209)(H,186,220)(H,187,222)(H,188,224)(H,189,223)(H,190,210)(H,191,212)(H,192,216)(H,193,211)(H,194,217)(H,227,228)(H4,156,157,169)(H4,158,159,170)(H4,160,161,171)(H4,162,163,172)(H4,164,165,173)(H4,166,167,174)/t84-,97-,98-,99-,100-,101-,102-,103-,104-,105+,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-/m0/s1 KHXYEBAJANIBOD-NZUOYBOMSA-N 50196257 CHEMBL3903301 C-X-C chemokine receptor type 4 59 ChEMBL 10.1021/acs.jmedchem.6b00566 10.7270/Q2MP5576 27434274 Mona, CE; Besserer-Offroy, É; Cabana, J; Lefrançois, M; Boulais, PE; Lefebvre, MR; Leduc, R; Lavigne, P; Heveker, N; Marsault, É; Escher, E Universit£ de Sherbrooke http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196257 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196257&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 134135423 104078131 CHEMBL3903301 ZINC35065337 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50522010 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(O)=O InChI=1S/C147H224N46O31S2/c1-81(2)68-105(181-133(215)112(77-195)189-130(212)110(75-87-41-49-89-25-5-7-27-91(89)70-87)186-137(219)116-38-22-66-192(116)139(221)96(152)28-8-12-56-148)126(208)188-113(78-196)134(216)183-106(71-83-42-50-92(197)51-43-83)127(209)178-101(36-20-64-170-146(161)162)124(206)187-111(76-194)132(214)172-82(3)118(200)165-59-15-11-32-104(141(223)224)180-135(217)114-79-225-226-80-115(191-131(213)109(74-86-40-48-88-24-4-6-26-90(88)69-86)182-123(205)98(33-17-61-167-143(155)156)173-119(201)95(151)29-16-60-166-142(153)154)136(218)184-107(72-84-44-52-93(198)53-45-84)128(210)176-99(34-18-62-168-144(157)158)120(202)174-97(30-9-13-57-149)122(204)179-103(31-10-14-58-150)140(222)193-67-23-39-117(193)138(220)185-108(73-85-46-54-94(199)55-47-85)129(211)177-100(35-19-63-169-145(159)160)121(203)175-102(125(207)190-114)37-21-65-171-147(163)164/h4-7,24-27,40-55,69-70,81-82,95-117,194-199H,8-23,28-39,56-68,71-80,148-152H2,1-3H3,(H,165,200)(H,172,214)(H,173,201)(H,174,202)(H,175,203)(H,176,210)(H,177,211)(H,178,209)(H,179,204)(H,180,217)(H,181,215)(H,182,205)(H,183,216)(H,184,218)(H,185,220)(H,186,219)(H,187,206)(H,188,208)(H,189,212)(H,190,207)(H,191,213)(H,223,224)(H4,153,154,166)(H4,155,156,167)(H4,157,158,168)(H4,159,160,169)(H4,161,162,170)(H4,163,164,171)/t82-,95-,96-,97-,98-,99-,100-,101-,102-,103+,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-/m0/s1 JPDRWIFETVDWOH-PMWIVKDASA-N 50196263 CHEMBL3974242 C-X-C chemokine receptor type 4 64 ChEMBL 10.1021/acs.jmedchem.6b00566 10.7270/Q2MP5576 27434274 Mona, CE; Besserer-Offroy, É; Cabana, J; Lefrançois, M; Boulais, PE; Lefebvre, MR; Leduc, R; Lavigne, P; Heveker, N; Marsault, É; Escher, E Universit£ de Sherbrooke http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196263 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196263&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 134153941 104078133 CHEMBL3974242 ZINC35065327 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50522011 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(O)=O InChI=1S/C140H224N46O31S2/c1-76(2)65-98(174-126(208)105(73-189)181-130(212)110(77(3)4)184(6)133(215)109-38-24-64-186(109)131(213)89(145)27-9-13-53-141)119(201)180-104(72-188)125(207)176-99(67-79-40-47-85(190)48-41-79)120(202)171-94(35-21-61-163-139(154)155)117(199)179-103(71-187)124(206)165-78(5)111(193)158-56-16-12-31-97(134(216)217)173-127(209)106-74-218-219-75-107(183-123(205)102(70-82-39-46-83-25-7-8-26-84(83)66-82)175-116(198)91(32-18-58-160-136(148)149)166-112(194)88(144)28-17-57-159-135(146)147)128(210)177-100(68-80-42-49-86(191)50-43-80)121(203)169-92(33-19-59-161-137(150)151)113(195)167-90(29-10-14-54-142)115(197)172-96(30-11-15-55-143)132(214)185-63-23-37-108(185)129(211)178-101(69-81-44-51-87(192)52-45-81)122(204)170-93(34-20-60-162-138(152)153)114(196)168-95(118(200)182-106)36-22-62-164-140(156)157/h7-8,25-26,39-52,66,76-78,88-110,187-192H,9-24,27-38,53-65,67-75,141-145H2,1-6H3,(H,158,193)(H,165,206)(H,166,194)(H,167,195)(H,168,196)(H,169,203)(H,170,204)(H,171,202)(H,172,197)(H,173,209)(H,174,208)(H,175,198)(H,176,207)(H,177,210)(H,178,211)(H,179,199)(H,180,201)(H,181,212)(H,182,200)(H,183,205)(H,216,217)(H4,146,147,159)(H4,148,149,160)(H4,150,151,161)(H4,152,153,162)(H4,154,155,163)(H4,156,157,164)/t78-,88-,89-,90-,91-,92-,93-,94-,95-,96+,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-/m0/s1 OCXADRAOSVWAKR-QHEUAXHBSA-N 50196264 CHEMBL3983197 C-X-C chemokine receptor type 4 127 ChEMBL 10.1021/acs.jmedchem.6b00566 10.7270/Q2MP5576 27434274 Mona, CE; Besserer-Offroy, É; Cabana, J; Lefrançois, M; Boulais, PE; Lefebvre, MR; Leduc, R; Lavigne, P; Heveker, N; Marsault, É; Escher, E Universit£ de Sherbrooke http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196264 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196264&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 134156666 375977340 CHEMBL3983197 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50522012 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(O)=O InChI=1S/C144H224N46O31S2/c1-78(2)65-102(178-130(212)109(75-193)185-135(217)114(79(3)4)188-134(216)113-71-87-27-8-9-28-88(87)72-190(113)136(218)93(149)29-10-14-54-145)123(205)184-108(74-192)129(211)180-103(67-81-41-48-89(194)49-42-81)124(206)175-98(37-22-62-167-143(158)159)121(203)183-107(73-191)128(210)169-80(5)115(197)162-57-17-13-33-101(138(220)221)177-131(213)110-76-222-223-77-111(187-127(209)106(70-84-40-47-85-25-6-7-26-86(85)66-84)179-120(202)95(34-19-59-164-140(152)153)170-116(198)92(148)30-18-58-163-139(150)151)132(214)181-104(68-82-43-50-90(195)51-44-82)125(207)173-96(35-20-60-165-141(154)155)117(199)171-94(31-11-15-55-146)119(201)176-100(32-12-16-56-147)137(219)189-64-24-39-112(189)133(215)182-105(69-83-45-52-91(196)53-46-83)126(208)174-97(36-21-61-166-142(156)157)118(200)172-99(122(204)186-110)38-23-63-168-144(160)161/h6-9,25-28,40-53,66,78-80,92-114,191-196H,10-24,29-39,54-65,67-77,145-149H2,1-5H3,(H,162,197)(H,169,210)(H,170,198)(H,171,199)(H,172,200)(H,173,207)(H,174,208)(H,175,206)(H,176,201)(H,177,213)(H,178,212)(H,179,202)(H,180,211)(H,181,214)(H,182,215)(H,183,203)(H,184,205)(H,185,217)(H,186,204)(H,187,209)(H,188,216)(H,220,221)(H4,150,151,163)(H4,152,153,164)(H4,154,155,165)(H4,156,157,166)(H4,158,159,167)(H4,160,161,168)/t80-,92-,93-,94-,95-,96-,97-,98-,99-,100+,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-/m0/s1 XYWFSKXROQDLES-VYPTXPBLSA-N 50196265 CHEMBL3894327 C-X-C chemokine receptor type 4 222 ChEMBL 10.1021/acs.jmedchem.6b00566 10.7270/Q2MP5576 27434274 Mona, CE; Besserer-Offroy, É; Cabana, J; Lefrançois, M; Boulais, PE; Lefebvre, MR; Leduc, R; Lavigne, P; Heveker, N; Marsault, É; Escher, E Universit£ de Sherbrooke http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196265 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196265&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 134137235 104078134 CHEMBL3894327 ZINC35065321 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50522013 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(O)=O InChI=1S/C133H210N44O30S2/c1-71(2)60-93(166-121(200)100(68-180)173-125(204)104(72(3)4)176-107(186)84-28-15-52-149-84)114(193)172-99(67-179)120(199)168-94(62-74-36-43-80(181)44-37-74)115(194)163-89(32-19-57-155-132(145)146)112(191)171-98(66-178)119(198)157-73(5)105(184)150-51-13-10-27-92(127(206)207)165-122(201)101-69-208-209-70-102(175-118(197)97(65-77-35-42-78-22-6-7-23-79(78)61-77)167-111(190)86(29-16-54-152-129(139)140)158-106(185)83(136)24-14-53-151-128(137)138)123(202)169-95(63-75-38-45-81(182)46-39-75)116(195)161-87(30-17-55-153-130(141)142)108(187)159-85(25-8-11-49-134)110(189)164-91(26-9-12-50-135)126(205)177-59-21-34-103(177)124(203)170-96(64-76-40-47-82(183)48-41-76)117(196)162-88(31-18-56-154-131(143)144)109(188)160-90(113(192)174-101)33-20-58-156-133(147)148/h6-7,22-23,35-48,61,71-73,83-104,149,178-183H,8-21,24-34,49-60,62-70,134-136H2,1-5H3,(H,150,184)(H,157,198)(H,158,185)(H,159,187)(H,160,188)(H,161,195)(H,162,196)(H,163,194)(H,164,189)(H,165,201)(H,166,200)(H,167,190)(H,168,199)(H,169,202)(H,170,203)(H,171,191)(H,172,193)(H,173,204)(H,174,192)(H,175,197)(H,176,186)(H,206,207)(H4,137,138,151)(H4,139,140,152)(H4,141,142,153)(H4,143,144,154)(H4,145,146,155)(H4,147,148,156)/t73-,83-,84-,85-,86-,87-,88-,89-,90-,91+,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-/m0/s1 RKIAPKACLXKZAG-LQBCZYGNSA-N 50196266 CHEMBL3959529 C-X-C chemokine receptor type 4 548 ChEMBL 10.1021/acs.jmedchem.6b00566 10.7270/Q2MP5576 27434274 Mona, CE; Besserer-Offroy, É; Cabana, J; Lefrançois, M; Boulais, PE; Lefebvre, MR; Leduc, R; Lavigne, P; Heveker, N; Marsault, É; Escher, E Universit£ de Sherbrooke http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196266 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196266&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 134155143 375977341 CHEMBL3959529 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50522014 CCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC(CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(O)=O 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BYWKJETXRNGNIZ-BLKPYLRLSA-N 50196267 CHEMBL3923084 C-X-C chemokine receptor type 4 267 ChEMBL 10.1021/acs.jmedchem.6b00566 10.7270/Q2MP5576 27434274 Mona, CE; Besserer-Offroy, É; Cabana, J; Lefrançois, M; Boulais, PE; Lefebvre, MR; Leduc, R; Lavigne, P; Heveker, N; Marsault, É; Escher, E Universit£ de Sherbrooke http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196267 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196267&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 134139204 375977342 CHEMBL3923084 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50522015 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(O)=O InChI=1S/C136H215N45O31S2/c1-72(2)61-94(169-122(203)101(69-184)176-127(208)106(73(3)4)179-126(207)105-35-21-59-180(105)128(209)74(5)139)115(196)175-100(68-183)121(202)171-95(63-76-37-44-82(185)45-38-76)116(197)166-90(32-19-57-158-135(149)150)113(194)174-99(67-182)120(201)160-75(6)107(188)153-52-14-11-28-93(130(211)212)168-123(204)102-70-213-214-71-103(178-119(200)98(66-79-36-43-80-23-7-8-24-81(80)62-79)170-112(193)87(29-16-54-155-132(143)144)161-108(189)85(140)25-15-53-154-131(141)142)124(205)172-96(64-77-39-46-83(186)47-40-77)117(198)164-88(30-17-55-156-133(145)146)109(190)162-86(26-9-12-50-137)111(192)167-92(27-10-13-51-138)129(210)181-60-22-34-104(181)125(206)173-97(65-78-41-48-84(187)49-42-78)118(199)165-89(31-18-56-157-134(147)148)110(191)163-91(114(195)177-102)33-20-58-159-136(151)152/h7-8,23-24,36-49,62,72-75,85-106,182-187H,9-22,25-35,50-61,63-71,137-140H2,1-6H3,(H,153,188)(H,160,201)(H,161,189)(H,162,190)(H,163,191)(H,164,198)(H,165,199)(H,166,197)(H,167,192)(H,168,204)(H,169,203)(H,170,193)(H,171,202)(H,172,205)(H,173,206)(H,174,194)(H,175,196)(H,176,208)(H,177,195)(H,178,200)(H,179,207)(H,211,212)(H4,141,142,154)(H4,143,144,155)(H4,145,146,156)(H4,147,148,157)(H4,149,150,158)(H4,151,152,159)/t74-,75-,85-,86-,87-,88-,89-,90-,91-,92+,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-/m0/s1 OLCVCZPSYJEFEC-OUSUBXMNSA-N 50196268 CHEMBL3894964 C-X-C chemokine receptor type 4 282 ChEMBL 10.1021/acs.jmedchem.6b00566 10.7270/Q2MP5576 27434274 Mona, CE; Besserer-Offroy, É; Cabana, J; Lefrançois, M; Boulais, PE; Lefebvre, MR; Leduc, R; Lavigne, P; Heveker, N; Marsault, É; Escher, E Universit£ de Sherbrooke http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196268 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196268&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 134136499 104078135 CHEMBL3894964 ZINC35065313 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50522016 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(O)=O InChI=1S/C139H222N46O31S2/c1-75(2)64-97(173-125(207)104(72-188)180-130(212)109(76(3)4)183-129(211)108-37-22-62-184(108)131(213)88(144)26-8-12-52-140)118(200)179-103(71-187)124(206)175-98(66-78-39-46-84(189)47-40-78)119(201)170-93(34-20-60-162-138(153)154)116(198)178-102(70-186)123(205)164-77(5)110(192)157-55-15-11-30-96(133(215)216)172-126(208)105-73-217-218-74-106(182-122(204)101(69-81-38-45-82-24-6-7-25-83(82)65-81)174-115(197)90(31-17-57-159-135(147)148)165-111(193)87(143)27-16-56-158-134(145)146)127(209)176-99(67-79-41-48-85(190)49-42-79)120(202)168-91(32-18-58-160-136(149)150)112(194)166-89(28-9-13-53-141)114(196)171-95(29-10-14-54-142)132(214)185-63-23-36-107(185)128(210)177-100(68-80-43-50-86(191)51-44-80)121(203)169-92(33-19-59-161-137(151)152)113(195)167-94(117(199)181-105)35-21-61-163-139(155)156/h6-7,24-25,38-51,65,75-77,87-109,186-191H,8-23,26-37,52-64,66-74,140-144H2,1-5H3,(H,157,192)(H,164,205)(H,165,193)(H,166,194)(H,167,195)(H,168,202)(H,169,203)(H,170,201)(H,171,196)(H,172,208)(H,173,207)(H,174,197)(H,175,206)(H,176,209)(H,177,210)(H,178,198)(H,179,200)(H,180,212)(H,181,199)(H,182,204)(H,183,211)(H,215,216)(H4,145,146,158)(H4,147,148,159)(H4,149,150,160)(H4,151,152,161)(H4,153,154,162)(H4,155,156,163)/t77-,87-,88-,89-,90-,91-,92-,93-,94-,95+,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-/m0/s1 IRZLWZCLWVZBHE-ZNJXPDDDSA-N 50196269 CHEMBL3976727 C-X-C chemokine receptor type 4 84 ChEMBL 10.1021/acs.jmedchem.6b00566 10.7270/Q2MP5576 27434274 Mona, CE; Besserer-Offroy, É; Cabana, J; Lefrançois, M; Boulais, PE; Lefebvre, MR; Leduc, R; Lavigne, P; Heveker, N; Marsault, É; Escher, E Universit£ de Sherbrooke http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196269 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196269&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 134152789 375977343 CHEMBL3976727 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50522017 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(O)=O InChI=1S/C137H218N46O31S2/c1-74(2)63-96(172-123(205)102(70-185)177-109(191)76(4)163-127(209)106-35-21-61-182(106)129(211)87(142)25-7-11-51-138)117(199)179-103(71-186)124(206)174-97(65-77-38-45-83(187)46-39-77)118(200)169-92(33-19-59-160-136(151)152)115(197)178-101(69-184)122(204)162-75(3)108(190)155-54-14-10-29-95(131(213)214)171-125(207)104-72-215-216-73-105(181-121(203)100(68-80-37-44-81-23-5-6-24-82(81)64-80)173-114(196)89(30-16-56-157-133(145)146)164-110(192)86(141)26-15-55-156-132(143)144)126(208)175-98(66-78-40-47-84(188)48-41-78)119(201)167-90(31-17-57-158-134(147)148)111(193)165-88(27-8-12-52-139)113(195)170-94(28-9-13-53-140)130(212)183-62-22-36-107(183)128(210)176-99(67-79-42-49-85(189)50-43-79)120(202)168-91(32-18-58-159-135(149)150)112(194)166-93(116(198)180-104)34-20-60-161-137(153)154/h5-6,23-24,37-50,64,74-76,86-107,184-189H,7-22,25-36,51-63,65-73,138-142H2,1-4H3,(H,155,190)(H,162,204)(H,163,209)(H,164,192)(H,165,193)(H,166,194)(H,167,201)(H,168,202)(H,169,200)(H,170,195)(H,171,207)(H,172,205)(H,173,196)(H,174,206)(H,175,208)(H,176,210)(H,177,191)(H,178,197)(H,179,199)(H,180,198)(H,181,203)(H,213,214)(H4,143,144,156)(H4,145,146,157)(H4,147,148,158)(H4,149,150,159)(H4,151,152,160)(H4,153,154,161)/t75-,76-,86-,87-,88-,89-,90-,91-,92-,93-,94+,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-/m0/s1 PGKNQTLFVUCWOF-KIXWGVOCSA-N 50196239 CHEMBL3924163 C-X-C chemokine receptor type 4 92 ChEMBL 10.1021/acs.jmedchem.6b00566 10.7270/Q2MP5576 27434274 Mona, CE; Besserer-Offroy, É; Cabana, J; Lefrançois, M; Boulais, PE; Lefebvre, MR; Leduc, R; Lavigne, P; Heveker, N; Marsault, É; Escher, E Universit£ de Sherbrooke http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196239 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196239&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 134140664 104078115 CHEMBL3924163 ZINC35065252 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50522018 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(O)=O InChI=1S/C136H215N43O31S2/c1-73(2)62-95(167-123(201)102(70-182)174-128(206)107(74(3)4)177-127(205)106-36-22-60-178(106)129(207)87(141)26-9-13-51-137)117(195)173-101(69-181)122(200)169-96(64-77-38-45-83(183)46-39-77)116(194)159-76(6)109(187)172-100(68-180)121(199)158-75(5)108(186)152-54-16-12-30-94(131(209)210)166-124(202)103-71-211-212-72-104(176-120(198)99(67-80-37-44-81-24-7-8-25-82(81)63-80)168-114(192)89(31-18-56-154-133(144)145)160-110(188)86(140)27-17-55-153-132(142)143)125(203)170-97(65-78-40-47-84(184)48-41-78)118(196)163-90(32-19-57-155-134(146)147)111(189)161-88(28-10-14-52-138)113(191)165-93(29-11-15-53-139)130(208)179-61-23-35-105(179)126(204)171-98(66-79-42-49-85(185)50-43-79)119(197)164-91(33-20-58-156-135(148)149)112(190)162-92(115(193)175-103)34-21-59-157-136(150)151/h7-8,24-25,37-50,63,73-76,86-107,180-185H,9-23,26-36,51-62,64-72,137-141H2,1-6H3,(H,152,186)(H,158,199)(H,159,194)(H,160,188)(H,161,189)(H,162,190)(H,163,196)(H,164,197)(H,165,191)(H,166,202)(H,167,201)(H,168,192)(H,169,200)(H,170,203)(H,171,204)(H,172,187)(H,173,195)(H,174,206)(H,175,193)(H,176,198)(H,177,205)(H,209,210)(H4,142,143,153)(H4,144,145,154)(H4,146,147,155)(H4,148,149,156)(H4,150,151,157)/t75-,76-,86-,87-,88-,89-,90-,91-,92-,93+,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-/m0/s1 CLDLWMQUYGCIBE-JFYDPXMHSA-N 50196260 CHEMBL3914095 C-X-C chemokine receptor type 4 40 ChEMBL 10.1021/acs.jmedchem.6b00566 10.7270/Q2MP5576 27434274 Mona, CE; Besserer-Offroy, É; Cabana, J; Lefrançois, M; Boulais, PE; Lefebvre, MR; Leduc, R; Lavigne, P; Heveker, N; Marsault, É; Escher, E Universit£ de Sherbrooke http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196260 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196260&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 134142550 375977338 CHEMBL3914095 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50522019 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)c1cc2ccccc2[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(O)=O InChI=1S/C144H221N47O31S2/c1-78(2)66-102(179-130(213)109(75-194)186-135(218)114(101-72-86-26-6-7-29-92(86)170-101)189-134(217)113-39-22-64-190(113)136(219)91(149)27-8-12-54-145)123(206)185-108(74-193)129(212)181-103(68-80-41-48-87(195)49-42-80)124(207)176-97(36-20-62-167-143(158)159)121(204)184-107(73-192)128(211)169-79(3)115(198)162-57-15-11-32-100(138(221)222)178-131(214)110-76-223-224-77-111(188-127(210)106(71-83-40-47-84-24-4-5-25-85(84)67-83)180-120(203)94(33-17-59-164-140(152)153)171-116(199)90(148)28-16-58-163-139(150)151)132(215)182-104(69-81-43-50-88(196)51-44-81)125(208)174-95(34-18-60-165-141(154)155)117(200)172-93(30-9-13-55-146)119(202)177-99(31-10-14-56-147)137(220)191-65-23-38-112(191)133(216)183-105(70-82-45-52-89(197)53-46-82)126(209)175-96(35-19-61-166-142(156)157)118(201)173-98(122(205)187-110)37-21-63-168-144(160)161/h4-7,24-26,29,40-53,67,72,78-79,90-91,93-100,102-114,170,192-197H,8-23,27-28,30-39,54-66,68-71,73-77,145-149H2,1-3H3,(H,162,198)(H,169,211)(H,171,199)(H,172,200)(H,173,201)(H,174,208)(H,175,209)(H,176,207)(H,177,202)(H,178,214)(H,179,213)(H,180,203)(H,181,212)(H,182,215)(H,183,216)(H,184,204)(H,185,206)(H,186,218)(H,187,205)(H,188,210)(H,189,217)(H,221,222)(H4,150,151,163)(H4,152,153,164)(H4,154,155,165)(H4,156,157,166)(H4,158,159,167)(H4,160,161,168)/t79-,90-,91-,93-,94-,95-,96-,97-,98-,99+,100-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-/m0/s1 LZJCIUUHBAXEDP-PQAVBHKMSA-N 50196251 CHEMBL3912312 C-X-C chemokine receptor type 4 64 ChEMBL 10.1021/acs.jmedchem.6b00566 10.7270/Q2MP5576 27434274 Mona, CE; Besserer-Offroy, É; Cabana, J; Lefrançois, M; Boulais, PE; Lefebvre, MR; Leduc, R; Lavigne, P; Heveker, N; Marsault, É; Escher, E Universit£ de Sherbrooke http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196251 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196251&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 134132933 375977334 CHEMBL3912312 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50522020 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(O)=O InChI=1S/C147H224N46O31S2/c1-81(2)68-105(181-133(215)112(77-195)189-130(212)110(75-87-41-49-89-25-5-7-27-91(89)70-87)186-137(219)116-38-22-66-192(116)139(221)96(152)28-8-12-56-148)126(208)188-113(78-196)134(216)183-106(71-83-42-50-92(197)51-43-83)127(209)178-101(36-20-64-170-146(161)162)124(206)187-111(76-194)132(214)172-82(3)118(200)165-59-15-11-32-104(141(223)224)180-135(217)114-79-225-226-80-115(191-131(213)109(74-86-40-48-88-24-4-6-26-90(88)69-86)182-123(205)98(33-17-61-167-143(155)156)173-119(201)95(151)29-16-60-166-142(153)154)136(218)184-107(72-84-44-52-93(198)53-45-84)128(210)176-99(34-18-62-168-144(157)158)120(202)174-97(30-9-13-57-149)122(204)179-103(31-10-14-58-150)140(222)193-67-23-39-117(193)138(220)185-108(73-85-46-54-94(199)55-47-85)129(211)177-100(35-19-63-169-145(159)160)121(203)175-102(125(207)190-114)37-21-65-171-147(163)164/h4-7,24-27,40-55,69-70,81-82,95-117,194-199H,8-23,28-39,56-68,71-80,148-152H2,1-3H3,(H,165,200)(H,172,214)(H,173,201)(H,174,202)(H,175,203)(H,176,210)(H,177,211)(H,178,209)(H,179,204)(H,180,217)(H,181,215)(H,182,205)(H,183,216)(H,184,218)(H,185,220)(H,186,219)(H,187,206)(H,188,208)(H,189,212)(H,190,207)(H,191,213)(H,223,224)(H4,153,154,166)(H4,155,156,167)(H4,157,158,168)(H4,159,160,169)(H4,161,162,170)(H4,163,164,171)/t82-,95-,96-,97-,98-,99-,100-,101-,102-,103+,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-/m0/s1 JPDRWIFETVDWOH-PMWIVKDASA-N 50196263 CHEMBL3974242 C-X-C chemokine receptor type 4 152 ChEMBL 10.1021/acs.jmedchem.6b00566 10.7270/Q2MP5576 27434274 Mona, CE; Besserer-Offroy, É; Cabana, J; Lefrançois, M; Boulais, PE; Lefebvre, MR; Leduc, R; Lavigne, P; Heveker, N; Marsault, É; Escher, E Universit£ de Sherbrooke http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196263 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196263&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 134153941 104078133 CHEMBL3974242 ZINC35065327 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50522021 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(O)=O InChI=1S/C136H217N41O31S2/c1-78(2)68-98(166-123(196)104(75-179)172-128(201)110(79(3)4)175-127(200)108-34-20-60-176(108)129(202)90(141)24-7-11-50-137)118(191)171-103(74-178)122(195)167-99(70-80-36-43-86(180)44-37-80)112(185)153-59-63-207-65-67-208-66-64-206-62-49-109(183)152-53-14-10-28-97(131(204)205)165-124(197)105-76-209-210-77-106(174-121(194)102(73-83-35-42-84-22-5-6-23-85(84)69-83)168-116(189)92(29-16-55-155-133(144)145)159-111(184)89(140)25-15-54-154-132(142)143)125(198)169-100(71-81-38-45-87(181)46-39-81)119(192)162-93(30-17-56-156-134(146)147)113(186)160-91(26-8-12-51-138)115(188)164-96(27-9-13-52-139)130(203)177-61-21-33-107(177)126(199)170-101(72-82-40-47-88(182)48-41-82)120(193)163-94(31-18-57-157-135(148)149)114(187)161-95(117(190)173-105)32-19-58-158-136(150)151/h5-6,22-23,35-48,69,78-79,89-108,110,178-182H,7-21,24-34,49-68,70-77,137-141H2,1-4H3,(H,152,183)(H,153,185)(H,159,184)(H,160,186)(H,161,187)(H,162,192)(H,163,193)(H,164,188)(H,165,197)(H,166,196)(H,167,195)(H,168,189)(H,169,198)(H,170,199)(H,171,191)(H,172,201)(H,173,190)(H,174,194)(H,175,200)(H,204,205)(H4,142,143,154)(H4,144,145,155)(H4,146,147,156)(H4,148,149,157)(H4,150,151,158)/t89-,90-,91-,92-,93-,94-,95-,96+,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,110-/m0/s1 KBQJBUABIPSFLI-KHYQVSPVSA-N 50196270 CHEMBL3963915 C-X-C chemokine receptor type 4 61 ChEMBL 10.1021/acs.jmedchem.6b00566 10.7270/Q2MP5576 27434274 Mona, CE; Besserer-Offroy, É; Cabana, J; Lefrançois, M; Boulais, PE; Lefebvre, MR; Leduc, R; Lavigne, P; Heveker, N; Marsault, É; Escher, E Universit£ de Sherbrooke http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196270 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196270&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 134150065 104078136 CHEMBL3963915 ZINC35065309 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50522022 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(O)=O InChI=1S/C139H222N46O30S2/c1-76(2)65-97(173-125(206)104(73-188)180-130(211)109(77(3)4)183-129(210)108-42-25-63-184(108)131(212)88(144)31-11-15-53-140)118(199)179-103(72-187)124(205)175-98(67-79-27-7-6-8-28-79)119(200)170-93(39-23-61-162-138(153)154)116(197)178-102(71-186)123(204)164-78(5)110(191)157-56-18-14-35-96(133(214)215)172-126(207)105-74-216-217-75-106(182-122(203)101(70-82-43-48-83-29-9-10-30-84(83)66-82)174-115(196)90(36-20-58-159-135(147)148)165-111(192)87(143)32-19-57-158-134(145)146)127(208)176-99(68-80-44-49-85(189)50-45-80)120(201)168-91(37-21-59-160-136(149)150)112(193)166-89(33-12-16-54-141)114(195)171-95(34-13-17-55-142)132(213)185-64-26-41-107(185)128(209)177-100(69-81-46-51-86(190)52-47-81)121(202)169-92(38-22-60-161-137(151)152)113(194)167-94(117(198)181-105)40-24-62-163-139(155)156/h6-10,27-30,43-52,66,76-78,87-109,186-190H,11-26,31-42,53-65,67-75,140-144H2,1-5H3,(H,157,191)(H,164,204)(H,165,192)(H,166,193)(H,167,194)(H,168,201)(H,169,202)(H,170,200)(H,171,195)(H,172,207)(H,173,206)(H,174,196)(H,175,205)(H,176,208)(H,177,209)(H,178,197)(H,179,199)(H,180,211)(H,181,198)(H,182,203)(H,183,210)(H,214,215)(H4,145,146,158)(H4,147,148,159)(H4,149,150,160)(H4,151,152,161)(H4,153,154,162)(H4,155,156,163)/t78-,87-,88-,89-,90-,91-,92-,93-,94-,95+,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-/m0/s1 PUSXVUWZMIWFFS-FPYWRQJYSA-N 50196262 CHEMBL3978794 C-X-C chemokine receptor type 4 65 ChEMBL 10.1021/acs.jmedchem.6b00566 10.7270/Q2MP5576 27434274 Mona, CE; Besserer-Offroy, É; Cabana, J; Lefrançois, M; Boulais, PE; Lefebvre, MR; Leduc, R; Lavigne, P; Heveker, N; Marsault, É; Escher, E Universit£ de Sherbrooke http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196262 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196262&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 134151621 104078132 CHEMBL3978794 ZINC35065303 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50522023 CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(O)=O InChI=1S/C136H216N46O31S2/c1-73(2)106(180-126(208)105-36-21-61-181(105)128(210)86(141)25-7-11-51-137)127(209)177-100(69-184)121(203)162-75(4)108(190)175-101(70-185)122(204)172-95(64-76-38-45-82(186)46-39-76)116(198)168-91(33-19-59-159-135(150)151)114(196)176-99(68-183)120(202)161-74(3)107(189)154-54-14-10-29-94(130(212)213)170-123(205)102-71-214-215-72-103(179-119(201)98(67-79-37-44-80-23-5-6-24-81(80)63-79)171-113(195)88(30-16-56-156-132(144)145)163-109(191)85(140)26-15-55-155-131(142)143)124(206)173-96(65-77-40-47-83(187)48-41-77)117(199)166-89(31-17-57-157-133(146)147)110(192)164-87(27-8-12-52-138)112(194)169-93(28-9-13-53-139)129(211)182-62-22-35-104(182)125(207)174-97(66-78-42-49-84(188)50-43-78)118(200)167-90(32-18-58-158-134(148)149)111(193)165-92(115(197)178-102)34-20-60-160-136(152)153/h5-6,23-24,37-50,63,73-75,85-106,183-188H,7-22,25-36,51-62,64-72,137-141H2,1-4H3,(H,154,189)(H,161,202)(H,162,203)(H,163,191)(H,164,192)(H,165,193)(H,166,199)(H,167,200)(H,168,198)(H,169,194)(H,170,205)(H,171,195)(H,172,204)(H,173,206)(H,174,207)(H,175,190)(H,176,196)(H,177,209)(H,178,197)(H,179,201)(H,180,208)(H,212,213)(H4,142,143,155)(H4,144,145,156)(H4,146,147,157)(H4,148,149,158)(H4,150,151,159)(H4,152,153,160)/t74-,75-,85-,86-,87-,88-,89-,90-,91-,92-,93+,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-/m0/s1 YECPRBJCADXBPY-MGKIFFHSSA-N 50196271 CHEMBL3933112 C-X-C chemokine receptor type 4 171 ChEMBL 10.1021/acs.jmedchem.6b00566 10.7270/Q2MP5576 27434274 Mona, CE; Besserer-Offroy, É; Cabana, J; Lefrançois, M; Boulais, PE; Lefebvre, MR; Leduc, R; Lavigne, P; Heveker, N; Marsault, É; Escher, E Universit£ de Sherbrooke http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196271 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196271&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 134138899 375977344 CHEMBL3933112 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50522024 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(O)=O InChI=1S/C136H217N41O31S2/c1-78(2)68-98(166-123(196)104(75-179)172-128(201)110(79(3)4)175-127(200)108-34-20-60-176(108)129(202)90(141)24-7-11-50-137)118(191)171-103(74-178)122(195)167-99(70-80-36-43-86(180)44-37-80)112(185)153-59-63-207-65-67-208-66-64-206-62-49-109(183)152-53-14-10-28-97(131(204)205)165-124(197)105-76-209-210-77-106(174-121(194)102(73-83-35-42-84-22-5-6-23-85(84)69-83)168-116(189)92(29-16-55-155-133(144)145)159-111(184)89(140)25-15-54-154-132(142)143)125(198)169-100(71-81-38-45-87(181)46-39-81)119(192)162-93(30-17-56-156-134(146)147)113(186)160-91(26-8-12-51-138)115(188)164-96(27-9-13-52-139)130(203)177-61-21-33-107(177)126(199)170-101(72-82-40-47-88(182)48-41-82)120(193)163-94(31-18-57-157-135(148)149)114(187)161-95(117(190)173-105)32-19-58-158-136(150)151/h5-6,22-23,35-48,69,78-79,89-108,110,178-182H,7-21,24-34,49-68,70-77,137-141H2,1-4H3,(H,152,183)(H,153,185)(H,159,184)(H,160,186)(H,161,187)(H,162,192)(H,163,193)(H,164,188)(H,165,197)(H,166,196)(H,167,195)(H,168,189)(H,169,198)(H,170,199)(H,171,191)(H,172,201)(H,173,190)(H,174,194)(H,175,200)(H,204,205)(H4,142,143,154)(H4,144,145,155)(H4,146,147,156)(H4,148,149,157)(H4,150,151,158)/t89-,90-,91-,92-,93-,94-,95-,96+,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,110-/m0/s1 KBQJBUABIPSFLI-KHYQVSPVSA-N 50196270 CHEMBL3963915 C-X-C chemokine receptor type 4 437 ChEMBL 10.1021/acs.jmedchem.6b00566 10.7270/Q2MP5576 27434274 Mona, CE; Besserer-Offroy, É; Cabana, J; Lefrançois, M; Boulais, PE; Lefebvre, MR; Leduc, R; Lavigne, P; Heveker, N; Marsault, É; Escher, E Universit£ de Sherbrooke http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196270 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196270&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 134150065 104078136 CHEMBL3963915 ZINC35065309 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50522025 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(O)=O InChI=1S/C133H218N46O30S2/c1-71(2)61-92(168-119(200)98(68-182)174-124(205)103(72(3)4)177-123(204)102-38-23-59-178(102)125(206)83(138)27-9-13-49-134)113(194)173-97(67-181)118(199)159-74(6)105(186)160-85(32-18-54-153-129(141)142)111(192)172-96(66-180)117(198)158-73(5)104(185)151-52-16-12-31-91(127(208)209)167-120(201)99-69-210-211-70-100(176-116(197)95(65-77-39-44-78-25-7-8-26-79(78)62-77)169-110(191)86(33-19-55-154-130(143)144)161-106(187)82(137)28-17-53-152-128(139)140)121(202)170-93(63-75-40-45-80(183)46-41-75)114(195)164-87(34-20-56-155-131(145)146)107(188)162-84(29-10-14-50-135)109(190)166-90(30-11-15-51-136)126(207)179-60-24-37-101(179)122(203)171-94(64-76-42-47-81(184)48-43-76)115(196)165-88(35-21-57-156-132(147)148)108(189)163-89(112(193)175-99)36-22-58-157-133(149)150/h7-8,25-26,39-48,62,71-74,82-103,180-184H,9-24,27-38,49-61,63-70,134-138H2,1-6H3,(H,151,185)(H,158,198)(H,159,199)(H,160,186)(H,161,187)(H,162,188)(H,163,189)(H,164,195)(H,165,196)(H,166,190)(H,167,201)(H,168,200)(H,169,191)(H,170,202)(H,171,203)(H,172,192)(H,173,194)(H,174,205)(H,175,193)(H,176,197)(H,177,204)(H,208,209)(H4,139,140,152)(H4,141,142,153)(H4,143,144,154)(H4,145,146,155)(H4,147,148,156)(H4,149,150,157)/t73-,74-,82-,83-,84-,85-,86-,87-,88-,89-,90+,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-/m0/s1 OEGSESZHGYFEGS-MRGRJGCWSA-N 50196272 CHEMBL3942093 C-X-C chemokine receptor type 4 230 ChEMBL 10.1021/acs.jmedchem.6b00566 10.7270/Q2MP5576 27434274 Mona, CE; Besserer-Offroy, É; Cabana, J; Lefrançois, M; Boulais, PE; Lefebvre, MR; Leduc, R; Lavigne, P; Heveker, N; Marsault, É; Escher, E Universit£ de Sherbrooke http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196272 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196272&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 134145289 375977345 CHEMBL3942093 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50522026 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(O)=O 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SBRXVBLWAISLPQ-GBWBSACESA-N 50196273 CHEMBL3905094 C-X-C chemokine receptor type 4 144 ChEMBL 10.1021/acs.jmedchem.6b00566 10.7270/Q2MP5576 27434274 Mona, CE; Besserer-Offroy, É; Cabana, J; Lefrançois, M; Boulais, PE; Lefebvre, MR; Leduc, R; Lavigne, P; Heveker, N; Marsault, É; Escher, E Universit£ de Sherbrooke http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196273 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196273&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 134134766 375977346 CHEMBL3905094 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50522027 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC(CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(O)=O 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SXOLPPSQEQVALV-DPZQOTSASA-N 50196274 CHEMBL3912645 C-X-C chemokine receptor type 4 111 ChEMBL 10.1021/acs.jmedchem.6b00566 10.7270/Q2MP5576 27434274 Mona, CE; Besserer-Offroy, É; Cabana, J; Lefrançois, M; Boulais, PE; Lefebvre, MR; Leduc, R; Lavigne, P; Heveker, N; Marsault, É; Escher, E Universit£ de Sherbrooke http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196274 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196274&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 134143183 375977347 CHEMBL3912645 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50522028 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(O)=O 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SBRXVBLWAISLPQ-GBWBSACESA-N 50196273 CHEMBL3905094 C-X-C chemokine receptor type 4 368 ChEMBL 10.1021/acs.jmedchem.6b00566 10.7270/Q2MP5576 27434274 Mona, CE; Besserer-Offroy, É; Cabana, J; Lefrançois, M; Boulais, PE; Lefebvre, MR; Leduc, R; Lavigne, P; Heveker, N; Marsault, É; Escher, E Universit£ de Sherbrooke http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196273 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196273&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 134134766 375977346 CHEMBL3905094 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50522029 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(O)=O 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IRZLWZCLWVZBHE-ZNJXPDDDSA-N 50196269 CHEMBL3976727 C-X-C chemokine receptor type 4 58 ChEMBL 10.1021/acs.jmedchem.6b00566 10.7270/Q2MP5576 27434274 Mona, CE; Besserer-Offroy, É; Cabana, J; Lefrançois, M; Boulais, PE; Lefebvre, MR; Leduc, R; Lavigne, P; Heveker, N; Marsault, É; Escher, E Universit£ de Sherbrooke http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196269 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196269&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 134152789 375977343 CHEMBL3976727 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50522030 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(O)=O 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PRXAQWSMEGHPTG-ZNJXPDDDSA-N 50196256 CHEMBL3970509 C-X-C chemokine receptor type 4 73 ChEMBL 10.1021/acs.jmedchem.6b00566 10.7270/Q2MP5576 27434274 Mona, CE; Besserer-Offroy, É; Cabana, J; Lefrançois, M; Boulais, PE; Lefebvre, MR; Leduc, R; Lavigne, P; Heveker, N; Marsault, É; Escher, E Universit£ de Sherbrooke http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196256 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196256&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 134154190 375977335 CHEMBL3970509 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50522031 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(cc1)C(=O)c1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(O)=O 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KXNQBQFEYJSJJO-SAMKPQGKSA-N 50196255 CHEMBL3955461 C-X-C chemokine receptor type 4 34 ChEMBL 10.1021/acs.jmedchem.6b00566 10.7270/Q2MP5576 27434274 Mona, CE; Besserer-Offroy, É; Cabana, J; Lefrançois, M; Boulais, PE; Lefebvre, MR; Leduc, R; Lavigne, P; Heveker, N; Marsault, É; Escher, E Universit£ de Sherbrooke http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196255 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196255&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 134144151 104078130 CHEMBL3955461 ZINC35065323 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50522032 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C\C=C\c1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(O)=O InChI=1S/C145H224N46O31S2/c1-81(2)70-104(180-131(213)110(77-193)186-122(204)96(36-17-28-83-26-5-4-6-27-83)177-135(217)114-42-24-68-190(114)137(219)94(150)31-9-13-58-146)125(207)187-111(78-194)132(214)182-105(72-84-45-52-90(195)53-46-84)126(208)176-100(40-22-66-168-144(159)160)123(205)185-109(76-192)130(212)170-82(3)116(198)163-61-16-12-35-103(139(221)222)179-133(215)112-79-223-224-80-113(189-129(211)108(75-87-44-51-88-29-7-8-30-89(88)71-87)181-121(203)97(37-19-63-165-141(153)154)171-117(199)93(149)32-18-62-164-140(151)152)134(216)183-106(73-85-47-54-91(196)55-48-85)127(209)174-98(38-20-64-166-142(155)156)118(200)172-95(33-10-14-59-147)120(202)178-102(34-11-15-60-148)138(220)191-69-25-43-115(191)136(218)184-107(74-86-49-56-92(197)57-50-86)128(210)175-99(39-21-65-167-143(157)158)119(201)173-101(124(206)188-112)41-23-67-169-145(161)162/h4-8,17,26-30,44-57,71,81-82,93-115,192-197H,9-16,18-25,31-43,58-70,72-80,146-150H2,1-3H3,(H,163,198)(H,170,212)(H,171,199)(H,172,200)(H,173,201)(H,174,209)(H,175,210)(H,176,208)(H,177,217)(H,178,202)(H,179,215)(H,180,213)(H,181,203)(H,182,214)(H,183,216)(H,184,218)(H,185,205)(H,186,204)(H,187,207)(H,188,206)(H,189,211)(H,221,222)(H4,151,152,164)(H4,153,154,165)(H4,155,156,166)(H4,157,158,167)(H4,159,160,168)(H4,161,162,169)/b28-17+/t82-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102+,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-/m0/s1 GDCBENLGSFGYIL-ZNWVDKDVSA-N 50196275 CHEMBL3930215 C-X-C chemokine receptor type 4 31 ChEMBL 10.1021/acs.jmedchem.6b00566 10.7270/Q2MP5576 27434274 Mona, CE; Besserer-Offroy, É; Cabana, J; Lefrançois, M; Boulais, PE; Lefebvre, MR; Leduc, R; Lavigne, P; Heveker, N; Marsault, É; Escher, E Universit£ de Sherbrooke http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196275 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196275&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 134138747 375977348 CHEMBL3930215 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50522033 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(O)=O InChI=1S/C140H224N46O31S2/c1-76(2)65-97(174-125(208)104(73-189)181-130(213)109(140(4,5)6)184-129(212)108-38-23-63-185(108)131(214)88(145)27-9-13-53-141)118(201)180-103(72-188)124(207)176-98(67-78-40-47-84(190)48-41-78)119(202)171-93(35-21-61-163-138(154)155)116(199)179-102(71-187)123(206)165-77(3)110(193)158-56-16-12-31-96(133(216)217)173-126(209)105-74-218-219-75-106(183-122(205)101(70-81-39-46-82-25-7-8-26-83(82)66-81)175-115(198)90(32-18-58-160-135(148)149)166-111(194)87(144)28-17-57-159-134(146)147)127(210)177-99(68-79-42-49-85(191)50-43-79)120(203)169-91(33-19-59-161-136(150)151)112(195)167-89(29-10-14-54-142)114(197)172-95(30-11-15-55-143)132(215)186-64-24-37-107(186)128(211)178-100(69-80-44-51-86(192)52-45-80)121(204)170-92(34-20-60-162-137(152)153)113(196)168-94(117(200)182-105)36-22-62-164-139(156)157/h7-8,25-26,39-52,66,76-77,87-109,187-192H,9-24,27-38,53-65,67-75,141-145H2,1-6H3,(H,158,193)(H,165,206)(H,166,194)(H,167,195)(H,168,196)(H,169,203)(H,170,204)(H,171,202)(H,172,197)(H,173,209)(H,174,208)(H,175,198)(H,176,207)(H,177,210)(H,178,211)(H,179,199)(H,180,201)(H,181,213)(H,182,200)(H,183,205)(H,184,212)(H,216,217)(H4,146,147,159)(H4,148,149,160)(H4,150,151,161)(H4,152,153,162)(H4,154,155,163)(H4,156,157,164)/t77-,87-,88-,89-,90-,91-,92-,93-,94-,95+,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109+/m0/s1 MMNQSXVKAURORN-FLXFEESRSA-N 50196276 CHEMBL3982241 C-X-C chemokine receptor type 4 84 ChEMBL 10.1021/acs.jmedchem.6b00566 10.7270/Q2MP5576 27434274 Mona, CE; Besserer-Offroy, É; Cabana, J; Lefrançois, M; Boulais, PE; Lefebvre, MR; Leduc, R; Lavigne, P; Heveker, N; Marsault, É; Escher, E Universit£ de Sherbrooke http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196276 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196276&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 134157934 375977349 CHEMBL3982241 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50522034 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)C1(Cc2ccccc2C1)NC(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(O)=O 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KQIUZWYUIZXQFD-MGVAMXKGSA-N 50196277 CHEMBL3963508 C-X-C chemokine receptor type 4 137 ChEMBL 10.1021/acs.jmedchem.6b00566 10.7270/Q2MP5576 27434274 Mona, CE; Besserer-Offroy, É; Cabana, J; Lefrançois, M; Boulais, PE; Lefebvre, MR; Leduc, R; Lavigne, P; Heveker, N; Marsault, É; Escher, E Universit£ de Sherbrooke http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196277 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196277&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 134150735 375977350 CHEMBL3963508 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50522035 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC(CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(O)=O 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SXOLPPSQEQVALV-DPZQOTSASA-N 50196274 CHEMBL3912645 C-X-C chemokine receptor type 4 137 ChEMBL 10.1021/acs.jmedchem.6b00566 10.7270/Q2MP5576 27434274 Mona, CE; Besserer-Offroy, É; Cabana, J; Lefrançois, M; Boulais, PE; Lefebvre, MR; Leduc, R; Lavigne, P; Heveker, N; Marsault, É; Escher, E Universit£ de Sherbrooke http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196274 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196274&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 134143183 375977347 CHEMBL3912645 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50522036 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(O)=O 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MMNQSXVKAURORN-FLXFEESRSA-N 50196276 CHEMBL3982241 C-X-C chemokine receptor type 4 15 ChEMBL 10.1021/acs.jmedchem.6b00566 10.7270/Q2MP5576 27434274 Mona, CE; Besserer-Offroy, É; Cabana, J; Lefrançois, M; Boulais, PE; Lefebvre, MR; Leduc, R; Lavigne, P; Heveker, N; Marsault, É; Escher, E Universit£ de Sherbrooke http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196276 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196276&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 134157934 375977349 CHEMBL3982241 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50522037 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C\C=C\c1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(O)=O 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GDCBENLGSFGYIL-ZNWVDKDVSA-N 50196275 CHEMBL3930215 C-X-C chemokine receptor type 4 50 ChEMBL 10.1021/acs.jmedchem.6b00566 10.7270/Q2MP5576 27434274 Mona, CE; Besserer-Offroy, É; Cabana, J; Lefrançois, M; Boulais, PE; Lefebvre, MR; Leduc, R; Lavigne, P; Heveker, N; Marsault, É; Escher, E Universit£ de Sherbrooke http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196275 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196275&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 134138747 375977348 CHEMBL3930215 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50522038 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(cc1)C(=O)c1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(O)=O InChI=1S/C147H221N41O32S2/c1-86(2)75-108(177-134(208)114(82-189)184-132(206)112(78-87-38-48-94(49-39-87)121(195)93-24-4-3-5-25-93)182-138(212)118-36-21-67-187(118)140(214)100(152)27-8-12-57-148)129(203)183-115(83-190)135(209)178-109(77-88-41-50-96(191)51-42-88)123(197)164-66-70-219-72-74-220-73-71-218-69-56-120(194)163-60-15-11-31-107(142(216)217)176-136(210)116-84-221-222-85-117(186-133(207)113(81-91-40-47-92-23-6-7-26-95(92)76-91)179-127(201)102(32-17-62-166-144(155)156)170-122(196)99(151)28-16-61-165-143(153)154)137(211)180-110(79-89-43-52-97(192)53-44-89)130(204)173-103(33-18-63-167-145(157)158)124(198)171-101(29-9-13-58-149)126(200)175-106(30-10-14-59-150)141(215)188-68-22-37-119(188)139(213)181-111(80-90-45-54-98(193)55-46-90)131(205)174-104(34-19-64-168-146(159)160)125(199)172-105(128(202)185-116)35-20-65-169-147(161)162/h3-7,23-26,38-55,76,86,99-119,189-193H,8-22,27-37,56-75,77-85,148-152H2,1-2H3,(H,163,194)(H,164,197)(H,170,196)(H,171,198)(H,172,199)(H,173,204)(H,174,205)(H,175,200)(H,176,210)(H,177,208)(H,178,209)(H,179,201)(H,180,211)(H,181,213)(H,182,212)(H,183,203)(H,184,206)(H,185,202)(H,186,207)(H,216,217)(H4,153,154,165)(H4,155,156,166)(H4,157,158,167)(H4,159,160,168)(H4,161,162,169)/t99-,100-,101-,102-,103-,104-,105-,106+,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-/m0/s1 VPSHFDINTXEKET-ZDMOHFETSA-N 50196243 CHEMBL3923006 C-X-C chemokine receptor type 4 207 ChEMBL 10.1021/acs.jmedchem.6b00566 10.7270/Q2MP5576 27434274 Mona, CE; Besserer-Offroy, É; Cabana, J; Lefrançois, M; Boulais, PE; Lefebvre, MR; Leduc, R; Lavigne, P; Heveker, N; Marsault, É; Escher, E Universit£ de Sherbrooke http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196243 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196243&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 134139386 104078119 CHEMBL3923006 ZINC35065246 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50522039 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(cc1)[N+]([O-])=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(O)=O InChI=1S/C139H221N47O32S2/c1-75(2)64-97(173-125(207)104(72-189)180-130(212)109(76(3)4)183-129(211)108-37-22-62-184(108)131(213)88(144)26-8-12-52-140)118(200)179-103(71-188)124(206)175-98(66-78-39-46-84(47-40-78)186(217)218)119(201)170-93(34-20-60-162-138(153)154)116(198)178-102(70-187)123(205)164-77(5)110(192)157-55-15-11-30-96(133(215)216)172-126(208)105-73-219-220-74-106(182-122(204)101(69-81-38-45-82-24-6-7-25-83(82)65-81)174-115(197)90(31-17-57-159-135(147)148)165-111(193)87(143)27-16-56-158-134(145)146)127(209)176-99(67-79-41-48-85(190)49-42-79)120(202)168-91(32-18-58-160-136(149)150)112(194)166-89(28-9-13-53-141)114(196)171-95(29-10-14-54-142)132(214)185-63-23-36-107(185)128(210)177-100(68-80-43-50-86(191)51-44-80)121(203)169-92(33-19-59-161-137(151)152)113(195)167-94(117(199)181-105)35-21-61-163-139(155)156/h6-7,24-25,38-51,65,75-77,87-109,187-191H,8-23,26-37,52-64,66-74,140-144H2,1-5H3,(H,157,192)(H,164,205)(H,165,193)(H,166,194)(H,167,195)(H,168,202)(H,169,203)(H,170,201)(H,171,196)(H,172,208)(H,173,207)(H,174,197)(H,175,206)(H,176,209)(H,177,210)(H,178,198)(H,179,200)(H,180,212)(H,181,199)(H,182,204)(H,183,211)(H,215,216)(H4,145,146,158)(H4,147,148,159)(H4,149,150,160)(H4,151,152,161)(H4,153,154,162)(H4,155,156,163)/t77-,87-,88-,89-,90-,91-,92-,93-,94-,95+,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-/m0/s1 DFLVOQFANLVCQV-ZNJXPDDDSA-N 50196244 CHEMBL3896065 C-X-C chemokine receptor type 4 62 ChEMBL 10.1021/acs.jmedchem.6b00566 10.7270/Q2MP5576 27434274 Mona, CE; Besserer-Offroy, É; Cabana, J; Lefrançois, M; Boulais, PE; Lefebvre, MR; Leduc, R; Lavigne, P; Heveker, N; Marsault, É; Escher, E Universit£ de Sherbrooke http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196244 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196244&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 134134119 104078120 CHEMBL3896065 ZINC38145012 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50522040 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(N)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(O)=O InChI=1S/C139H223N47O30S2/c1-75(2)64-97(174-125(207)104(72-189)181-130(212)109(76(3)4)184-129(211)108-37-22-62-185(108)131(213)88(145)26-8-12-52-140)118(200)180-103(71-188)124(206)176-98(66-78-39-46-84(143)47-40-78)119(201)171-93(34-20-60-163-138(154)155)116(198)179-102(70-187)123(205)165-77(5)110(192)158-55-15-11-30-96(133(215)216)173-126(208)105-73-217-218-74-106(183-122(204)101(69-81-38-45-82-24-6-7-25-83(82)65-81)175-115(197)90(31-17-57-160-135(148)149)166-111(193)87(144)27-16-56-159-134(146)147)127(209)177-99(67-79-41-48-85(190)49-42-79)120(202)169-91(32-18-58-161-136(150)151)112(194)167-89(28-9-13-53-141)114(196)172-95(29-10-14-54-142)132(214)186-63-23-36-107(186)128(210)178-100(68-80-43-50-86(191)51-44-80)121(203)170-92(33-19-59-162-137(152)153)113(195)168-94(117(199)182-105)35-21-61-164-139(156)157/h6-7,24-25,38-51,65,75-77,87-109,187-191H,8-23,26-37,52-64,66-74,140-145H2,1-5H3,(H,158,192)(H,165,205)(H,166,193)(H,167,194)(H,168,195)(H,169,202)(H,170,203)(H,171,201)(H,172,196)(H,173,208)(H,174,207)(H,175,197)(H,176,206)(H,177,209)(H,178,210)(H,179,198)(H,180,200)(H,181,212)(H,182,199)(H,183,204)(H,184,211)(H,215,216)(H4,146,147,159)(H4,148,149,160)(H4,150,151,161)(H4,152,153,162)(H4,154,155,163)(H4,156,157,164)/t77-,87-,88-,89-,90-,91-,92-,93-,94-,95+,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-/m0/s1 XHUDJYJBTREIEK-ZNJXPDDDSA-N 50196278 CHEMBL3949729 C-X-C chemokine receptor type 4 83 ChEMBL 10.1021/acs.jmedchem.6b00566 10.7270/Q2MP5576 27434274 Mona, CE; Besserer-Offroy, É; Cabana, J; Lefrançois, M; Boulais, PE; Lefebvre, MR; Leduc, R; Lavigne, P; Heveker, N; Marsault, É; Escher, E Universit£ de Sherbrooke http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196278 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196278&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 134146914 375977351 CHEMBL3949729 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50522041 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc2cc3ccccc3cc2c1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(O)=O InChI=1S/C151H226N46O31S2/c1-83(2)68-109(185-137(219)116(79-199)193-134(216)114(75-89-41-49-94-76-92-26-6-7-27-93(92)77-95(94)70-89)190-141(223)120-38-22-66-196(120)143(225)100(156)28-8-12-56-152)130(212)192-117(80-200)138(220)187-110(71-85-42-50-96(201)51-43-85)131(213)182-105(36-20-64-174-150(165)166)128(210)191-115(78-198)136(218)176-84(3)122(204)169-59-15-11-32-108(145(227)228)184-139(221)118-81-229-230-82-119(195-135(217)113(74-88-40-48-90-24-4-5-25-91(90)69-88)186-127(209)102(33-17-61-171-147(159)160)177-123(205)99(155)29-16-60-170-146(157)158)140(222)188-111(72-86-44-52-97(202)53-45-86)132(214)180-103(34-18-62-172-148(161)162)124(206)178-101(30-9-13-57-153)126(208)183-107(31-10-14-58-154)144(226)197-67-23-39-121(197)142(224)189-112(73-87-46-54-98(203)55-47-87)133(215)181-104(35-19-63-173-149(163)164)125(207)179-106(129(211)194-118)37-21-65-175-151(167)168/h4-7,24-27,40-55,69-70,76-77,83-84,99-121,198-203H,8-23,28-39,56-68,71-75,78-82,152-156H2,1-3H3,(H,169,204)(H,176,218)(H,177,205)(H,178,206)(H,179,207)(H,180,214)(H,181,215)(H,182,213)(H,183,208)(H,184,221)(H,185,219)(H,186,209)(H,187,220)(H,188,222)(H,189,224)(H,190,223)(H,191,210)(H,192,212)(H,193,216)(H,194,211)(H,195,217)(H,227,228)(H4,157,158,170)(H4,159,160,171)(H4,161,162,172)(H4,163,164,173)(H4,165,166,174)(H4,167,168,175)/t84-,99-,100-,101-,102-,103-,104-,105-,106-,107+,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-/m0/s1 XNXGVVMLNRKLGT-FURIBFRVSA-N 50196241 CHEMBL3902240 C-X-C chemokine receptor type 4 48 ChEMBL 10.1021/acs.jmedchem.6b00566 10.7270/Q2MP5576 27434274 Mona, CE; Besserer-Offroy, É; Cabana, J; Lefrançois, M; Boulais, PE; Lefebvre, MR; Leduc, R; Lavigne, P; Heveker, N; Marsault, É; Escher, E Universit£ de Sherbrooke http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196241 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196241&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 134135404 104078117 CHEMBL3902240 ZINC35065248 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50522042 CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(O)=O InChI=1S/C139H222N46O30S2/c1-75(2)65-98(174-111(192)78(6)165-130(211)109(76(3)4)183-129(210)108-38-23-63-184(108)131(212)89(144)27-9-13-53-140)119(200)180-104(72-187)125(206)176-99(67-79-40-47-85(188)48-41-79)120(201)171-94(35-21-61-162-138(153)154)117(198)179-103(71-186)124(205)164-77(5)110(191)157-56-16-12-31-97(133(214)215)173-126(207)105-73-216-217-74-106(182-123(204)102(70-82-39-46-83-25-7-8-26-84(83)66-82)175-116(197)91(32-18-58-159-135(147)148)166-112(193)88(143)28-17-57-158-134(145)146)127(208)177-100(68-80-42-49-86(189)50-43-80)121(202)169-92(33-19-59-160-136(149)150)113(194)167-90(29-10-14-54-141)115(196)172-96(30-11-15-55-142)132(213)185-64-24-37-107(185)128(209)178-101(69-81-44-51-87(190)52-45-81)122(203)170-93(34-20-60-161-137(151)152)114(195)168-95(118(199)181-105)36-22-62-163-139(155)156/h7-8,25-26,39-52,66,75-78,88-109,186-190H,9-24,27-38,53-65,67-74,140-144H2,1-6H3,(H,157,191)(H,164,205)(H,165,211)(H,166,193)(H,167,194)(H,168,195)(H,169,202)(H,170,203)(H,171,201)(H,172,196)(H,173,207)(H,174,192)(H,175,197)(H,176,206)(H,177,208)(H,178,209)(H,179,198)(H,180,200)(H,181,199)(H,182,204)(H,183,210)(H,214,215)(H4,145,146,158)(H4,147,148,159)(H4,149,150,160)(H4,151,152,161)(H4,153,154,162)(H4,155,156,163)/t77-,78-,88-,89-,90-,91-,92-,93-,94-,95-,96+,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-/m0/s1 KCEZNHJHOIXMRG-GBWBSACESA-N 50196240 CHEMBL3896146 C-X-C chemokine receptor type 4 25 ChEMBL 10.1021/acs.jmedchem.6b00566 10.7270/Q2MP5576 27434274 Mona, CE; Besserer-Offroy, É; Cabana, J; Lefrançois, M; Boulais, PE; Lefebvre, MR; Leduc, R; Lavigne, P; Heveker, N; Marsault, É; Escher, E Universit£ de Sherbrooke http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196240 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196240&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 134134008 104078116 CHEMBL3896146 ZINC35065242 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50522043 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(N)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(O)=O InChI=1S/C139H223N47O30S2/c1-75(2)64-97(174-125(207)104(72-189)181-130(212)109(76(3)4)184-129(211)108-37-22-62-185(108)131(213)88(145)26-8-12-52-140)118(200)180-103(71-188)124(206)176-98(66-78-39-46-84(143)47-40-78)119(201)171-93(34-20-60-163-138(154)155)116(198)179-102(70-187)123(205)165-77(5)110(192)158-55-15-11-30-96(133(215)216)173-126(208)105-73-217-218-74-106(183-122(204)101(69-81-38-45-82-24-6-7-25-83(82)65-81)175-115(197)90(31-17-57-160-135(148)149)166-111(193)87(144)27-16-56-159-134(146)147)127(209)177-99(67-79-41-48-85(190)49-42-79)120(202)169-91(32-18-58-161-136(150)151)112(194)167-89(28-9-13-53-141)114(196)172-95(29-10-14-54-142)132(214)186-63-23-36-107(186)128(210)178-100(68-80-43-50-86(191)51-44-80)121(203)170-92(33-19-59-162-137(152)153)113(195)168-94(117(199)182-105)35-21-61-164-139(156)157/h6-7,24-25,38-51,65,75-77,87-109,187-191H,8-23,26-37,52-64,66-74,140-145H2,1-5H3,(H,158,192)(H,165,205)(H,166,193)(H,167,194)(H,168,195)(H,169,202)(H,170,203)(H,171,201)(H,172,196)(H,173,208)(H,174,207)(H,175,197)(H,176,206)(H,177,209)(H,178,210)(H,179,198)(H,180,200)(H,181,212)(H,182,199)(H,183,204)(H,184,211)(H,215,216)(H4,146,147,159)(H4,148,149,160)(H4,150,151,161)(H4,152,153,162)(H4,154,155,163)(H4,156,157,164)/t77-,87-,88-,89-,90-,91-,92-,93-,94-,95+,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-/m0/s1 XHUDJYJBTREIEK-ZNJXPDDDSA-N 50196278 CHEMBL3949729 C-X-C chemokine receptor type 4 94 ChEMBL 10.1021/acs.jmedchem.6b00566 10.7270/Q2MP5576 27434274 Mona, CE; Besserer-Offroy, É; Cabana, J; Lefrançois, M; Boulais, PE; Lefebvre, MR; Leduc, R; Lavigne, P; Heveker, N; Marsault, É; Escher, E Universit£ de Sherbrooke http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196278 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196278&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 134146914 375977351 CHEMBL3949729 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51032664 C(N1CCCNCCNCCCNCC1)c1ccc(CN2CCCNCCNCCCNCC2)cc1 InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2 YIQPUIGJQJDJOS-UHFFFAOYSA-N 50035696 1,1''-{1,4-phenylenebis(methylene)}-bis{1,4,8,11-tetraaza-cyclotetradecane}::1,4,8,11-tetraazacyclotetradecanyl[4-(1,4,8,11-tetraazacyclotetradecanylmethyl)phenyl]methane::1,4,8,11-tetraazacyclotetradecanyl[4-(1,4,8,11-tetraazacyclotetradecanylmethyl)phenyl]methane(8HBr.2H2O)::1,4-bis((1,4,8,11-tetraazacyclotetradecan-1-yl)methyl)benzene::11''-xylyl bis-1,4,8,11-tetraazacyclotetradecane::11-{4-[4,8, 11-1,4,8,11tetraaza-cyclotetradec-1-ylmethyl]-benzyl}-1,4,8,11tetraaza-cyclotetradecane-1,4,8-tricarboxylic acid tri-tert-butyl ester::AMD-3100::CHEMBL18442::CHEMBL2311089::PLERIXAFOR::PLERIXAFOR OCTAHYDROCHLORIDE::US9205085, MSX-162 C-X-C chemokine receptor type 4 7.0 ChEMBL 10.1021/jm990211i 10.7270/Q2K0750M 10508445 Bridger, GJ; Skerlj, RT; Padmanabhan, S; Martellucci, SA; Henson, GW; Struyf, S; Witvrouw, M; Schols, D; De Clercq, E AnorMED Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50035696 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50035696&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 65015 103943663 CHEMBL2311089CHEMBL18442 DB06809 844 ZINC22443609 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51020000 CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 InChI=1S/C28H45N7/c1-5-16-34(17-6-2)19-8-7-18-32(3)21-25-9-11-26(12-10-25)22-35(23-27-29-13-14-30-27)24-28-31-15-20-33(28)4/h9-15,20H,5-8,16-19,21-24H2,1-4H3,(H,29,30) SHGBVICHXYKTGY-UHFFFAOYSA-N 50335557 CHEMBL1652605::N,N-dipropyl-N'-[4-({[(1H-imidazol-2-yl)methyl][(1-methyl-1H-imidazol-2-yl)methyl]amino}methyl)benzyl]-N'-methylbutane-1,4-diamine tri-(2R,3R)-tartrate C-X-C chemokine receptor type 4 0.61 ChEMBL 10.1128/AAC.01727-08 10.7270/Q2GF0TR7 19451305 Murakami, T; Kumakura, S; Yamazaki, T; Tanaka, R; Hamatake, M; Okuma, K; Huang, W; Toma, J; Komano, J; Yanaka, M; Tanaka, Y; Yamamoto, N National Institute of Infectious Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50335557 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50335557&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 11950261 125085659 CHEMBL1652605 ZINC64516270 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51020001 CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 InChI=1S/C28H45N7/c1-5-16-34(17-6-2)19-8-7-18-32(3)21-25-9-11-26(12-10-25)22-35(23-27-29-13-14-30-27)24-28-31-15-20-33(28)4/h9-15,20H,5-8,16-19,21-24H2,1-4H3,(H,29,30) SHGBVICHXYKTGY-UHFFFAOYSA-N 50335557 CHEMBL1652605::N,N-dipropyl-N'-[4-({[(1H-imidazol-2-yl)methyl][(1-methyl-1H-imidazol-2-yl)methyl]amino}methyl)benzyl]-N'-methylbutane-1,4-diamine tri-(2R,3R)-tartrate C-X-C chemokine receptor type 4 2.8 ChEMBL 10.1128/AAC.01727-08 10.7270/Q2GF0TR7 19451305 Murakami, T; Kumakura, S; Yamazaki, T; Tanaka, R; Hamatake, M; Okuma, K; Huang, W; Toma, J; Komano, J; Yanaka, M; Tanaka, Y; Yamamoto, N National Institute of Infectious Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50335557 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50335557&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 11950261 125085659 CHEMBL1652605 ZINC64516270 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50203109 C[C@H]1\C=C/[C@@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC[C@H](NC(=O)C(CCCNC(N)=O)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCN=C(N)N InChI=1S/C89H140N32O17S2/c1-50-24-31-56(16-4-6-36-90)110-73(126)60(18-5-7-37-91)112-74(127)62(20-10-40-106-86(97)98)115-79(132)67(46-52-28-34-58(123)35-29-52)119-82(135)70(121-80(133)68(47-53-25-30-54-14-2-3-15-55(54)44-53)118-76(129)61(19-9-39-105-85(95)96)111-72(125)59(92)17-8-38-104-84(93)94)49-140-139-48-69(81(134)116-65(83(136)137)23-13-42-108-88(101)102)120-77(130)64(22-12-43-109-89(103)138)113-75(128)63(21-11-41-107-87(99)100)114-78(131)66(117-71(50)124)45-51-26-32-57(122)33-27-51/h2-3,14-15,24-35,44,50,56,59-70,122-123H,4-13,16-23,36-43,45-49,90-92H2,1H3,(H,110,126)(H,111,125)(H,112,127)(H,113,128)(H,114,131)(H,115,132)(H,116,134)(H,117,124)(H,118,129)(H,119,135)(H,120,130)(H,121,133)(H,136,137)(H4,93,94,104)(H4,95,96,105)(H4,97,98,106)(H4,99,100,107)(H4,101,102,108)(H3,103,109,138)/b31-24-/t50-,56+,59-,60-,61-,62+,63+,64?,65-,66-,67-,68-,69-,70-/m0/s1 OIPDSEWCUJBWPS-VFAQCTDESA-N 50111971 CHEMBL409991::cyclic pseudopeptide Analogue C-X-C chemokine receptor type 4 7300 ChEMBL 10.1016/s0960-894x(02)00041-0 10.7270/Q24M93TG 11958995 Tamamura, H; Hiramatsu, K; Miyamoto, K; Omagari, A; Oishi, S; Nakashima, H; Yamamoto, N; Kuroda, Y; Nakagawa, T; Otaka, A; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50111971 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50111971&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 91931937 104006493 CHEMBL409991 C04026 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50203110 C[C@H]1\C=C/[C@@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC[C@H](NC(=O)C(CCCNC(N)=O)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCN=C(N)N InChI=1S/C87H139N33O17S2/c1-48-24-29-52(14-4-6-34-88)109-71(125)58(18-5-7-35-89)111-72(126)60(20-10-38-104-84(95)96)114-77(131)65(43-50-27-32-54(122)33-28-50)117-80(134)68(120-78(132)66(44-51-45-108-57-17-3-2-15-55(51)57)118-74(128)59(19-9-37-103-83(93)94)110-70(124)56(90)16-8-36-102-82(91)92)47-139-138-46-67(79(133)115-63(81(135)136)23-13-40-106-86(99)100)119-75(129)62(22-12-41-107-87(101)137)112-73(127)61(21-11-39-105-85(97)98)113-76(130)64(116-69(48)123)42-49-25-30-53(121)31-26-49/h2-3,15,17,24-33,45,48,52,56,58-68,108,121-122H,4-14,16,18-23,34-44,46-47,88-90H2,1H3,(H,109,125)(H,110,124)(H,111,126)(H,112,127)(H,113,130)(H,114,131)(H,115,133)(H,116,123)(H,117,134)(H,118,128)(H,119,129)(H,120,132)(H,135,136)(H4,91,92,102)(H4,93,94,103)(H4,95,96,104)(H4,97,98,105)(H4,99,100,106)(H3,101,107,137)/b29-24-/t48-,52+,56-,58-,59-,60+,61+,62?,63-,64-,65-,66-,67-,68-/m0/s1 HRRYALJZZOBCEX-QVZKSEFZSA-N 50111970 CHEMBL414085::Pseudopeptide Analogue C-X-C chemokine receptor type 4 27000 ChEMBL 10.1016/s0960-894x(02)00041-0 10.7270/Q24M93TG 11958995 Tamamura, H; Hiramatsu, K; Miyamoto, K; Omagari, A; Oishi, S; Nakashima, H; Yamamoto, N; Kuroda, Y; Nakagawa, T; Otaka, A; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50111970 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50111970&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 91931936 104006492 CHEMBL414085 C04026 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50203113 C[C@H]1\C=C/[C@@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC[C@H](NC(=O)C(CCCNC(N)=O)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCN=C(N)N InChI=1S/C89H141N33O16S2/c1-50-24-31-56(16-4-6-36-90)111-74(128)61(18-5-7-37-91)114-75(129)63(21-11-41-108-87(100)101)117-80(134)67(46-52-28-34-58(124)35-29-52)120-83(137)70(122-81(135)68(47-53-25-30-54-14-2-3-15-55(54)44-53)119-77(131)62(20-10-40-107-86(98)99)113-73(127)59(92)17-8-38-105-84(94)95)49-140-139-48-69(82(136)112-60(71(93)125)19-9-39-106-85(96)97)121-78(132)65(23-13-43-110-89(104)138)115-76(130)64(22-12-42-109-88(102)103)116-79(133)66(118-72(50)126)45-51-26-32-57(123)33-27-51/h2-3,14-15,24-35,44,50,56,59-70,123-124H,4-13,16-23,36-43,45-49,90-92H2,1H3,(H2,93,125)(H,111,128)(H,112,136)(H,113,127)(H,114,129)(H,115,130)(H,116,133)(H,117,134)(H,118,126)(H,119,131)(H,120,137)(H,121,132)(H,122,135)(H4,94,95,105)(H4,96,97,106)(H4,98,99,107)(H4,100,101,108)(H4,102,103,109)(H3,104,110,138)/b31-24-/t50-,56+,59-,60-,61-,62-,63+,64+,65?,66-,67-,68-,69-,70-/m0/s1 ZGZJTXGRYISTHO-ZSWAADIUSA-N 50111969 CHEMBL440638::T140 analogue C-X-C chemokine receptor type 4 5000 ChEMBL 10.1016/s0960-894x(02)00041-0 10.7270/Q24M93TG 11958995 Tamamura, H; Hiramatsu, K; Miyamoto, K; Omagari, A; Oishi, S; Nakashima, H; Yamamoto, N; Kuroda, Y; Nakagawa, T; Otaka, A; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50111969 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50111969&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 91931935 104006491 CHEMBL440638 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50014254 NCCCC[C@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCNC(N)=O)NC1=O)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)c1ccc2ccccc2c1 InChI=1S/C89H138N34O19S2/c90-34-4-3-16-56-72(129)116-61(21-10-41-110-89(103)142)81(138)123-42-12-23-67(123)79(136)119-64(44-49-26-32-54(125)33-27-49)76(133)115-58(18-7-37-106-85(96)97)71(128)113-59(20-9-40-109-88(102)141)73(130)120-65(77(134)117-62(82(139)140)22-11-39-108-87(100)101)46-143-144-47-66(78(135)118-63(43-48-24-30-53(124)31-25-48)75(132)114-57(70(127)112-56)17-6-36-105-84(94)95)121-80(137)68(52-29-28-50-13-1-2-14-51(50)45-52)122-74(131)60(19-8-38-107-86(98)99)111-69(126)55(91)15-5-35-104-83(92)93/h1-2,13-14,24-33,45,55-68,124-125H,3-12,15-23,34-44,46-47,90-91H2,(H,111,126)(H,112,127)(H,113,128)(H,114,132)(H,115,133)(H,116,129)(H,117,134)(H,118,135)(H,119,136)(H,120,130)(H,121,137)(H,122,131)(H,139,140)(H4,92,93,104)(H4,94,95,105)(H4,96,97,106)(H4,98,99,107)(H4,100,101,108)(H3,102,109,141)(H3,103,110,142)/t55-,56+,57-,58-,59-,60-,61-,62-,63+,64-,65+,66+,67+,68-/m0/s1 DAPVWBRHBTWYGS-GFIORFOWSA-N 50102040 CHEMBL2372994::T140 C-X-C chemokine receptor type 4 4 ChEMBL 10.1016/s0960-894x(01)00323-7 10.7270/Q25X29FS 11459656 Tamamura, H; Omagari, A; Hiramatsu, K; Gotoh, K; Kanamoto, T; Xu, Y; Kodama, E; Matsuoka, M; Hattori, T; Yamamoto, N; Nakashima, H; Otaka, A; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50102040 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50102040&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 73353310 103998597 CHEMBL2372994 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50014256 NCCCC[C@H]1NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCCN)NC1=O)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)c1ccc2ccccc2c1 InChI=1S/C89H139N33O18S2/c90-35-5-3-17-58-74(129)116-63(18-4-6-36-91)83(138)122-43-13-24-68(122)81(136)118-65(45-50-27-33-55(124)34-28-50)78(133)115-59(20-9-39-106-86(98)99)73(128)113-61(23-12-42-109-89(103)140)75(130)119-66(79(134)110-57(70(93)125)19-8-38-105-85(96)97)47-141-142-48-67(80(135)117-64(44-49-25-31-54(123)32-26-49)77(132)114-60(72(127)112-58)22-11-41-108-88(102)139)120-82(137)69(53-30-29-51-14-1-2-15-52(51)46-53)121-76(131)62(21-10-40-107-87(100)101)111-71(126)56(92)16-7-37-104-84(94)95/h1-2,14-15,25-34,46,56-69,123-124H,3-13,16-24,35-45,47-48,90-92H2,(H2,93,125)(H,110,134)(H,111,126)(H,112,127)(H,113,128)(H,114,132)(H,115,133)(H,116,129)(H,117,135)(H,118,136)(H,119,130)(H,120,137)(H,121,131)(H4,94,95,104)(H4,96,97,105)(H4,98,99,106)(H4,100,101,107)(H3,102,108,139)(H3,103,109,140)/t56-,57-,58+,59-,60-,61-,62-,63-,64+,65-,66+,67+,68+,69-/m0/s1 WJNCVOLBAKWJCB-ZCCUMRHQSA-N 50102037 CHEMBL2372993::Derivative of T140 peptide C-X-C chemokine receptor type 4 0.600000 ChEMBL 10.1016/s0960-894x(01)00323-7 10.7270/Q25X29FS 11459656 Tamamura, H; Omagari, A; Hiramatsu, K; Gotoh, K; Kanamoto, T; Xu, Y; Kodama, E; Matsuoka, M; Hattori, T; Yamamoto, N; Nakashima, H; Otaka, A; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50102037 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50102037&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 73350320 103998594 CHEMBL2372993 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50583434 NCCCC[C@H]1NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCNC(N)=O)NC1=O)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)c1ccc2ccccc2c1 InChI=1S/C89H138N34O19S2/c90-34-4-3-16-57-73(130)117-62(22-11-41-110-89(103)142)82(139)123-42-12-23-67(123)80(137)119-64(44-49-26-32-54(125)33-27-49)77(134)116-58(18-7-37-106-85(97)98)72(129)114-60(21-10-40-109-88(102)141)74(131)120-65(78(135)111-56(69(92)126)17-6-36-105-84(95)96)46-143-144-47-66(79(136)118-63(43-48-24-30-53(124)31-25-48)76(133)115-59(71(128)113-57)20-9-39-108-87(101)140)121-81(138)68(52-29-28-50-13-1-2-14-51(50)45-52)122-75(132)61(19-8-38-107-86(99)100)112-70(127)55(91)15-5-35-104-83(93)94/h1-2,13-14,24-33,45,55-68,124-125H,3-12,15-23,34-44,46-47,90-91H2,(H2,92,126)(H,111,135)(H,112,127)(H,113,128)(H,114,129)(H,115,133)(H,116,134)(H,117,130)(H,118,136)(H,119,137)(H,120,131)(H,121,138)(H,122,132)(H4,93,94,104)(H4,95,96,105)(H4,97,98,106)(H4,99,100,107)(H3,101,108,140)(H3,102,109,141)(H3,103,110,142)/t55-,56-,57+,58-,59-,60-,61-,62-,63+,64-,65+,66+,67+,68-/m0/s1 LPVMQSNXTREYEL-ACFTWUOWSA-N 50102036 CHEMBL2372985::Derivative of T140 peptide C-X-C chemokine receptor type 4 0.400000 ChEMBL 10.1016/s0960-894x(01)00323-7 10.7270/Q25X29FS 11459656 Tamamura, H; Omagari, A; Hiramatsu, K; Gotoh, K; Kanamoto, T; Xu, Y; Kodama, E; Matsuoka, M; Hattori, T; Yamamoto, N; Nakashima, H; Otaka, A; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50102036 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50102036&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 73356370 103998593 CHEMBL2372985 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50583435 NCCCC[C@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCCN)NC1=O)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)c1ccc2ccccc2c1 InChI=1S/C89H139N33O18S2/c90-35-5-3-17-57-73(128)115-62(18-4-6-36-91)82(137)122-43-13-24-68(122)80(135)118-65(45-50-27-33-55(124)34-28-50)77(132)114-59(20-9-39-106-86(97)98)72(127)112-60(22-11-42-109-89(103)140)74(129)119-66(78(133)116-63(83(138)139)23-12-41-108-88(101)102)47-141-142-48-67(79(134)117-64(44-49-25-31-54(123)32-26-49)76(131)113-58(71(126)111-57)19-8-38-105-85(95)96)120-81(136)69(53-30-29-51-14-1-2-15-52(51)46-53)121-75(130)61(21-10-40-107-87(99)100)110-70(125)56(92)16-7-37-104-84(93)94/h1-2,14-15,25-34,46,56-69,123-124H,3-13,16-24,35-45,47-48,90-92H2,(H,110,125)(H,111,126)(H,112,127)(H,113,131)(H,114,132)(H,115,128)(H,116,133)(H,117,134)(H,118,135)(H,119,129)(H,120,136)(H,121,130)(H,138,139)(H4,93,94,104)(H4,95,96,105)(H4,97,98,106)(H4,99,100,107)(H4,101,102,108)(H3,103,109,140)/t56-,57+,58-,59-,60-,61-,62-,63-,64+,65-,66+,67+,68+,69-/m0/s1 DRRZOHRPEXLSPD-UHMPCPRASA-N 50096735 CHEMBL2372983::Compound T140 C-X-C chemokine receptor type 4 10 ChEMBL 10.1016/s0960-894x(01)00323-7 10.7270/Q25X29FS 11459656 Tamamura, H; Omagari, A; Hiramatsu, K; Gotoh, K; Kanamoto, T; Xu, Y; Kodama, E; Matsuoka, M; Hattori, T; Yamamoto, N; Nakashima, H; Otaka, A; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50096735 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50096735&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 73353307 103994214 CHEMBL2372983 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50583436 NCCCC[C@H]1NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCNC(N)=O)NC1=O)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)c1ccc2ccccc2c1 InChI=1S/C89H137N33O20S2/c90-34-4-3-16-56-72(128)115-61(21-10-41-109-89(102)142)81(137)122-42-12-23-67(122)79(135)118-64(44-49-26-32-54(124)33-27-49)76(132)114-57(17-6-36-104-84(94)95)71(127)112-59(20-9-40-108-88(101)141)73(129)119-65(77(133)116-62(82(138)139)22-11-38-106-86(98)99)46-143-144-47-66(78(134)117-63(43-48-24-30-53(123)31-25-48)75(131)113-58(70(126)111-56)19-8-39-107-87(100)140)120-80(136)68(52-29-28-50-13-1-2-14-51(50)45-52)121-74(130)60(18-7-37-105-85(96)97)110-69(125)55(91)15-5-35-103-83(92)93/h1-2,13-14,24-33,45,55-68,123-124H,3-12,15-23,34-44,46-47,90-91H2,(H,110,125)(H,111,126)(H,112,127)(H,113,131)(H,114,132)(H,115,128)(H,116,133)(H,117,134)(H,118,135)(H,119,129)(H,120,136)(H,121,130)(H,138,139)(H4,92,93,103)(H4,94,95,104)(H4,96,97,105)(H4,98,99,106)(H3,100,107,140)(H3,101,108,141)(H3,102,109,142)/t55-,56+,57-,58-,59-,60-,61-,62-,63+,64-,65+,66+,67+,68-/m0/s1 VZVSUSHHLMPTMM-GFIORFOWSA-N 50102035 CHEMBL2372997::Derivative of T140 peptide C-X-C chemokine receptor type 4 0.500000 ChEMBL 10.1016/s0960-894x(01)00323-7 10.7270/Q25X29FS 11459656 Tamamura, H; Omagari, A; Hiramatsu, K; Gotoh, K; Kanamoto, T; Xu, Y; Kodama, E; Matsuoka, M; Hattori, T; Yamamoto, N; Nakashima, H; Otaka, A; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50102035 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50102035&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 73351835 103998592 CHEMBL2372997 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50583437 NCCCC[C@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCNC(N)=O)NC1=O)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)c1ccc2ccccc2c1 InChI=1S/C89H139N35O18S2/c90-34-4-3-16-57-73(131)118-62(22-11-41-111-89(104)142)82(140)124-42-12-23-67(124)80(138)120-64(44-49-26-32-54(126)33-27-49)77(135)117-59(19-8-38-108-86(99)100)72(130)115-60(21-10-40-110-88(103)141)74(132)121-65(78(136)112-56(69(92)127)17-6-36-106-84(95)96)46-143-144-47-66(79(137)119-63(43-48-24-30-53(125)31-25-48)76(134)116-58(71(129)114-57)18-7-37-107-85(97)98)122-81(139)68(52-29-28-50-13-1-2-14-51(50)45-52)123-75(133)61(20-9-39-109-87(101)102)113-70(128)55(91)15-5-35-105-83(93)94/h1-2,13-14,24-33,45,55-68,125-126H,3-12,15-23,34-44,46-47,90-91H2,(H2,92,127)(H,112,136)(H,113,128)(H,114,129)(H,115,130)(H,116,134)(H,117,135)(H,118,131)(H,119,137)(H,120,138)(H,121,132)(H,122,139)(H,123,133)(H4,93,94,105)(H4,95,96,106)(H4,97,98,107)(H4,99,100,108)(H4,101,102,109)(H3,103,110,141)(H3,104,111,142)/t55-,56-,57+,58-,59-,60-,61-,62-,63+,64-,65+,66+,67+,68-/m0/s1 IUJHSRQXKMWHKL-ACFTWUOWSA-N 50102032 CHEMBL2373001::Derivative of T140 peptide C-X-C chemokine receptor type 4 4.6 ChEMBL 10.1016/s0960-894x(01)00323-7 10.7270/Q25X29FS 11459656 Tamamura, H; Omagari, A; Hiramatsu, K; Gotoh, K; Kanamoto, T; Xu, Y; Kodama, E; Matsuoka, M; Hattori, T; Yamamoto, N; Nakashima, H; Otaka, A; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50102032 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50102032&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 73348746 103998589 CHEMBL2373001 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50583438 NCCCC[C@H]1NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCCN)NC1=O)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)c1ccc2ccccc2c1 InChI=1S/C89H138N32O19S2/c90-35-5-3-17-57-73(127)114-62(18-4-6-36-91)82(136)121-43-13-24-68(121)80(134)117-65(45-50-27-33-55(123)34-28-50)77(131)113-58(19-8-38-104-85(95)96)72(126)111-60(22-11-42-108-89(102)140)74(128)118-66(78(132)115-63(83(137)138)23-12-40-106-87(99)100)47-141-142-48-67(79(133)116-64(44-49-25-31-54(122)32-26-49)76(130)112-59(71(125)110-57)21-10-41-107-88(101)139)119-81(135)69(53-30-29-51-14-1-2-15-52(51)46-53)120-75(129)61(20-9-39-105-86(97)98)109-70(124)56(92)16-7-37-103-84(93)94/h1-2,14-15,25-34,46,56-69,122-123H,3-13,16-24,35-45,47-48,90-92H2,(H,109,124)(H,110,125)(H,111,126)(H,112,130)(H,113,131)(H,114,127)(H,115,132)(H,116,133)(H,117,134)(H,118,128)(H,119,135)(H,120,129)(H,137,138)(H4,93,94,103)(H4,95,96,104)(H4,97,98,105)(H4,99,100,106)(H3,101,107,139)(H3,102,108,140)/t56-,57+,58-,59-,60-,61-,62-,63-,64+,65-,66+,67+,68+,69-/m0/s1 JSIPFRDOHITRQJ-UHMPCPRASA-N 50102044 CHEMBL2373002::Derivative of T140 peptide C-X-C chemokine receptor type 4 2.8 ChEMBL 10.1016/s0960-894x(01)00323-7 10.7270/Q25X29FS 11459656 Tamamura, H; Omagari, A; Hiramatsu, K; Gotoh, K; Kanamoto, T; Xu, Y; Kodama, E; Matsuoka, M; Hattori, T; Yamamoto, N; Nakashima, H; Otaka, A; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50102044 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50102044&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 73354823 103998601 CHEMBL2373002 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50542360 NC(=N)NCCCC[C@@H]1CS[C@@H]2CN(CCc3ccc4ccccc4c3)C(=O)[C@H](CCCNC(N)=N)N2C1=O InChI=1S/C28H40N8O2S/c29-27(30)33-13-4-3-8-22-18-39-24-17-35(15-12-19-10-11-20-6-1-2-7-21(20)16-19)26(38)23(36(24)25(22)37)9-5-14-34-28(31)32/h1-2,6-7,10-11,16,22-24H,3-5,8-9,12-15,17-18H2,(H4,29,30,33)(H4,31,32,34)/t22-,23+,24-/m1/s1 JYYWRSQBZZNIIO-TZRRMPRUSA-N 50207528 CHEMBL3925060 C-X-C chemokine receptor type 4 >100000 ChEMBL 10.1016/j.bmc.2016.11.036 10.7270/Q2RV0QPQ 27939345 Baumann, M; Hussain, MM; Henne, N; Garrote, DM; Karlshøj, S; Fossen, T; Rosenkilde, MM; Våbenø, J; Haug, BE University of Bergen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50207528 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50207528&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 134141938 375981739 CHEMBL3925060 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50542361 NC(=N)NCCC[C@@H]1N2[C@@H](CN(CCc3ccc4ccccc4c3)C1=O)SC[C@@H](CCNC(N)=N)C2=O InChI=1S/C26H36N8O2S/c27-25(28)31-11-3-6-21-24(36)33(13-10-17-7-8-18-4-1-2-5-19(18)14-17)15-22-34(21)23(35)20(16-37-22)9-12-32-26(29)30/h1-2,4-5,7-8,14,20-22H,3,6,9-13,15-16H2,(H4,27,28,31)(H4,29,30,32)/t20-,21+,22-/m1/s1 ADYXKLLICWPDPD-BHIFYINESA-N 50207529 CHEMBL3933958 C-X-C chemokine receptor type 4 >100000 ChEMBL 10.1016/j.bmc.2016.11.036 10.7270/Q2RV0QPQ 27939345 Baumann, M; Hussain, MM; Henne, N; Garrote, DM; Karlshøj, S; Fossen, T; Rosenkilde, MM; Våbenø, J; Haug, BE University of Bergen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50207529 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50207529&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 134138415 375981740 CHEMBL3933958 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50542362 NC(=N)NCCCC[C@@H]1N2[C@H](CN(CCc3ccc4ccccc4c3)C1=O)SC[C@H](CCNC(N)=N)C2=O InChI=1S/C27H38N8O2S/c28-26(29)32-12-4-3-7-22-25(37)34(14-11-18-8-9-19-5-1-2-6-20(19)15-18)16-23-35(22)24(36)21(17-38-23)10-13-33-27(30)31/h1-2,5-6,8-9,15,21-23H,3-4,7,10-14,16-17H2,(H4,28,29,32)(H4,30,31,33)/t21-,22-,23-/m0/s1 FPAHXUWMNPQZDD-VABKMULXSA-N 50207530 CHEMBL3930236 C-X-C chemokine receptor type 4 >100000 ChEMBL 10.1016/j.bmc.2016.11.036 10.7270/Q2RV0QPQ 27939345 Baumann, M; Hussain, MM; Henne, N; Garrote, DM; Karlshøj, S; Fossen, T; Rosenkilde, MM; Våbenø, J; Haug, BE University of Bergen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50207530 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50207530&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 134139045 375981741 CHEMBL3930236 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50542363 NC(=N)NCCCC[C@@H]1CS[C@@H]2CN(CCc3ccc4ccccc4c3)C(=O)[C@H](CCCNC(N)=N)N2C1=O InChI=1S/C28H40N8O2S/c29-27(30)33-13-4-3-8-22-18-39-24-17-35(15-12-19-10-11-20-6-1-2-7-21(20)16-19)26(38)23(36(24)25(22)37)9-5-14-34-28(31)32/h1-2,6-7,10-11,16,22-24H,3-5,8-9,12-15,17-18H2,(H4,29,30,33)(H4,31,32,34)/t22-,23+,24-/m1/s1 JYYWRSQBZZNIIO-TZRRMPRUSA-N 50207528 CHEMBL3925060 C-X-C chemokine receptor type 4 >100000 ChEMBL 10.1016/j.bmc.2016.11.036 10.7270/Q2RV0QPQ 27939345 Baumann, M; Hussain, MM; Henne, N; Garrote, DM; Karlshøj, S; Fossen, T; Rosenkilde, MM; Våbenø, J; Haug, BE University of Bergen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50207528 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50207528&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 134141938 375981739 CHEMBL3925060 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50542364 NC(=N)NCCC[C@@H]1N2[C@H](CN(CCc3ccc4ccccc4c3)C1=O)SC[C@H](CCNC(N)=N)C2=O InChI=1S/C26H36N8O2S/c27-25(28)31-11-3-6-21-24(36)33(13-10-17-7-8-18-4-1-2-5-19(18)14-17)15-22-34(21)23(35)20(16-37-22)9-12-32-26(29)30/h1-2,4-5,7-8,14,20-22H,3,6,9-13,15-16H2,(H4,27,28,31)(H4,29,30,32)/t20-,21-,22-/m0/s1 ADYXKLLICWPDPD-FKBYEOEOSA-N 50207531 CHEMBL3897010 C-X-C chemokine receptor type 4 >100000 ChEMBL 10.1016/j.bmc.2016.11.036 10.7270/Q2RV0QPQ 27939345 Baumann, M; Hussain, MM; Henne, N; Garrote, DM; Karlshøj, S; Fossen, T; Rosenkilde, MM; Våbenø, J; Haug, BE University of Bergen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50207531 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50207531&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 134134445 375981742 CHEMBL3897010 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50542365 NC(=N)NCCCC[C@@H]1N2[C@H](CN(CCc3ccc4ccccc4c3)C1=O)SC[C@H](CCCNC(N)=N)C2=O InChI=1S/C28H40N8O2S/c29-27(30)33-13-4-3-9-23-26(38)35(15-12-19-10-11-20-6-1-2-7-21(20)16-19)17-24-36(23)25(37)22(18-39-24)8-5-14-34-28(31)32/h1-2,6-7,10-11,16,22-24H,3-5,8-9,12-15,17-18H2,(H4,29,30,33)(H4,31,32,34)/t22-,23-,24-/m0/s1 UEMPXCVRPBVHGP-HJOGWXRNSA-N 50207532 CHEMBL3939235 C-X-C chemokine receptor type 4 >100000 ChEMBL 10.1016/j.bmc.2016.11.036 10.7270/Q2RV0QPQ 27939345 Baumann, M; Hussain, MM; Henne, N; Garrote, DM; Karlshøj, S; Fossen, T; Rosenkilde, MM; Våbenø, J; Haug, BE University of Bergen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50207532 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50207532&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 134148939 375981743 CHEMBL3939235 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50542366 NC(=N)NCCCC1CSC2CN(Cc3ccc4ccccc4c3Br)C(=O)[C@H](CCCNC(N)=N)N2C1=O InChI=1S/C26H35BrN8O2S/c27-22-17(10-9-16-5-1-2-7-19(16)22)13-34-14-21-35(20(24(34)37)8-4-12-33-26(30)31)23(36)18(15-38-21)6-3-11-32-25(28)29/h1-2,5,7,9-10,18,20-21H,3-4,6,8,11-15H2,(H4,28,29,32)(H4,30,31,33)/t18?,20-,21?/m0/s1 MQSKYOSMERCKOO-CKHPTIKVSA-N 50207533 CHEMBL3956669 C-X-C chemokine receptor type 4 61660 ChEMBL 10.1016/j.bmc.2016.11.036 10.7270/Q2RV0QPQ 27939345 Baumann, M; Hussain, MM; Henne, N; Garrote, DM; Karlshøj, S; Fossen, T; Rosenkilde, MM; Våbenø, J; Haug, BE University of Bergen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50207533 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50207533&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 134144488 375981744 CHEMBL3956669 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50542367 NC(=N)NCCC[C@@H]1N2[C@H](CN(CCc3ccc4ccccc4c3)C1=O)SC[C@H](CCNC(N)=N)C2=O InChI=1S/C26H36N8O2S/c27-25(28)31-11-3-6-21-24(36)33(13-10-17-7-8-18-4-1-2-5-19(18)14-17)15-22-34(21)23(35)20(16-37-22)9-12-32-26(29)30/h1-2,4-5,7-8,14,20-22H,3,6,9-13,15-16H2,(H4,27,28,31)(H4,29,30,32)/t20-,21-,22-/m0/s1 ADYXKLLICWPDPD-FKBYEOEOSA-N 50207531 CHEMBL3897010 C-X-C chemokine receptor type 4 >100000 ChEMBL 10.1016/j.bmc.2016.11.036 10.7270/Q2RV0QPQ 27939345 Baumann, M; Hussain, MM; Henne, N; Garrote, DM; Karlshøj, S; Fossen, T; Rosenkilde, MM; Våbenø, J; Haug, BE University of Bergen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50207531 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50207531&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 134134445 375981742 CHEMBL3897010 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50542368 NC(=N)NCCCC[C@H]1CS[C@H]2CN(CCc3ccc4ccccc4c3)C(=O)[C@H](CCCNC(N)=N)N2C1=O InChI=1S/C28H40N8O2S/c29-27(30)33-13-4-3-8-22-18-39-24-17-35(15-12-19-10-11-20-6-1-2-7-21(20)16-19)26(38)23(36(24)25(22)37)9-5-14-34-28(31)32/h1-2,6-7,10-11,16,22-24H,3-5,8-9,12-15,17-18H2,(H4,29,30,33)(H4,31,32,34)/t22-,23-,24-/m0/s1 JYYWRSQBZZNIIO-HJOGWXRNSA-N 50207534 CHEMBL3957870 C-X-C chemokine receptor type 4 >100000 ChEMBL 10.1016/j.bmc.2016.11.036 10.7270/Q2RV0QPQ 27939345 Baumann, M; Hussain, MM; Henne, N; Garrote, DM; Karlshøj, S; Fossen, T; Rosenkilde, MM; Våbenø, J; Haug, BE University of Bergen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50207534 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50207534&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 134154825 375981745 CHEMBL3957870 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50542369 NC(=N)NCCCC1CSC2CN(Cc3ccc4ccccc4c3)C(=O)[C@H](CCCNC(N)=N)N2C1=O InChI=1S/C26H36N8O2S/c27-25(28)31-11-3-7-20-16-37-22-15-33(14-17-9-10-18-5-1-2-6-19(18)13-17)24(36)21(34(22)23(20)35)8-4-12-32-26(29)30/h1-2,5-6,9-10,13,20-22H,3-4,7-8,11-12,14-16H2,(H4,27,28,31)(H4,29,30,32)/t20?,21-,22?/m0/s1 AXUYHQGZBGMDGJ-ORFBVSJDSA-N 50207535 CHEMBL3902257 C-X-C chemokine receptor type 4 >100000 ChEMBL 10.1016/j.bmc.2016.11.036 10.7270/Q2RV0QPQ 27939345 Baumann, M; Hussain, MM; Henne, N; Garrote, DM; Karlshøj, S; Fossen, T; Rosenkilde, MM; Våbenø, J; Haug, BE University of Bergen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50207535 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50207535&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 134135691 375981746 CHEMBL3902257 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50542370 NC(=N)NCCCC1CSC2CN(Cc3ccc4ccccc4c3Br)C(=O)[C@H](CCCNC(N)=N)N2C1=O InChI=1S/C26H35BrN8O2S/c27-22-17(10-9-16-5-1-2-7-19(16)22)13-34-14-21-35(20(24(34)37)8-4-12-33-26(30)31)23(36)18(15-38-21)6-3-11-32-25(28)29/h1-2,5,7,9-10,18,20-21H,3-4,6,8,11-15H2,(H4,28,29,32)(H4,30,31,33)/t18?,20-,21?/m0/s1 MQSKYOSMERCKOO-CKHPTIKVSA-N 50207533 CHEMBL3956669 C-X-C chemokine receptor type 4 61000 ChEMBL 10.1016/j.bmc.2016.11.036 10.7270/Q2RV0QPQ 27939345 Baumann, M; Hussain, MM; Henne, N; Garrote, DM; Karlshøj, S; Fossen, T; Rosenkilde, MM; Våbenø, J; Haug, BE University of Bergen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50207533 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50207533&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 134144488 375981744 CHEMBL3956669 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50542371 NC(=N)NCCCC1CSC2CN(Cc3cccc4ccccc34)C(=O)[C@H](CCCNC(N)=N)N2C1=O InChI=1S/C26H36N8O2S/c27-25(28)31-12-4-9-19-16-37-22-15-33(14-18-8-3-7-17-6-1-2-10-20(17)18)24(36)21(34(22)23(19)35)11-5-13-32-26(29)30/h1-3,6-8,10,19,21-22H,4-5,9,11-16H2,(H4,27,28,31)(H4,29,30,32)/t19?,21-,22?/m0/s1 KPDKGUVBBDLHIA-IRQNMHNUSA-N 50207536 CHEMBL3929127 C-X-C chemokine receptor type 4 >100000 ChEMBL 10.1016/j.bmc.2016.11.036 10.7270/Q2RV0QPQ 27939345 Baumann, M; Hussain, MM; Henne, N; Garrote, DM; Karlshøj, S; Fossen, T; Rosenkilde, MM; Våbenø, J; Haug, BE University of Bergen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50207536 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50207536&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 134142005 375981747 CHEMBL3929127 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50542372 NC(=N)NCCCC[C@@H]1N2[C@@H](CN(CCc3ccc4ccccc4c3)C1=O)SC[C@@H](CCNC(N)=N)C2=O InChI=1S/C27H38N8O2S/c28-26(29)32-12-4-3-7-22-25(37)34(14-11-18-8-9-19-5-1-2-6-20(19)15-18)16-23-35(22)24(36)21(17-38-23)10-13-33-27(30)31/h1-2,5-6,8-9,15,21-23H,3-4,7,10-14,16-17H2,(H4,28,29,32)(H4,30,31,33)/t21-,22+,23-/m1/s1 FPAHXUWMNPQZDD-XPWALMASSA-N 50207537 CHEMBL3911275 C-X-C chemokine receptor type 4 >100000 ChEMBL 10.1016/j.bmc.2016.11.036 10.7270/Q2RV0QPQ 27939345 Baumann, M; Hussain, MM; Henne, N; Garrote, DM; Karlshøj, S; Fossen, T; Rosenkilde, MM; Våbenø, J; Haug, BE University of Bergen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50207537 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50207537&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 134132563 375981748 CHEMBL3911275 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50542373 NC(=N)NCCCC1CSC2CN(Cc3cccc4ccccc34)C(=O)[C@H](CCCNC(N)=N)N2C1=O InChI=1S/C26H36N8O2S/c27-25(28)31-12-4-9-19-16-37-22-15-33(14-18-8-3-7-17-6-1-2-10-20(17)18)24(36)21(34(22)23(19)35)11-5-13-32-26(29)30/h1-3,6-8,10,19,21-22H,4-5,9,11-16H2,(H4,27,28,31)(H4,29,30,32)/t19?,21-,22?/m0/s1 KPDKGUVBBDLHIA-IRQNMHNUSA-N 50207536 CHEMBL3929127 C-X-C chemokine receptor type 4 >100000 ChEMBL 10.1016/j.bmc.2016.11.036 10.7270/Q2RV0QPQ 27939345 Baumann, M; Hussain, MM; Henne, N; Garrote, DM; Karlshøj, S; Fossen, T; Rosenkilde, MM; Våbenø, J; Haug, BE University of Bergen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50207536 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50207536&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 134142005 375981747 CHEMBL3929127 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50542374 NC(=N)NCCCC[C@H]1CS[C@H]2CN(CCc3ccc4ccccc4c3)C(=O)[C@H](CCCNC(N)=N)N2C1=O InChI=1S/C28H40N8O2S/c29-27(30)33-13-4-3-8-22-18-39-24-17-35(15-12-19-10-11-20-6-1-2-7-21(20)16-19)26(38)23(36(24)25(22)37)9-5-14-34-28(31)32/h1-2,6-7,10-11,16,22-24H,3-5,8-9,12-15,17-18H2,(H4,29,30,33)(H4,31,32,34)/t22-,23-,24-/m0/s1 JYYWRSQBZZNIIO-HJOGWXRNSA-N 50207534 CHEMBL3957870 C-X-C chemokine receptor type 4 >100000 ChEMBL 10.1016/j.bmc.2016.11.036 10.7270/Q2RV0QPQ 27939345 Baumann, M; Hussain, MM; Henne, N; Garrote, DM; Karlshøj, S; Fossen, T; Rosenkilde, MM; Våbenø, J; Haug, BE University of Bergen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50207534 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50207534&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 134154825 375981745 CHEMBL3957870 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50542375 NC(=N)NCCCC[C@@H]1N2[C@@H](CN(CCc3ccc4ccccc4c3)C1=O)SC[C@@H](CCCNC(N)=N)C2=O InChI=1S/C28H40N8O2S/c29-27(30)33-13-4-3-9-23-26(38)35(15-12-19-10-11-20-6-1-2-7-21(20)16-19)17-24-36(23)25(37)22(18-39-24)8-5-14-34-28(31)32/h1-2,6-7,10-11,16,22-24H,3-5,8-9,12-15,17-18H2,(H4,29,30,33)(H4,31,32,34)/t22-,23+,24-/m1/s1 UEMPXCVRPBVHGP-TZRRMPRUSA-N 50207538 CHEMBL3931202 C-X-C chemokine receptor type 4 >100000 ChEMBL 10.1016/j.bmc.2016.11.036 10.7270/Q2RV0QPQ 27939345 Baumann, M; Hussain, MM; Henne, N; Garrote, DM; Karlshøj, S; Fossen, T; Rosenkilde, MM; Våbenø, J; Haug, BE University of Bergen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50207538 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50207538&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 134138258 375981749 CHEMBL3931202 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50542376 NC(=N)NCCCC1CSC2CN(Cc3ccc4ccccc4c3)C(=O)[C@H](CCCNC(N)=N)N2C1=O InChI=1S/C26H36N8O2S/c27-25(28)31-11-3-7-20-16-37-22-15-33(14-17-9-10-18-5-1-2-6-19(18)13-17)24(36)21(34(22)23(20)35)8-4-12-32-26(29)30/h1-2,5-6,9-10,13,20-22H,3-4,7-8,11-12,14-16H2,(H4,27,28,31)(H4,29,30,32)/t20?,21-,22?/m0/s1 AXUYHQGZBGMDGJ-ORFBVSJDSA-N 50207535 CHEMBL3902257 C-X-C chemokine receptor type 4 >100000 ChEMBL 10.1016/j.bmc.2016.11.036 10.7270/Q2RV0QPQ 27939345 Baumann, M; Hussain, MM; Henne, N; Garrote, DM; Karlshøj, S; Fossen, T; Rosenkilde, MM; Våbenø, J; Haug, BE University of Bergen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50207535 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50207535&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 134135691 375981746 CHEMBL3902257 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50542377 NC(=N)NCCC[C@@H]1N2[C@@H](CN(CCc3ccc4ccccc4c3)C1=O)SC[C@@H](CCNC(N)=N)C2=O InChI=1S/C26H36N8O2S/c27-25(28)31-11-3-6-21-24(36)33(13-10-17-7-8-18-4-1-2-5-19(18)14-17)15-22-34(21)23(35)20(16-37-22)9-12-32-26(29)30/h1-2,4-5,7-8,14,20-22H,3,6,9-13,15-16H2,(H4,27,28,31)(H4,29,30,32)/t20-,21+,22-/m1/s1 ADYXKLLICWPDPD-BHIFYINESA-N 50207529 CHEMBL3933958 C-X-C chemokine receptor type 4 >100000 ChEMBL 10.1016/j.bmc.2016.11.036 10.7270/Q2RV0QPQ 27939345 Baumann, M; Hussain, MM; Henne, N; Garrote, DM; Karlshøj, S; Fossen, T; Rosenkilde, MM; Våbenø, J; Haug, BE University of Bergen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50207529 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50207529&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 134138415 375981740 CHEMBL3933958 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50542378 NC(=N)NCCCC[C@@H]1N2[C@H](CN(CCc3ccc4ccccc4c3)C1=O)SC[C@H](CCCNC(N)=N)C2=O InChI=1S/C28H40N8O2S/c29-27(30)33-13-4-3-9-23-26(38)35(15-12-19-10-11-20-6-1-2-7-21(20)16-19)17-24-36(23)25(37)22(18-39-24)8-5-14-34-28(31)32/h1-2,6-7,10-11,16,22-24H,3-5,8-9,12-15,17-18H2,(H4,29,30,33)(H4,31,32,34)/t22-,23-,24-/m0/s1 UEMPXCVRPBVHGP-HJOGWXRNSA-N 50207532 CHEMBL3939235 C-X-C chemokine receptor type 4 >100000 ChEMBL 10.1016/j.bmc.2016.11.036 10.7270/Q2RV0QPQ 27939345 Baumann, M; Hussain, MM; Henne, N; Garrote, DM; Karlshøj, S; Fossen, T; Rosenkilde, MM; Våbenø, J; Haug, BE University of Bergen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50207532 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50207532&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 134148939 375981743 CHEMBL3939235 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50542379 NC(=N)NCCCC[C@@H]1N2[C@@H](CN(CCc3ccc4ccccc4c3)C1=O)SC[C@@H](CCNC(N)=N)C2=O InChI=1S/C27H38N8O2S/c28-26(29)32-12-4-3-7-22-25(37)34(14-11-18-8-9-19-5-1-2-6-20(19)15-18)16-23-35(22)24(36)21(17-38-23)10-13-33-27(30)31/h1-2,5-6,8-9,15,21-23H,3-4,7,10-14,16-17H2,(H4,28,29,32)(H4,30,31,33)/t21-,22+,23-/m1/s1 FPAHXUWMNPQZDD-XPWALMASSA-N 50207537 CHEMBL3911275 C-X-C chemokine receptor type 4 >100000 ChEMBL 10.1016/j.bmc.2016.11.036 10.7270/Q2RV0QPQ 27939345 Baumann, M; Hussain, MM; Henne, N; Garrote, DM; Karlshøj, S; Fossen, T; Rosenkilde, MM; Våbenø, J; Haug, BE University of Bergen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50207537 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50207537&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 134132563 375981748 CHEMBL3911275 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50542380 NC(=N)NCCCC[C@@H]1N2[C@@H](CN(CCc3ccc4ccccc4c3)C1=O)SC[C@@H](CCCNC(N)=N)C2=O InChI=1S/C28H40N8O2S/c29-27(30)33-13-4-3-9-23-26(38)35(15-12-19-10-11-20-6-1-2-7-21(20)16-19)17-24-36(23)25(37)22(18-39-24)8-5-14-34-28(31)32/h1-2,6-7,10-11,16,22-24H,3-5,8-9,12-15,17-18H2,(H4,29,30,33)(H4,31,32,34)/t22-,23+,24-/m1/s1 UEMPXCVRPBVHGP-TZRRMPRUSA-N 50207538 CHEMBL3931202 C-X-C chemokine receptor type 4 >100000 ChEMBL 10.1016/j.bmc.2016.11.036 10.7270/Q2RV0QPQ 27939345 Baumann, M; Hussain, MM; Henne, N; Garrote, DM; Karlshøj, S; Fossen, T; Rosenkilde, MM; Våbenø, J; Haug, BE University of Bergen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50207538 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50207538&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 134138258 375981749 CHEMBL3931202 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50542381 NC(=N)NCCCC[C@@H]1N2[C@H](CN(CCc3ccc4ccccc4c3)C1=O)SC[C@H](CCNC(N)=N)C2=O InChI=1S/C27H38N8O2S/c28-26(29)32-12-4-3-7-22-25(37)34(14-11-18-8-9-19-5-1-2-6-20(19)15-18)16-23-35(22)24(36)21(17-38-23)10-13-33-27(30)31/h1-2,5-6,8-9,15,21-23H,3-4,7,10-14,16-17H2,(H4,28,29,32)(H4,30,31,33)/t21-,22-,23-/m0/s1 FPAHXUWMNPQZDD-VABKMULXSA-N 50207530 CHEMBL3930236 C-X-C chemokine receptor type 4 >100000 ChEMBL 10.1016/j.bmc.2016.11.036 10.7270/Q2RV0QPQ 27939345 Baumann, M; Hussain, MM; Henne, N; Garrote, DM; Karlshøj, S; Fossen, T; Rosenkilde, MM; Våbenø, J; Haug, BE University of Bergen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50207530 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50207530&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 134139045 375981741 CHEMBL3930236 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50785331 C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O InChI=1S/C44H63N15O9S2/c1-23(53-36(62)29(54-24(2)60)11-7-15-50-42(45)46)35(61)58-33-21-69-70-44(3,4)34(41(67)68)59-39(65)32(19-28-20-49-22-52-28)57-38(64)31(18-25-13-14-26-9-5-6-10-27(26)17-25)56-37(63)30(55-40(33)66)12-8-16-51-43(47)48/h5-6,9-10,13-14,17,20,22-23,29-34H,7-8,11-12,15-16,18-19,21H2,1-4H3,(H,49,52)(H,53,62)(H,54,60)(H,55,66)(H,56,63)(H,57,64)(H,58,61)(H,59,65)(H,67,68)(H4,45,46,50)(H4,47,48,51)/t23-,29-,30-,31-,32-,33+,34+/m0/s1 NNMRHUJKYQIREP-MYHBJLNCSA-N 50250704 CHEMBL4089168 C-X-C chemokine receptor type 4 20 ChEMBL 10.1021/acs.jmedchem.7b01062 10.7270/Q28S4SBJ 29125295 Di Maro, S; Di Leva, FS; Trotta, AM; Brancaccio, D; Portella, L; Aurilio, M; Tomassi, S; Messere, A; Sementa, D; Lastoria, S; Carotenuto, A; Novellino, E; Scala, S; Marinelli, L University of Campania http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50250704 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50250704&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 131801411 401962359 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50785348 C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O InChI=1S/C41H59N13O9S2/c1-23(48-34(57)27(49-24(2)55)15-9-17-46-40(42)43)33(56)53-31-21-64-65-22-32(39(62)63)54-37(60)30(20-26-13-7-4-8-14-26)52-36(59)29(19-25-11-5-3-6-12-25)51-35(58)28(50-38(31)61)16-10-18-47-41(44)45/h3-8,11-14,23,27-32H,9-10,15-22H2,1-2H3,(H,48,57)(H,49,55)(H,50,61)(H,51,58)(H,52,59)(H,53,56)(H,54,60)(H,62,63)(H4,42,43,46)(H4,44,45,47)/t23-,27-,28-,29-,30-,31+,32-/m0/s1 LUDUMCCMFRYVOR-ZYELEKFWSA-N 50192468 CHEMBL3923282 C-X-C chemokine receptor type 4 338 ChEMBL 10.1021/acs.jmedchem.7b01062 10.7270/Q28S4SBJ 29125295 Di Maro, S; Di Leva, FS; Trotta, AM; Brancaccio, D; Portella, L; Aurilio, M; Tomassi, S; Messere, A; Sementa, D; Lastoria, S; Carotenuto, A; Novellino, E; Scala, S; Marinelli, L University of Campania http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50192468 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50192468&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 121595994 104075358 CHEMBL3923282 ZINC27761359 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50877215 CN1[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N2CCC[C@H]2C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCN)C1=O InChI=1S/C39H51N9O6/c1-47-32(10-5-19-43-39(41)42)35(51)46-31(23-25-12-15-26-7-2-3-8-27(26)21-25)38(54)48-20-6-11-33(48)36(52)45-30(22-24-13-16-28(49)17-14-24)34(50)44-29(37(47)53)9-4-18-40/h2-3,7-8,12-17,21,29-33,49H,4-6,9-11,18-20,22-23,40H2,1H3,(H,44,50)(H,45,52)(H,46,51)(H4,41,42,43)/t29-,30+,31-,32-,33-/m0/s1 HRAWNHBGQQZVKN-WUXKFAKNSA-N 50263944 CHEMBL4068453 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.8b00336 10.7270/Q23B62M5 29608300 Sekiguchi, H; Kuroyanagi, T; Rhainds, D; Kobayashi, K; Kobayashi, Y; Ohno, H; Heveker, N; Akaji, K; Fujii, N; Oishi, S Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50263944 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50263944&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137631624 404341683 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50880344 CCc1ccn2ccnc2c1N1CCCN(CC2CCN(CC2)C(=O)[C@H]2C[C@@H]3CC[C@H]2O3)CC1 InChI=1S/C27H39N5O2/c1-2-21-8-14-31-15-9-28-26(31)25(21)30-11-3-10-29(16-17-30)19-20-6-12-32(13-7-20)27(33)23-18-22-4-5-24(23)34-22/h8-9,14-15,20,22-24H,2-7,10-13,16-19H2,1H3/t22-,23-,24+/m0/s1 ZUCRVTBTGIZZTG-KMDXXIMOSA-N 50264279 CHEMBL4072602 C-X-C chemokine receptor type 4 >6200 ChEMBL 10.1021/acs.jmedchem.8b00190 10.7270/Q2KD21C4 29627981 Menhaji-Klotz, E; Hesp, KD; Londregan, AT; Kalgutkar, AS; Piotrowski, DW; Boehm, M; Song, K; Ryder, T; Beaumont, K; Jones, RM; Atkinson, K; Brown, JA; Litchfield, J; Xiao, J; Canterbury, DP; Burford, K; Thuma, BA; Limberakis, C; Jiao, W; Bagley, SW; Agarwal, S; Crowell, D; Pazdziorko, S; Ward, J; Price, DA; Clerin, V Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50264279 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50264279&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137639002 404341795 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50880346 CCc1ccn2ccnc2c1N1CCCN(CC1)[C@@H](CC(N)=O)C1CCN(CC1)C(=O)[C@H]1C[C@@H]2CC[C@H]1O2 InChI=1S/C29H42N6O3/c1-2-20-6-12-34-15-9-31-28(34)27(20)33-11-3-10-32(16-17-33)24(19-26(30)36)21-7-13-35(14-8-21)29(37)23-18-22-4-5-25(23)38-22/h6,9,12,15,21-25H,2-5,7-8,10-11,13-14,16-19H2,1H3,(H2,30,36)/t22-,23-,24-,25+/m0/s1 CERHKHQEGFSIHF-OJJQZRKESA-N 50264280 CHEMBL4084050 C-X-C chemokine receptor type 4 11000 ChEMBL 10.1021/acs.jmedchem.8b00190 10.7270/Q2KD21C4 29627981 Menhaji-Klotz, E; Hesp, KD; Londregan, AT; Kalgutkar, AS; Piotrowski, DW; Boehm, M; Song, K; Ryder, T; Beaumont, K; Jones, RM; Atkinson, K; Brown, JA; Litchfield, J; Xiao, J; Canterbury, DP; Burford, K; Thuma, BA; Limberakis, C; Jiao, W; Bagley, SW; Agarwal, S; Crowell, D; Pazdziorko, S; Ward, J; Price, DA; Clerin, V Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50264280 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50264280&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 134694953 404341796 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50785366 C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](C(O)=O)C(C)(C)SSC1(C)C InChI=1S/C45H67N13O9S2/c1-25(52-36(61)29(53-26(2)59)19-13-21-50-42(46)47)35(60)57-33-40(65)54-30(20-14-22-51-43(48)49)37(62)55-31(23-27-15-9-7-10-16-27)38(63)56-32(24-28-17-11-8-12-18-28)39(64)58-34(41(66)67)45(5,6)69-68-44(33,3)4/h7-12,15-18,25,29-34H,13-14,19-24H2,1-6H3,(H,52,61)(H,53,59)(H,54,65)(H,55,62)(H,56,63)(H,57,60)(H,58,64)(H,66,67)(H4,46,47,50)(H4,48,49,51)/t25-,29-,30-,31-,32-,33-,34+/m0/s1 ATXNLGFSJLEYPD-LRMIZQCZSA-N 50250722 CHEMBL4087597 C-X-C chemokine receptor type 4 >10000 ChEMBL 10.1021/acs.jmedchem.7b01062 10.7270/Q28S4SBJ 29125295 Di Maro, S; Di Leva, FS; Trotta, AM; Brancaccio, D; Portella, L; Aurilio, M; Tomassi, S; Messere, A; Sementa, D; Lastoria, S; Carotenuto, A; Novellino, E; Scala, S; Marinelli, L University of Campania http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50250722 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50250722&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137643895 401962368 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50785367 C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CSSC1(C)C)C(O)=O InChI=1S/C43H63N13O9S2/c1-24(50-35(59)28(51-25(2)57)17-11-19-48-41(44)45)34(58)56-33-39(63)52-29(18-12-20-49-42(46)47)36(60)53-30(21-26-13-7-5-8-14-26)37(61)54-31(22-27-15-9-6-10-16-27)38(62)55-32(40(64)65)23-66-67-43(33,3)4/h5-10,13-16,24,28-33H,11-12,17-23H2,1-4H3,(H,50,59)(H,51,57)(H,52,63)(H,53,60)(H,54,61)(H,55,62)(H,56,58)(H,64,65)(H4,44,45,48)(H4,46,47,49)/t24-,28-,29-,30-,31-,32-,33-/m0/s1 JMWDHIKOVPNSBX-JKRCYJHESA-N 50250723 CHEMBL4060078 C-X-C chemokine receptor type 4 1530 ChEMBL 10.1021/acs.jmedchem.7b01062 10.7270/Q28S4SBJ 29125295 Di Maro, S; Di Leva, FS; Trotta, AM; Brancaccio, D; Portella, L; Aurilio, M; Tomassi, S; Messere, A; Sementa, D; Lastoria, S; Carotenuto, A; Novellino, E; Scala, S; Marinelli, L University of Campania http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50250723 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50250723&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137637457 401962369 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50785368 C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O InChI=1S/C41H59N13O9S2/c1-23(48-34(57)27(49-24(2)55)15-9-17-46-40(42)43)33(56)53-31-21-64-65-22-32(39(62)63)54-37(60)30(20-26-13-7-4-8-14-26)52-36(59)29(19-25-11-5-3-6-12-25)51-35(58)28(50-38(31)61)16-10-18-47-41(44)45/h3-8,11-14,23,27-32H,9-10,15-22H2,1-2H3,(H,48,57)(H,49,55)(H,50,61)(H,51,58)(H,52,59)(H,53,56)(H,54,60)(H,62,63)(H4,42,43,46)(H4,44,45,47)/t23-,27-,28-,29-,30-,31+,32-/m0/s1 LUDUMCCMFRYVOR-ZYELEKFWSA-N 50192468 CHEMBL3923282 C-X-C chemokine receptor type 4 40 ChEMBL 10.1021/acs.jmedchem.7b01062 10.7270/Q28S4SBJ 29125295 Di Maro, S; Di Leva, FS; Trotta, AM; Brancaccio, D; Portella, L; Aurilio, M; Tomassi, S; Messere, A; Sementa, D; Lastoria, S; Carotenuto, A; Novellino, E; Scala, S; Marinelli, L University of Campania http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50192468 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50192468&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 121595994 104075358 CHEMBL3923282 ZINC27761359 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50785369 C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(cc2)[N+]([O-])=O)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O InChI=1S/C43H62N14O11S2/c1-23(50-35(60)28(51-24(2)58)12-8-18-48-41(44)45)34(59)55-32-22-69-70-43(3,4)33(40(65)66)56-38(63)31(20-25-10-6-5-7-11-25)54-37(62)30(21-26-14-16-27(17-15-26)57(67)68)53-36(61)29(52-39(32)64)13-9-19-49-42(46)47/h5-7,10-11,14-17,23,28-33H,8-9,12-13,18-22H2,1-4H3,(H,50,60)(H,51,58)(H,52,64)(H,53,61)(H,54,62)(H,55,59)(H,56,63)(H,65,66)(H4,44,45,48)(H4,46,47,49)/t23-,28-,29-,30-,31-,32+,33+/m0/s1 SZGLMVYFBLRPOB-QFNGMZDJSA-N 50250724 CHEMBL4074277 C-X-C chemokine receptor type 4 3690 ChEMBL 10.1021/acs.jmedchem.7b01062 10.7270/Q28S4SBJ 29125295 Di Maro, S; Di Leva, FS; Trotta, AM; Brancaccio, D; Portella, L; Aurilio, M; Tomassi, S; Messere, A; Sementa, D; Lastoria, S; Carotenuto, A; Novellino, E; Scala, S; Marinelli, L University of Campania http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50250724 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50250724&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137640469 401962370 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50785370 C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O InChI=1S/C40H61N15O9S2/c1-21(49-32(58)25(50-22(2)56)12-8-14-46-38(41)42)31(57)54-29-19-65-66-40(3,4)30(37(63)64)55-35(61)27(16-23-10-6-5-7-11-23)52-34(60)28(17-24-18-45-20-48-24)53-33(59)26(51-36(29)62)13-9-15-47-39(43)44/h5-7,10-11,18,20-21,25-30H,8-9,12-17,19H2,1-4H3,(H,45,48)(H,49,58)(H,50,56)(H,51,62)(H,52,60)(H,53,59)(H,54,57)(H,55,61)(H,63,64)(H4,41,42,46)(H4,43,44,47)/t21-,25-,26-,27-,28-,29+,30+/m0/s1 YGVNZAWYMRVNCE-XPOKGGDFSA-N 50250725 CHEMBL4073066 C-X-C chemokine receptor type 4 2140 ChEMBL 10.1021/acs.jmedchem.7b01062 10.7270/Q28S4SBJ 29125295 Di Maro, S; Di Leva, FS; Trotta, AM; Brancaccio, D; Portella, L; Aurilio, M; Tomassi, S; Messere, A; Sementa, D; Lastoria, S; Carotenuto, A; Novellino, E; Scala, S; Marinelli, L University of Campania http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50250725 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50250725&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137638861 401962371 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50785371 C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O InChI=1S/C43H63N13O9S2/c1-24(50-35(59)28(51-25(2)57)17-11-19-48-41(44)45)34(58)55-32-23-66-67-43(3,4)33(40(64)65)56-38(62)31(22-27-15-9-6-10-16-27)54-37(61)30(21-26-13-7-5-8-14-26)53-36(60)29(52-39(32)63)18-12-20-49-42(46)47/h5-10,13-16,24,28-33H,11-12,17-23H2,1-4H3,(H,50,59)(H,51,57)(H,52,63)(H,53,60)(H,54,61)(H,55,58)(H,56,62)(H,64,65)(H4,44,45,48)(H4,46,47,49)/t24-,28-,29-,30-,31-,32+,33+/m0/s1 RIXZFWWGBBBAOQ-YFGPIWOOSA-N 50250731 CHEMBL4091892 C-X-C chemokine receptor type 4 >10000 ChEMBL 10.1021/acs.jmedchem.7b01062 10.7270/Q28S4SBJ 29125295 Di Maro, S; Di Leva, FS; Trotta, AM; Brancaccio, D; Portella, L; Aurilio, M; Tomassi, S; Messere, A; Sementa, D; Lastoria, S; Carotenuto, A; Novellino, E; Scala, S; Marinelli, L University of Campania http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50250731 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50250731&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137653914 401962372 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50785372 C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O InChI=1S/C44H63N15O9S2/c1-23(53-36(62)29(54-24(2)60)11-7-15-50-42(45)46)35(61)58-33-21-69-70-44(3,4)34(41(67)68)59-39(65)32(19-28-20-49-22-52-28)57-38(64)31(18-25-13-14-26-9-5-6-10-27(26)17-25)56-37(63)30(55-40(33)66)12-8-16-51-43(47)48/h5-6,9-10,13-14,17,20,22-23,29-34H,7-8,11-12,15-16,18-19,21H2,1-4H3,(H,49,52)(H,53,62)(H,54,60)(H,55,66)(H,56,63)(H,57,64)(H,58,61)(H,59,65)(H,67,68)(H4,45,46,50)(H4,47,48,51)/t23-,29-,30-,31-,32-,33+,34+/m0/s1 NNMRHUJKYQIREP-MYHBJLNCSA-N 50250704 CHEMBL4089168 C-X-C chemokine receptor type 4 6.0 ChEMBL 10.1021/acs.jmedchem.7b01062 10.7270/Q28S4SBJ 29125295 Di Maro, S; Di Leva, FS; Trotta, AM; Brancaccio, D; Portella, L; Aurilio, M; Tomassi, S; Messere, A; Sementa, D; Lastoria, S; Carotenuto, A; Novellino, E; Scala, S; Marinelli, L University of Campania http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50250704 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50250704&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 131801411 401962359 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50785373 C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@H](Cc2ccc(cc2)[N+]([O-])=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O InChI=1S/C43H62N14O11S2/c1-23(50-35(60)28(51-24(2)58)12-8-18-48-41(44)45)34(59)55-32-22-69-70-43(3,4)33(40(65)66)56-38(63)31(21-26-14-16-27(17-15-26)57(67)68)54-37(62)30(20-25-10-6-5-7-11-25)53-36(61)29(52-39(32)64)13-9-19-49-42(46)47/h5-7,10-11,14-17,23,28-33H,8-9,12-13,18-22H2,1-4H3,(H,50,60)(H,51,58)(H,52,64)(H,53,61)(H,54,62)(H,55,59)(H,56,63)(H,65,66)(H4,44,45,48)(H4,46,47,49)/t23-,28-,29-,30-,31-,32+,33+/m0/s1 XABHNNVRGSSEBK-QFNGMZDJSA-N 50250732 CHEMBL4064578 C-X-C chemokine receptor type 4 180 ChEMBL 10.1021/acs.jmedchem.7b01062 10.7270/Q28S4SBJ 29125295 Di Maro, S; Di Leva, FS; Trotta, AM; Brancaccio, D; Portella, L; Aurilio, M; Tomassi, S; Messere, A; Sementa, D; Lastoria, S; Carotenuto, A; Novellino, E; Scala, S; Marinelli, L University of Campania http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50250732 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50250732&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137637646 401962373 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50785374 C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O InChI=1S/C47H65N13O9S2/c1-26(54-39(63)32(55-27(2)61)16-10-20-52-45(48)49)38(62)59-36-25-70-71-47(3,4)37(44(68)69)60-42(66)34(23-28-12-6-5-7-13-28)58-41(65)35(24-29-18-19-30-14-8-9-15-31(30)22-29)57-40(64)33(56-43(36)67)17-11-21-53-46(50)51/h5-9,12-15,18-19,22,26,32-37H,10-11,16-17,20-21,23-25H2,1-4H3,(H,54,63)(H,55,61)(H,56,67)(H,57,64)(H,58,65)(H,59,62)(H,60,66)(H,68,69)(H4,48,49,52)(H4,50,51,53)/t26-,32-,33-,34-,35-,36+,37+/m0/s1 WYIHXBBMFCPCJK-WZYRFBKWSA-N 50250733 CHEMBL4064373 C-X-C chemokine receptor type 4 6.0 ChEMBL 10.1021/acs.jmedchem.7b01062 10.7270/Q28S4SBJ 29125295 Di Maro, S; Di Leva, FS; Trotta, AM; Brancaccio, D; Portella, L; Aurilio, M; Tomassi, S; Messere, A; Sementa, D; Lastoria, S; Carotenuto, A; Novellino, E; Scala, S; Marinelli, L University of Campania http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50250733 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50250733&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137636951 401962374 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50785332 C(N1CCCNCCNCCCNCC1)c1ccc(CN2CCCNCCNCCCNCC2)cc1 InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2 YIQPUIGJQJDJOS-UHFFFAOYSA-N 50035696 1,1''-{1,4-phenylenebis(methylene)}-bis{1,4,8,11-tetraaza-cyclotetradecane}::1,4,8,11-tetraazacyclotetradecanyl[4-(1,4,8,11-tetraazacyclotetradecanylmethyl)phenyl]methane::1,4,8,11-tetraazacyclotetradecanyl[4-(1,4,8,11-tetraazacyclotetradecanylmethyl)phenyl]methane(8HBr.2H2O)::1,4-bis((1,4,8,11-tetraazacyclotetradecan-1-yl)methyl)benzene::11''-xylyl bis-1,4,8,11-tetraazacyclotetradecane::11-{4-[4,8, 11-1,4,8,11tetraaza-cyclotetradec-1-ylmethyl]-benzyl}-1,4,8,11tetraaza-cyclotetradecane-1,4,8-tricarboxylic acid tri-tert-butyl ester::AMD-3100::CHEMBL18442::CHEMBL2311089::PLERIXAFOR::PLERIXAFOR OCTAHYDROCHLORIDE::US9205085, MSX-162 C-X-C chemokine receptor type 4 6200 ChEMBL 10.1021/acs.jmedchem.7b01062 10.7270/Q28S4SBJ 29125295 Di Maro, S; Di Leva, FS; Trotta, AM; Brancaccio, D; Portella, L; Aurilio, M; Tomassi, S; Messere, A; Sementa, D; Lastoria, S; Carotenuto, A; Novellino, E; Scala, S; Marinelli, L University of Campania http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50035696 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50035696&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 65015 103943663 CHEMBL2311089CHEMBL18442 DB06809 844 ZINC22443609 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50785341 C[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O InChI=1S/C39H57N13O8S2/c1-22(47-32(54)25(40)14-8-16-45-38(41)42)31(53)51-29-20-61-62-21-30(37(59)60)52-35(57)28(19-24-12-6-3-7-13-24)50-34(56)27(18-23-10-4-2-5-11-23)49-33(55)26(48-36(29)58)15-9-17-46-39(43)44/h2-7,10-13,22,25-30H,8-9,14-21,40H2,1H3,(H,47,54)(H,48,58)(H,49,55)(H,50,56)(H,51,53)(H,52,57)(H,59,60)(H4,41,42,45)(H4,43,44,46)/t22-,25-,26-,27-,28-,29-,30-/m0/s1 WOVYKVDSWWPJMK-ODKJCKIQSA-N 50192652 CHEMBL3901189 C-X-C chemokine receptor type 4 53 ChEMBL 10.1021/acs.jmedchem.7b01062 10.7270/Q28S4SBJ 29125295 Di Maro, S; Di Leva, FS; Trotta, AM; Brancaccio, D; Portella, L; Aurilio, M; Tomassi, S; Messere, A; Sementa, D; Lastoria, S; Carotenuto, A; Novellino, E; Scala, S; Marinelli, L University of Campania http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50192652 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50192652&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 121595992 375075888 CHEMBL3901189 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50785352 C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O InChI=1S/C47H65N13O9S2/c1-26(54-39(63)32(55-27(2)61)16-10-20-52-45(48)49)38(62)59-36-25-70-71-47(3,4)37(44(68)69)60-42(66)35(24-29-18-19-30-14-8-9-15-31(30)22-29)58-41(65)34(23-28-12-6-5-7-13-28)57-40(64)33(56-43(36)67)17-11-21-53-46(50)51/h5-9,12-15,18-19,22,26,32-37H,10-11,16-17,20-21,23-25H2,1-4H3,(H,54,63)(H,55,61)(H,56,67)(H,57,64)(H,58,65)(H,59,62)(H,60,66)(H,68,69)(H4,48,49,52)(H4,50,51,53)/t26-,32-,33-,34-,35-,36+,37+/m0/s1 RNNMSGOWPORRCA-WZYRFBKWSA-N 50250705 CHEMBL4078698 C-X-C chemokine receptor type 4 1.5 ChEMBL 10.1021/acs.jmedchem.7b01062 10.7270/Q28S4SBJ 29125295 Di Maro, S; Di Leva, FS; Trotta, AM; Brancaccio, D; Portella, L; Aurilio, M; Tomassi, S; Messere, A; Sementa, D; Lastoria, S; Carotenuto, A; Novellino, E; Scala, S; Marinelli, L University of Campania http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50250705 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50250705&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137648951 401962360 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50785356 C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O InChI=1S/C47H65N13O9S2/c1-26(54-39(63)32(55-27(2)61)19-11-21-52-45(48)49)38(62)59-36-25-70-71-47(3,4)37(44(68)69)60-42(66)35(24-30-17-10-16-29-15-8-9-18-31(29)30)58-41(65)34(23-28-13-6-5-7-14-28)57-40(64)33(56-43(36)67)20-12-22-53-46(50)51/h5-10,13-18,26,32-37H,11-12,19-25H2,1-4H3,(H,54,63)(H,55,61)(H,56,67)(H,57,64)(H,58,65)(H,59,62)(H,60,66)(H,68,69)(H4,48,49,52)(H4,50,51,53)/t26-,32-,33-,34-,35-,36+,37+/m0/s1 VZYVQNRLEZKUFV-WZYRFBKWSA-N 50250706 CHEMBL4096721 C-X-C chemokine receptor type 4 1800 ChEMBL 10.1021/acs.jmedchem.7b01062 10.7270/Q28S4SBJ 29125295 Di Maro, S; Di Leva, FS; Trotta, AM; Brancaccio, D; Portella, L; Aurilio, M; Tomassi, S; Messere, A; Sementa, D; Lastoria, S; Carotenuto, A; Novellino, E; Scala, S; Marinelli, L University of Campania http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50250706 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50250706&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137654103 401962361 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50785359 C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O InChI=1S/C43H62ClN13O9S2/c1-23(51-35(60)28(52-24(2)58)12-8-18-49-41(45)46)34(59)56-32-22-67-68-43(3,4)33(40(65)66)57-38(63)31(21-26-14-16-27(44)17-15-26)55-37(62)30(20-25-10-6-5-7-11-25)54-36(61)29(53-39(32)64)13-9-19-50-42(47)48/h5-7,10-11,14-17,23,28-33H,8-9,12-13,18-22H2,1-4H3,(H,51,60)(H,52,58)(H,53,64)(H,54,61)(H,55,62)(H,56,59)(H,57,63)(H,65,66)(H4,45,46,49)(H4,47,48,50)/t23-,28-,29-,30-,31-,32+,33+/m0/s1 NTJLKILNBCUAPW-QFNGMZDJSA-N 50250707 CHEMBL4104439 C-X-C chemokine receptor type 4 >10000 ChEMBL 10.1021/acs.jmedchem.7b01062 10.7270/Q28S4SBJ 29125295 Di Maro, S; Di Leva, FS; Trotta, AM; Brancaccio, D; Portella, L; Aurilio, M; Tomassi, S; Messere, A; Sementa, D; Lastoria, S; Carotenuto, A; Novellino, E; Scala, S; Marinelli, L University of Campania http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50250707 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50250707&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137657505 401962362 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50785360 C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O InChI=1S/C43H63N13O10S2/c1-23(50-35(60)28(51-24(2)57)12-8-18-48-41(44)45)34(59)55-32-22-67-68-43(3,4)33(40(65)66)56-38(63)31(21-26-14-16-27(58)17-15-26)54-37(62)30(20-25-10-6-5-7-11-25)53-36(61)29(52-39(32)64)13-9-19-49-42(46)47/h5-7,10-11,14-17,23,28-33,58H,8-9,12-13,18-22H2,1-4H3,(H,50,60)(H,51,57)(H,52,64)(H,53,61)(H,54,62)(H,55,59)(H,56,63)(H,65,66)(H4,44,45,48)(H4,46,47,49)/t23-,28-,29-,30-,31-,32+,33+/m0/s1 DPMQYUBAMOHWJF-QFNGMZDJSA-N 50250708 CHEMBL4079246 C-X-C chemokine receptor type 4 1250 ChEMBL 10.1021/acs.jmedchem.7b01062 10.7270/Q28S4SBJ 29125295 Di Maro, S; Di Leva, FS; Trotta, AM; Brancaccio, D; Portella, L; Aurilio, M; Tomassi, S; Messere, A; Sementa, D; Lastoria, S; Carotenuto, A; Novellino, E; Scala, S; Marinelli, L University of Campania http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50250708 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50250708&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137651290 401962363 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50785362 C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O InChI=1S/C40H61N15O9S2/c1-21(49-32(58)25(50-22(2)56)12-8-14-46-38(41)42)31(57)54-29-19-65-66-40(3,4)30(37(63)64)55-35(61)28(17-24-18-45-20-48-24)53-34(60)27(16-23-10-6-5-7-11-23)52-33(59)26(51-36(29)62)13-9-15-47-39(43)44/h5-7,10-11,18,20-21,25-30H,8-9,12-17,19H2,1-4H3,(H,45,48)(H,49,58)(H,50,56)(H,51,62)(H,52,59)(H,53,60)(H,54,57)(H,55,61)(H,63,64)(H4,41,42,46)(H4,43,44,47)/t21-,25-,26-,27-,28-,29+,30+/m0/s1 YDVQMUVDNHBIMG-XPOKGGDFSA-N 50250709 CHEMBL4076358 C-X-C chemokine receptor type 4 360 ChEMBL 10.1021/acs.jmedchem.7b01062 10.7270/Q28S4SBJ 29125295 Di Maro, S; Di Leva, FS; Trotta, AM; Brancaccio, D; Portella, L; Aurilio, M; Tomassi, S; Messere, A; Sementa, D; Lastoria, S; Carotenuto, A; Novellino, E; Scala, S; Marinelli, L University of Campania http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50250709 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50250709&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137651859 401962364 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50785363 C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O InChI=1S/C47H65N13O9S2/c1-26(54-39(63)32(55-27(2)61)19-11-21-52-45(48)49)38(62)59-36-25-70-71-47(3,4)37(44(68)69)60-42(66)34(23-28-13-6-5-7-14-28)57-41(65)35(24-30-17-10-16-29-15-8-9-18-31(29)30)58-40(64)33(56-43(36)67)20-12-22-53-46(50)51/h5-10,13-18,26,32-37H,11-12,19-25H2,1-4H3,(H,54,63)(H,55,61)(H,56,67)(H,57,65)(H,58,64)(H,59,62)(H,60,66)(H,68,69)(H4,48,49,52)(H4,50,51,53)/t26-,32-,33-,34-,35-,36+,37+/m0/s1 NBMKTAHPDYAZFG-WZYRFBKWSA-N 50250710 CHEMBL4061034 C-X-C chemokine receptor type 4 22 ChEMBL 10.1021/acs.jmedchem.7b01062 10.7270/Q28S4SBJ 29125295 Di Maro, S; Di Leva, FS; Trotta, AM; Brancaccio, D; Portella, L; Aurilio, M; Tomassi, S; Messere, A; Sementa, D; Lastoria, S; Carotenuto, A; Novellino, E; Scala, S; Marinelli, L University of Campania http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50250710 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50250710&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137637266 401962365 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50785364 C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O InChI=1S/C43H62ClN13O9S2/c1-23(51-35(60)28(52-24(2)58)12-8-18-49-41(45)46)34(59)56-32-22-67-68-43(3,4)33(40(65)66)57-38(63)31(20-25-10-6-5-7-11-25)55-37(62)30(21-26-14-16-27(44)17-15-26)54-36(61)29(53-39(32)64)13-9-19-50-42(47)48/h5-7,10-11,14-17,23,28-33H,8-9,12-13,18-22H2,1-4H3,(H,51,60)(H,52,58)(H,53,64)(H,54,61)(H,55,62)(H,56,59)(H,57,63)(H,65,66)(H4,45,46,49)(H4,47,48,50)/t23-,28-,29-,30-,31-,32+,33+/m0/s1 FSBQYKANQCKZKY-QFNGMZDJSA-N 50250711 CHEMBL4065967 C-X-C chemokine receptor type 4 210 ChEMBL 10.1021/acs.jmedchem.7b01062 10.7270/Q28S4SBJ 29125295 Di Maro, S; Di Leva, FS; Trotta, AM; Brancaccio, D; Portella, L; Aurilio, M; Tomassi, S; Messere, A; Sementa, D; Lastoria, S; Carotenuto, A; Novellino, E; Scala, S; Marinelli, L University of Campania http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50250711 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50250711&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137632426 401962366 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50785365 C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O InChI=1S/C43H63N13O10S2/c1-23(50-35(60)28(51-24(2)57)12-8-18-48-41(44)45)34(59)55-32-22-67-68-43(3,4)33(40(65)66)56-38(63)31(20-25-10-6-5-7-11-25)54-37(62)30(21-26-14-16-27(58)17-15-26)53-36(61)29(52-39(32)64)13-9-19-49-42(46)47/h5-7,10-11,14-17,23,28-33,58H,8-9,12-13,18-22H2,1-4H3,(H,50,60)(H,51,57)(H,52,64)(H,53,61)(H,54,62)(H,55,59)(H,56,63)(H,65,66)(H4,44,45,48)(H4,46,47,49)/t23-,28-,29-,30-,31-,32+,33+/m0/s1 LZFUGERBQATMRH-QFNGMZDJSA-N 50250721 CHEMBL4093767 C-X-C chemokine receptor type 4 70 ChEMBL 10.1021/acs.jmedchem.7b01062 10.7270/Q28S4SBJ 29125295 Di Maro, S; Di Leva, FS; Trotta, AM; Brancaccio, D; Portella, L; Aurilio, M; Tomassi, S; Messere, A; Sementa, D; Lastoria, S; Carotenuto, A; Novellino, E; Scala, S; Marinelli, L University of Campania http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50250721 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50250721&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137654477 401962367 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50804298 CC1=CCC[C@H]1NC(=O)Nc1ccc(Cl)c(c1O)S(=O)(=O)[C@@]1(C)CCOC1 InChI=1S/C18H23ClN2O5S/c1-11-4-3-5-13(11)20-17(23)21-14-7-6-12(19)16(15(14)22)27(24,25)18(2)8-9-26-10-18/h4,6-7,13,22H,3,5,8-10H2,1-2H3,(H2,20,21,23)/t13-,18+/m1/s1 DNXKACKCTLURQN-ACJLOTCBSA-N 50255479 CHEMBL4067429 C-X-C chemokine receptor type 4 >10000 ChEMBL 10.1021/acs.jmedchem.7b01854 10.7270/Q2959M1F 29406702 Lu, H; Yang, T; Xu, Z; Lin, X; Ding, Q; Zhang, Y; Cai, X; Dong, K; Gong, S; Zhang, W; Patel, M; Copley, RCB; Xiang, J; Guan, X; Wren, P; Ren, F GSK Pharmaceuticals R & D http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50255479 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50255479&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 100951623 402360319 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50765748 C[C@H](NC(=O)c1cccc(NC(N)=N)c1)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O InChI=1S/C41H52N12O8S2/c1-23(47-34(55)26-14-8-15-27(20-26)48-41(44)45)33(54)52-31-21-62-63-22-32(39(60)61)53-37(58)30(19-25-12-6-3-7-13-25)51-36(57)29(18-24-10-4-2-5-11-24)50-35(56)28(49-38(31)59)16-9-17-46-40(42)43/h2-8,10-15,20,23,28-32H,9,16-19,21-22H2,1H3,(H,47,55)(H,49,59)(H,50,56)(H,51,57)(H,52,54)(H,53,58)(H,60,61)(H4,42,43,46)(H4,44,45,48)/t23-,28-,29-,30-,31-,32-/m0/s1 PAZIDKQLNAGNBP-HUZZHFCNSA-N 50244994 CHEMBL4092239 C-X-C chemokine receptor type 4 3200 ChEMBL 10.1021/acs.jmedchem.7b01830 10.7270/Q2G44SPB 29522685 Brancaccio, D; Diana, D; Di Maro, S; Di Leva, FS; Tomassi, S; Fattorusso, R; Russo, L; Scala, S; Trotta, AM; Portella, L; Novellino, E; Marinelli, L; Carotenuto, A Universit£ di Napoli Federico II http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50244994 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50244994&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 134158362 386403289 CHEMBL4092239 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50765751 C[C@H](NC(=O)c1ccc(NC(N)=N)cc1)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O InChI=1S/C41H52N12O8S2/c1-23(47-34(55)26-14-16-27(17-15-26)48-41(44)45)33(54)52-31-21-62-63-22-32(39(60)61)53-37(58)30(20-25-11-6-3-7-12-25)51-36(57)29(19-24-9-4-2-5-10-24)50-35(56)28(49-38(31)59)13-8-18-46-40(42)43/h2-7,9-12,14-17,23,28-32H,8,13,18-22H2,1H3,(H,47,55)(H,49,59)(H,50,56)(H,51,57)(H,52,54)(H,53,58)(H,60,61)(H4,42,43,46)(H4,44,45,48)/t23-,28-,29-,30-,31-,32-/m0/s1 ZMKLLQKMUUZKHL-HUZZHFCNSA-N 50244995 CHEMBL4083765 C-X-C chemokine receptor type 4 >10000 ChEMBL 10.1021/acs.jmedchem.7b01830 10.7270/Q2G44SPB 29522685 Brancaccio, D; Diana, D; Di Maro, S; Di Leva, FS; Tomassi, S; Fattorusso, R; Russo, L; Scala, S; Trotta, AM; Portella, L; Novellino, E; Marinelli, L; Carotenuto, A Universit£ di Napoli Federico II http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50244995 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50244995&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137647496 386403290 CHEMBL4083765 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50765752 C[C@H](NC(=O)C1CCN(CC1)C(N)=N)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O InChI=1S/C40H56N12O8S2/c1-23(46-33(54)26-14-17-52(18-15-26)40(43)44)32(53)50-30-21-61-62-22-31(38(59)60)51-36(57)29(20-25-11-6-3-7-12-25)49-35(56)28(19-24-9-4-2-5-10-24)48-34(55)27(47-37(30)58)13-8-16-45-39(41)42/h2-7,9-12,23,26-31H,8,13-22H2,1H3,(H3,43,44)(H,46,54)(H,47,58)(H,48,55)(H,49,56)(H,50,53)(H,51,57)(H,59,60)(H4,41,42,45)/t23-,27-,28-,29-,30-,31-/m0/s1 LAGQZYWTEZAJHH-PUIZYEDGSA-N 50244996 CHEMBL4101762 C-X-C chemokine receptor type 4 >10000 ChEMBL 10.1021/acs.jmedchem.7b01830 10.7270/Q2G44SPB 29522685 Brancaccio, D; Diana, D; Di Maro, S; Di Leva, FS; Tomassi, S; Fattorusso, R; Russo, L; Scala, S; Trotta, AM; Portella, L; Novellino, E; Marinelli, L; Carotenuto, A Universit£ di Napoli Federico II http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50244996 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50244996&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137661256 386403291 CHEMBL4101762 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50765755 C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1ccccc1 InChI=1S/C39H57N13O8S2/c1-22-31(53)48-26(14-8-16-45-38(41)42)34(56)52-30(37(59)60)21-62-61-20-29(36(58)50-28(35(57)47-22)19-24-12-6-3-7-13-24)51-33(55)27(15-9-17-46-39(43)44)49-32(54)25(40)18-23-10-4-2-5-11-23/h2-7,10-13,22,25-30H,8-9,14-21,40H2,1H3,(H,47,57)(H,48,53)(H,49,54)(H,50,58)(H,51,55)(H,52,56)(H,59,60)(H4,41,42,45)(H4,43,44,46)/t22-,25-,26-,27-,28-,29-,30-/m0/s1 ATGXOPLJQCXJMU-ODKJCKIQSA-N 50244997 CHEMBL4070596 C-X-C chemokine receptor type 4 >10000 ChEMBL 10.1021/acs.jmedchem.7b01830 10.7270/Q2G44SPB 29522685 Brancaccio, D; Diana, D; Di Maro, S; Di Leva, FS; Tomassi, S; Fattorusso, R; Russo, L; Scala, S; Trotta, AM; Portella, L; Novellino, E; Marinelli, L; Carotenuto, A Universit£ di Napoli Federico II http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50244997 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50244997&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137639865 386403292 CHEMBL4070596 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50765756 C[C@H](NC(=O)[C@H](N)CCCNC(N)=N)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O InChI=1S/C39H57N13O8S2/c1-22(47-32(54)25(40)14-8-16-45-38(41)42)31(53)51-29-20-61-62-21-30(37(59)60)52-35(57)28(19-24-12-6-3-7-13-24)50-34(56)27(18-23-10-4-2-5-11-23)49-33(55)26(48-36(29)58)15-9-17-46-39(43)44/h2-7,10-13,22,25-30H,8-9,14-21,40H2,1H3,(H,47,54)(H,48,58)(H,49,55)(H,50,56)(H,51,53)(H,52,57)(H,59,60)(H4,41,42,45)(H4,43,44,46)/t22-,25+,26-,27-,28-,29-,30-/m0/s1 WOVYKVDSWWPJMK-AJVZFGDWSA-N 50244998 CHEMBL4064541 C-X-C chemokine receptor type 4 >10000 ChEMBL 10.1021/acs.jmedchem.7b01830 10.7270/Q2G44SPB 29522685 Brancaccio, D; Diana, D; Di Maro, S; Di Leva, FS; Tomassi, S; Fattorusso, R; Russo, L; Scala, S; Trotta, AM; Portella, L; Novellino, E; Marinelli, L; Carotenuto, A Universit£ di Napoli Federico II http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50244998 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50244998&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137637865 386403293 CHEMBL4064541 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50765757 C[C@H](NC(=O)CCCNC(N)=N)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O InChI=1S/C38H54N12O8S2/c1-22(45-30(51)15-9-17-44-38(41)42)31(52)49-28-20-59-60-21-29(36(57)58)50-34(55)27(19-24-12-6-3-7-13-24)48-33(54)26(18-23-10-4-2-5-11-23)47-32(53)25(46-35(28)56)14-8-16-43-37(39)40/h2-7,10-13,22,25-29H,8-9,14-21H2,1H3,(H,45,51)(H,46,56)(H,47,53)(H,48,54)(H,49,52)(H,50,55)(H,57,58)(H4,39,40,43)(H4,41,42,44)/t22-,25-,26-,27-,28-,29-/m0/s1 VPFHAAQJNHBRGG-AGEVTBPVSA-N 50244999 CHEMBL4094209 C-X-C chemokine receptor type 4 >10000 ChEMBL 10.1021/acs.jmedchem.7b01830 10.7270/Q2G44SPB 29522685 Brancaccio, D; Diana, D; Di Maro, S; Di Leva, FS; Tomassi, S; Fattorusso, R; Russo, L; Scala, S; Trotta, AM; Portella, L; Novellino, E; Marinelli, L; Carotenuto, A Universit£ di Napoli Federico II http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50244999 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50244999&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137653778 386403294 CHEMBL4094209 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50771429 Cc1cc(NC2CCN(CC2)C(=O)CCCNCC(O)=O)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 InChI=1S/C31H53N11O3/c1-24-20-28(37-26-11-18-41(19-12-26)29(43)10-5-13-33-22-30(44)45)38-31(36-24)35-21-27-23-42(40-39-27)17-7-15-32-14-6-16-34-25-8-3-2-4-9-25/h20,23,25-26,32-34H,2-19,21-22H2,1H3,(H,44,45)(H2,35,36,37,38) TVRAOTCRQSAZNJ-UHFFFAOYSA-N 50247593 CHEMBL4079981 C-X-C chemokine receptor type 4 89 ChEMBL 10.1021/acs.jmedchem.7b01322 10.7270/Q2KH0QRM 29314840 Wu, CH; Song, JS; Kuan, HH; Wu, SH; Chou, MC; Jan, JJ; Tsou, LK; Ke, YY; Chen, CT; Yeh, KC; Wang, SY; Yeh, TK; Tseng, CT; Huang, CL; Wu, MH; Kuo, PC; Lee, CJ; Shia, KS National Health Research Institutes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50247593 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50247593&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137649869 401961020 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50771432 Cc1cc(NC2CCN(CC2)C(=O)CNCCC(O)=O)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 InChI=1S/C30H51N11O3/c1-23-19-27(36-25-10-17-40(18-11-25)28(42)21-32-15-9-29(43)44)37-30(35-23)34-20-26-22-41(39-38-26)16-6-13-31-12-5-14-33-24-7-3-2-4-8-24/h19,22,24-25,31-33H,2-18,20-21H2,1H3,(H,43,44)(H2,34,35,36,37) UHUFXRZPEYFCSM-UHFFFAOYSA-N 50247594 CHEMBL4104222 C-X-C chemokine receptor type 4 83 ChEMBL 10.1021/acs.jmedchem.7b01322 10.7270/Q2KH0QRM 29314840 Wu, CH; Song, JS; Kuan, HH; Wu, SH; Chou, MC; Jan, JJ; Tsou, LK; Ke, YY; Chen, CT; Yeh, KC; Wang, SY; Yeh, TK; Tseng, CT; Huang, CL; Wu, MH; Kuo, PC; Lee, CJ; Shia, KS National Health Research Institutes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50247594 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50247594&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137658540 401961021 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50771435 Cc1cc(NC2CCN(CC2)C(=O)CCNCC(O)=O)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 InChI=1S/C30H51N11O3/c1-23-19-27(36-25-10-17-40(18-11-25)28(42)9-15-32-21-29(43)44)37-30(35-23)34-20-26-22-41(39-38-26)16-6-13-31-12-5-14-33-24-7-3-2-4-8-24/h19,22,24-25,31-33H,2-18,20-21H2,1H3,(H,43,44)(H2,34,35,36,37) AIETUBHCUYNJHA-UHFFFAOYSA-N 50247595 CHEMBL4064397 C-X-C chemokine receptor type 4 34 ChEMBL 10.1021/acs.jmedchem.7b01322 10.7270/Q2KH0QRM 29314840 Wu, CH; Song, JS; Kuan, HH; Wu, SH; Chou, MC; Jan, JJ; Tsou, LK; Ke, YY; Chen, CT; Yeh, KC; Wang, SY; Yeh, TK; Tseng, CT; Huang, CL; Wu, MH; Kuo, PC; Lee, CJ; Shia, KS National Health Research Institutes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50247595 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50247595&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 118965395 401961022 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50771436 FC(F)(F)c1cc(NC2CCNCC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 InChI=1S/C25H41F3N10/c26-25(27,28)22-16-23(33-20-8-13-30-14-9-20)35-24(34-22)32-17-21-18-38(37-36-21)15-5-11-29-10-4-12-31-19-6-2-1-3-7-19/h16,18-20,29-31H,1-15,17H2,(H2,32,33,34,35) IUFRFIKJXLLGHM-UHFFFAOYSA-N 50247596 CHEMBL4072978 C-X-C chemokine receptor type 4 860 ChEMBL 10.1021/acs.jmedchem.7b01322 10.7270/Q2KH0QRM 29314840 Wu, CH; Song, JS; Kuan, HH; Wu, SH; Chou, MC; Jan, JJ; Tsou, LK; Ke, YY; Chen, CT; Yeh, KC; Wang, SY; Yeh, TK; Tseng, CT; Huang, CL; Wu, MH; Kuo, PC; Lee, CJ; Shia, KS National Health Research Institutes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50247596 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50247596&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137638711 401961023 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50771437 Clc1cc(NC2CCNCC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 InChI=1S/C24H41ClN10/c25-22-16-23(30-20-8-13-27-14-9-20)32-24(31-22)29-17-21-18-35(34-33-21)15-5-11-26-10-4-12-28-19-6-2-1-3-7-19/h16,18-20,26-28H,1-15,17H2,(H2,29,30,31,32) IMKGZLBHZCPKEC-UHFFFAOYSA-N 50247598 CHEMBL4099856 C-X-C chemokine receptor type 4 708 ChEMBL 10.1021/acs.jmedchem.7b01322 10.7270/Q2KH0QRM 29314840 Wu, CH; Song, JS; Kuan, HH; Wu, SH; Chou, MC; Jan, JJ; Tsou, LK; Ke, YY; Chen, CT; Yeh, KC; Wang, SY; Yeh, TK; Tseng, CT; Huang, CL; Wu, MH; Kuo, PC; Lee, CJ; Shia, KS National Health Research Institutes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50247598 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50247598&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137662117 401961024 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50771438 CC(C)c1cc(NC2CCNCC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 InChI=1S/C27H48N10/c1-21(2)25-18-26(32-23-10-15-29-16-11-23)34-27(33-25)31-19-24-20-37(36-35-24)17-7-13-28-12-6-14-30-22-8-4-3-5-9-22/h18,20-23,28-30H,3-17,19H2,1-2H3,(H2,31,32,33,34) MVKOTOIZJGYESI-UHFFFAOYSA-N 50247601 CHEMBL4075454 C-X-C chemokine receptor type 4 61 ChEMBL 10.1021/acs.jmedchem.7b01322 10.7270/Q2KH0QRM 29314840 Wu, CH; Song, JS; Kuan, HH; Wu, SH; Chou, MC; Jan, JJ; Tsou, LK; Ke, YY; Chen, CT; Yeh, KC; Wang, SY; Yeh, TK; Tseng, CT; Huang, CL; Wu, MH; Kuo, PC; Lee, CJ; Shia, KS National Health Research Institutes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50247601 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50247601&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137649245 401961025 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50771439 CCc1cc(NC2CCNCC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 InChI=1S/C26H46N10/c1-2-21-18-25(31-23-10-15-28-16-11-23)33-26(32-21)30-19-24-20-36(35-34-24)17-7-13-27-12-6-14-29-22-8-4-3-5-9-22/h18,20,22-23,27-29H,2-17,19H2,1H3,(H2,30,31,32,33) GPGXNSNEFVREBV-UHFFFAOYSA-N 50247609 CHEMBL4091201 C-X-C chemokine receptor type 4 47 ChEMBL 10.1021/acs.jmedchem.7b01322 10.7270/Q2KH0QRM 29314840 Wu, CH; Song, JS; Kuan, HH; Wu, SH; Chou, MC; Jan, JJ; Tsou, LK; Ke, YY; Chen, CT; Yeh, KC; Wang, SY; Yeh, TK; Tseng, CT; Huang, CL; Wu, MH; Kuo, PC; Lee, CJ; Shia, KS National Health Research Institutes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50247609 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50247609&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137642595 401961026 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50771444 C(CNCCCn1cc(CNc2nccc(NC3CCNCC3)n2)nn1)CNC1CCCCC1 InChI=1S/C24H42N10/c1-2-6-20(7-3-1)27-13-4-11-25-12-5-17-34-19-22(32-33-34)18-29-24-28-16-10-23(31-24)30-21-8-14-26-15-9-21/h10,16,19-21,25-27H,1-9,11-15,17-18H2,(H2,28,29,30,31) OAHARFBCGQFYBA-UHFFFAOYSA-N 50247610 CHEMBL4070263 C-X-C chemokine receptor type 4 34 ChEMBL 10.1021/acs.jmedchem.7b01322 10.7270/Q2KH0QRM 29314840 Wu, CH; Song, JS; Kuan, HH; Wu, SH; Chou, MC; Jan, JJ; Tsou, LK; Ke, YY; Chen, CT; Yeh, KC; Wang, SY; Yeh, TK; Tseng, CT; Huang, CL; Wu, MH; Kuo, PC; Lee, CJ; Shia, KS National Health Research Institutes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50247610 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50247610&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 118965334 401961027 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50771445 Cc1cc(NC2CCN(CCCCCC(O)=O)CC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 InChI=1S/C31H54N10O2/c1-25-22-29(36-27-13-20-40(21-14-27)18-7-3-6-12-30(42)43)37-31(35-25)34-23-28-24-41(39-38-28)19-9-16-32-15-8-17-33-26-10-4-2-5-11-26/h22,24,26-27,32-33H,2-21,23H2,1H3,(H,42,43)(H2,34,35,36,37) BGWVIRKHCVANHG-UHFFFAOYSA-N 50247617 CHEMBL4090175 C-X-C chemokine receptor type 4 70 ChEMBL 10.1021/acs.jmedchem.7b01322 10.7270/Q2KH0QRM 29314840 Wu, CH; Song, JS; Kuan, HH; Wu, SH; Chou, MC; Jan, JJ; Tsou, LK; Ke, YY; Chen, CT; Yeh, KC; Wang, SY; Yeh, TK; Tseng, CT; Huang, CL; Wu, MH; Kuo, PC; Lee, CJ; Shia, KS National Health Research Institutes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50247617 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50247617&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137643115 401961028 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50771446 Cc1cc(NC2CCN(CCCCC(O)=O)CC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 InChI=1S/C30H52N10O2/c1-24-21-28(35-26-12-19-39(20-13-26)17-6-5-11-29(41)42)36-30(34-24)33-22-27-23-40(38-37-27)18-8-15-31-14-7-16-32-25-9-3-2-4-10-25/h21,23,25-26,31-32H,2-20,22H2,1H3,(H,41,42)(H2,33,34,35,36) VKNRUVYJGRUZEI-UHFFFAOYSA-N 50247618 CHEMBL4069110 C-X-C chemokine receptor type 4 93 ChEMBL 10.1021/acs.jmedchem.7b01322 10.7270/Q2KH0QRM 29314840 Wu, CH; Song, JS; Kuan, HH; Wu, SH; Chou, MC; Jan, JJ; Tsou, LK; Ke, YY; Chen, CT; Yeh, KC; Wang, SY; Yeh, TK; Tseng, CT; Huang, CL; Wu, MH; Kuo, PC; Lee, CJ; Shia, KS National Health Research Institutes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50247618 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50247618&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 118965426 401961029 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50771447 Cc1cc(NC2CCN(CCC(O)=O)CC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 InChI=1S/C28H48N10O2/c1-22-19-26(33-24-9-16-37(17-10-24)18-11-27(39)40)34-28(32-22)31-20-25-21-38(36-35-25)15-6-13-29-12-5-14-30-23-7-3-2-4-8-23/h19,21,23-24,29-30H,2-18,20H2,1H3,(H,39,40)(H2,31,32,33,34) AISWCYHMKZDOLT-UHFFFAOYSA-N 50247619 CHEMBL4082328 C-X-C chemokine receptor type 4 82 ChEMBL 10.1021/acs.jmedchem.7b01322 10.7270/Q2KH0QRM 29314840 Wu, CH; Song, JS; Kuan, HH; Wu, SH; Chou, MC; Jan, JJ; Tsou, LK; Ke, YY; Chen, CT; Yeh, KC; Wang, SY; Yeh, TK; Tseng, CT; Huang, CL; Wu, MH; Kuo, PC; Lee, CJ; Shia, KS National Health Research Institutes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50247619 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50247619&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137648362 401961030 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50771450 Cc1cc(NC2CCN(CCC#N)CC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 InChI=1S/C28H47N11/c1-23-20-27(34-25-10-18-38(19-11-25)16-5-12-29)35-28(33-23)32-21-26-22-39(37-36-26)17-7-14-30-13-6-15-31-24-8-3-2-4-9-24/h20,22,24-25,30-31H,2-11,13-19,21H2,1H3,(H2,32,33,34,35) QIZZDSRYRYUMOK-UHFFFAOYSA-N 50247620 CHEMBL4102780 C-X-C chemokine receptor type 4 72 ChEMBL 10.1021/acs.jmedchem.7b01322 10.7270/Q2KH0QRM 29314840 Wu, CH; Song, JS; Kuan, HH; Wu, SH; Chou, MC; Jan, JJ; Tsou, LK; Ke, YY; Chen, CT; Yeh, KC; Wang, SY; Yeh, TK; Tseng, CT; Huang, CL; Wu, MH; Kuo, PC; Lee, CJ; Shia, KS National Health Research Institutes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50247620 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50247620&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137658485 401961031 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50771452 CCCN1CCC(CC1)Nc1cc(C)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 InChI=1S/C28H50N10/c1-3-16-37-18-11-25(12-19-37)33-27-20-23(2)32-28(34-27)31-21-26-22-38(36-35-26)17-8-14-29-13-7-15-30-24-9-5-4-6-10-24/h20,22,24-25,29-30H,3-19,21H2,1-2H3,(H2,31,32,33,34) BBNJJAKFTQZFTI-UHFFFAOYSA-N 50247621 CHEMBL4078499 C-X-C chemokine receptor type 4 48 ChEMBL 10.1021/acs.jmedchem.7b01322 10.7270/Q2KH0QRM 29314840 Wu, CH; Song, JS; Kuan, HH; Wu, SH; Chou, MC; Jan, JJ; Tsou, LK; Ke, YY; Chen, CT; Yeh, KC; Wang, SY; Yeh, TK; Tseng, CT; Huang, CL; Wu, MH; Kuo, PC; Lee, CJ; Shia, KS National Health Research Institutes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50247621 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50247621&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137649371 401961032 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50771453 CCc1cc(NC2CCN(CC2)C(=O)CCNCCP(O)(O)=O)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 InChI=1S/C31H56N11O4P/c1-2-25-22-29(36-27-11-19-41(20-12-27)30(43)10-16-33-17-21-47(44,45)46)38-31(37-25)35-23-28-24-42(40-39-28)18-7-14-32-13-6-15-34-26-8-4-3-5-9-26/h22,24,26-27,32-34H,2-21,23H2,1H3,(H2,44,45,46)(H2,35,36,37,38) CRIKDBDSYLETKK-UHFFFAOYSA-N 50247622 CHEMBL4059987 C-X-C chemokine receptor type 4 147 ChEMBL 10.1021/acs.jmedchem.7b01322 10.7270/Q2KH0QRM 29314840 Wu, CH; Song, JS; Kuan, HH; Wu, SH; Chou, MC; Jan, JJ; Tsou, LK; Ke, YY; Chen, CT; Yeh, KC; Wang, SY; Yeh, TK; Tseng, CT; Huang, CL; Wu, MH; Kuo, PC; Lee, CJ; Shia, KS National Health Research Institutes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50247622 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50247622&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137637211 401961033 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50771454 Cc1cc(NC2CCN(CC2)C(=O)CC[C@H](N)C(O)=O)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 InChI=1S/C30H51N11O3/c1-22-19-27(36-24-11-17-40(18-12-24)28(42)10-9-26(31)29(43)44)37-30(35-22)34-20-25-21-41(39-38-25)16-6-14-32-13-5-15-33-23-7-3-2-4-8-23/h19,21,23-24,26,32-33H,2-18,20,31H2,1H3,(H,43,44)(H2,34,35,36,37)/t26-/m0/s1 OWKTUDWWRQBTFL-SANMLTNESA-N 50247623 CHEMBL4098404 C-X-C chemokine receptor type 4 71 ChEMBL 10.1021/acs.jmedchem.7b01322 10.7270/Q2KH0QRM 29314840 Wu, CH; Song, JS; Kuan, HH; Wu, SH; Chou, MC; Jan, JJ; Tsou, LK; Ke, YY; Chen, CT; Yeh, KC; Wang, SY; Yeh, TK; Tseng, CT; Huang, CL; Wu, MH; Kuo, PC; Lee, CJ; Shia, KS National Health Research Institutes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50247623 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50247623&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 118965366 401961034 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50771457 Cc1cc(NC2CCN(CC2)C(=O)CCCC(O)=O)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 InChI=1S/C30H50N10O3/c1-23-20-27(35-25-12-18-39(19-13-25)28(41)10-5-11-29(42)43)36-30(34-23)33-21-26-22-40(38-37-26)17-7-15-31-14-6-16-32-24-8-3-2-4-9-24/h20,22,24-25,31-32H,2-19,21H2,1H3,(H,42,43)(H2,33,34,35,36) PXZVBQGVCPWUKU-UHFFFAOYSA-N 50247624 CHEMBL4071355 C-X-C chemokine receptor type 4 158 ChEMBL 10.1021/acs.jmedchem.7b01322 10.7270/Q2KH0QRM 29314840 Wu, CH; Song, JS; Kuan, HH; Wu, SH; Chou, MC; Jan, JJ; Tsou, LK; Ke, YY; Chen, CT; Yeh, KC; Wang, SY; Yeh, TK; Tseng, CT; Huang, CL; Wu, MH; Kuo, PC; Lee, CJ; Shia, KS National Health Research Institutes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50247624 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50247624&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 118965421 401961035 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50771458 OC(=O)CNCCC(=O)N1CCC(CC1)Nc1ccnc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 InChI=1S/C29H49N11O3/c41-27(9-15-31-21-28(42)43)39-18-10-24(11-19-39)35-26-8-16-33-29(36-26)34-20-25-22-40(38-37-25)17-5-13-30-12-4-14-32-23-6-2-1-3-7-23/h8,16,22-24,30-32H,1-7,9-15,17-21H2,(H,42,43)(H2,33,34,35,36) IENGYTHWKOVKBG-UHFFFAOYSA-N 50247625 CHEMBL4097496 C-X-C chemokine receptor type 4 399 ChEMBL 10.1021/acs.jmedchem.7b01322 10.7270/Q2KH0QRM 29314840 Wu, CH; Song, JS; Kuan, HH; Wu, SH; Chou, MC; Jan, JJ; Tsou, LK; Ke, YY; Chen, CT; Yeh, KC; Wang, SY; Yeh, TK; Tseng, CT; Huang, CL; Wu, MH; Kuo, PC; Lee, CJ; Shia, KS National Health Research Institutes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50247625 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50247625&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137660848 401961036 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50771460 CCc1cc(NC2CCN(CC2)C(=O)CCNCC(O)=O)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 InChI=1S/C31H53N11O3/c1-2-24-20-28(36-26-11-18-41(19-12-26)29(43)10-16-33-22-30(44)45)38-31(37-24)35-21-27-23-42(40-39-27)17-7-14-32-13-6-15-34-25-8-4-3-5-9-25/h20,23,25-26,32-34H,2-19,21-22H2,1H3,(H,44,45)(H2,35,36,37,38) LBQVBEPHBQFQGX-UHFFFAOYSA-N 50247626 CHEMBL4068647 C-X-C chemokine receptor type 4 72 ChEMBL 10.1021/acs.jmedchem.7b01322 10.7270/Q2KH0QRM 29314840 Wu, CH; Song, JS; Kuan, HH; Wu, SH; Chou, MC; Jan, JJ; Tsou, LK; Ke, YY; Chen, CT; Yeh, KC; Wang, SY; Yeh, TK; Tseng, CT; Huang, CL; Wu, MH; Kuo, PC; Lee, CJ; Shia, KS National Health Research Institutes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50247626 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50247626&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137633110 401961037 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50771472 Cc1cc(NC2CCN(CC2)C(=O)CCNCC(O)=O)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 InChI=1S/C30H51N11O3/c1-23-19-27(36-25-10-17-40(18-11-25)28(42)9-15-32-21-29(43)44)37-30(35-23)34-20-26-22-41(39-38-26)16-6-13-31-12-5-14-33-24-7-3-2-4-8-24/h19,22,24-25,31-33H,2-18,20-21H2,1H3,(H,43,44)(H2,34,35,36,37) AIETUBHCUYNJHA-UHFFFAOYSA-N 50247595 CHEMBL4064397 C-X-C chemokine receptor type 4 14 ChEMBL 10.1021/acs.jmedchem.7b01322 10.7270/Q2KH0QRM 29314840 Wu, CH; Song, JS; Kuan, HH; Wu, SH; Chou, MC; Jan, JJ; Tsou, LK; Ke, YY; Chen, CT; Yeh, KC; Wang, SY; Yeh, TK; Tseng, CT; Huang, CL; Wu, MH; Kuo, PC; Lee, CJ; Shia, KS National Health Research Institutes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50247595 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50247595&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 118965395 401961022 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50771479 Cc1cc(NC2CCN(CC2)C(=O)CCNCCC(O)=O)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 InChI=1S/C31H53N11O3/c1-24-21-28(37-26-11-19-41(20-12-26)29(43)9-16-33-17-10-30(44)45)38-31(36-24)35-22-27-23-42(40-39-27)18-6-14-32-13-5-15-34-25-7-3-2-4-8-25/h21,23,25-26,32-34H,2-20,22H2,1H3,(H,44,45)(H2,35,36,37,38) GKQDFXULJYABMB-UHFFFAOYSA-N 50247627 CHEMBL4089763 C-X-C chemokine receptor type 4 72 ChEMBL 10.1021/acs.jmedchem.7b01322 10.7270/Q2KH0QRM 29314840 Wu, CH; Song, JS; Kuan, HH; Wu, SH; Chou, MC; Jan, JJ; Tsou, LK; Ke, YY; Chen, CT; Yeh, KC; Wang, SY; Yeh, TK; Tseng, CT; Huang, CL; Wu, MH; Kuo, PC; Lee, CJ; Shia, KS National Health Research Institutes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50247627 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50247627&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137643051 401961038 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50771485 C(N1CCCNCCNCCCNCC1)c1ccc(CN2CCCNCCNCCCNCC2)cc1 InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2 YIQPUIGJQJDJOS-UHFFFAOYSA-N 50035696 1,1''-{1,4-phenylenebis(methylene)}-bis{1,4,8,11-tetraaza-cyclotetradecane}::1,4,8,11-tetraazacyclotetradecanyl[4-(1,4,8,11-tetraazacyclotetradecanylmethyl)phenyl]methane::1,4,8,11-tetraazacyclotetradecanyl[4-(1,4,8,11-tetraazacyclotetradecanylmethyl)phenyl]methane(8HBr.2H2O)::1,4-bis((1,4,8,11-tetraazacyclotetradecan-1-yl)methyl)benzene::11''-xylyl bis-1,4,8,11-tetraazacyclotetradecane::11-{4-[4,8, 11-1,4,8,11tetraaza-cyclotetradec-1-ylmethyl]-benzyl}-1,4,8,11tetraaza-cyclotetradecane-1,4,8-tricarboxylic acid tri-tert-butyl ester::AMD-3100::CHEMBL18442::CHEMBL2311089::PLERIXAFOR::PLERIXAFOR OCTAHYDROCHLORIDE::US9205085, MSX-162 C-X-C chemokine receptor type 4 213 ChEMBL 10.1021/acs.jmedchem.7b01322 10.7270/Q2KH0QRM 29314840 Wu, CH; Song, JS; Kuan, HH; Wu, SH; Chou, MC; Jan, JJ; Tsou, LK; Ke, YY; Chen, CT; Yeh, KC; Wang, SY; Yeh, TK; Tseng, CT; Huang, CL; Wu, MH; Kuo, PC; Lee, CJ; Shia, KS National Health Research Institutes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50035696 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50035696&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 65015 103943663 CHEMBL2311089CHEMBL18442 DB06809 844 ZINC22443609 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50771486 COc1cc(NC2CCNCC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 InChI=1S/C25H44N10O/c1-36-24-17-23(30-21-9-14-27-15-10-21)31-25(32-24)29-18-22-19-35(34-33-22)16-6-12-26-11-5-13-28-20-7-3-2-4-8-20/h17,19-21,26-28H,2-16,18H2,1H3,(H2,29,30,31,32) CCPBQWVTGQTCJX-UHFFFAOYSA-N 50247628 CHEMBL4083415 C-X-C chemokine receptor type 4 473 ChEMBL 10.1021/acs.jmedchem.7b01322 10.7270/Q2KH0QRM 29314840 Wu, CH; Song, JS; Kuan, HH; Wu, SH; Chou, MC; Jan, JJ; Tsou, LK; Ke, YY; Chen, CT; Yeh, KC; Wang, SY; Yeh, TK; Tseng, CT; Huang, CL; Wu, MH; Kuo, PC; Lee, CJ; Shia, KS National Health Research Institutes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50247628 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50247628&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137646518 401961039 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50771488 Cc1cc(NC2CCNCC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 InChI=1S/C25H44N10/c1-20-17-24(31-22-9-14-27-15-10-22)32-25(30-20)29-18-23-19-35(34-33-23)16-6-12-26-11-5-13-28-21-7-3-2-4-8-21/h17,19,21-22,26-28H,2-16,18H2,1H3,(H2,29,30,31,32) PHHNYNGDTLMQQP-UHFFFAOYSA-N 50247630 CHEMBL4068500 C-X-C chemokine receptor type 4 24 ChEMBL 10.1021/acs.jmedchem.7b01322 10.7270/Q2KH0QRM 29314840 Wu, CH; Song, JS; Kuan, HH; Wu, SH; Chou, MC; Jan, JJ; Tsou, LK; Ke, YY; Chen, CT; Yeh, KC; Wang, SY; Yeh, TK; Tseng, CT; Huang, CL; Wu, MH; Kuo, PC; Lee, CJ; Shia, KS National Health Research Institutes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50247630 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50247630&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137632745 401961040 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50771490 Cc1cc(NC2CCN(CCC(N)=O)CC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 InChI=1S/C28H49N11O/c1-22-19-27(34-24-9-16-38(17-10-24)18-11-26(29)40)35-28(33-22)32-20-25-21-39(37-36-25)15-6-13-30-12-5-14-31-23-7-3-2-4-8-23/h19,21,23-24,30-31H,2-18,20H2,1H3,(H2,29,40)(H2,32,33,34,35) LTSNCDRMCFISRZ-UHFFFAOYSA-N 50247631 CHEMBL4060426 C-X-C chemokine receptor type 4 26 ChEMBL 10.1021/acs.jmedchem.7b01322 10.7270/Q2KH0QRM 29314840 Wu, CH; Song, JS; Kuan, HH; Wu, SH; Chou, MC; Jan, JJ; Tsou, LK; Ke, YY; Chen, CT; Yeh, KC; Wang, SY; Yeh, TK; Tseng, CT; Huang, CL; Wu, MH; Kuo, PC; Lee, CJ; Shia, KS National Health Research Institutes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50247631 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50247631&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137637238 401961041 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50771491 Cc1cc(NC2CCN(CC2)C(=O)CCNCP(O)(O)=O)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 InChI=1S/C29H52N11O4P/c1-23-19-27(35-25-10-17-39(18-11-25)28(41)9-15-31-22-45(42,43)44)36-29(34-23)33-20-26-21-40(38-37-26)16-6-13-30-12-5-14-32-24-7-3-2-4-8-24/h19,21,24-25,30-32H,2-18,20,22H2,1H3,(H2,42,43,44)(H2,33,34,35,36) JCJRGCUSAKXWQO-UHFFFAOYSA-N 50247632 CHEMBL4081892 C-X-C chemokine receptor type 4 92 ChEMBL 10.1021/acs.jmedchem.7b01322 10.7270/Q2KH0QRM 29314840 Wu, CH; Song, JS; Kuan, HH; Wu, SH; Chou, MC; Jan, JJ; Tsou, LK; Ke, YY; Chen, CT; Yeh, KC; Wang, SY; Yeh, TK; Tseng, CT; Huang, CL; Wu, MH; Kuo, PC; Lee, CJ; Shia, KS National Health Research Institutes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50247632 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50247632&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137648113 401961042 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50771493 CN(C1CCN(CC1)C(=O)CCNCC(O)=O)c1cc(C)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 InChI=1S/C31H53N11O3/c1-24-20-28(40(2)27-11-18-41(19-12-27)29(43)10-16-33-22-30(44)45)37-31(36-24)35-21-26-23-42(39-38-26)17-7-14-32-13-6-15-34-25-8-4-3-5-9-25/h20,23,25,27,32-34H,3-19,21-22H2,1-2H3,(H,44,45)(H,35,36,37) XXEHPLDPTJSSFU-UHFFFAOYSA-N 50247633 CHEMBL4079460 C-X-C chemokine receptor type 4 98 ChEMBL 10.1021/acs.jmedchem.7b01322 10.7270/Q2KH0QRM 29314840 Wu, CH; Song, JS; Kuan, HH; Wu, SH; Chou, MC; Jan, JJ; Tsou, LK; Ke, YY; Chen, CT; Yeh, KC; Wang, SY; Yeh, TK; Tseng, CT; Huang, CL; Wu, MH; Kuo, PC; Lee, CJ; Shia, KS National Health Research Institutes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50247633 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50247633&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 118965398 401961043 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50897855 C(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)CNCc1cccnc1 InChI=1S/C29H37N5/c1-2-10-26-21-33-27(18-25(26)9-1)22-34(28-13-5-11-24-12-7-16-32-29(24)28)17-4-3-14-30-19-23-8-6-15-31-20-23/h1-2,6-10,12,15-16,20,27-28,30,33H,3-5,11,13-14,17-19,21-22H2/t27-,28+/m1/s1 ZWRNWGSOEVSTSJ-IZLXSDGUSA-N 50270028 CHEMBL4071612 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.7b01420 10.7270/Q2KH0QTH 29350534 Miller, EJ; Jecs, E; Truax, VM; Katzman, BM; Tahirovic, YA; Wilson, RJ; Kuo, KM; Kim, MB; Nguyen, HH; Saindane, MT; Zhao, H; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270028 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270028&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137638242 404961811 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50897936 C(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)CNCC1CCCCC1 InChI=1S/C30H44N4/c1-2-10-24(11-3-1)21-31-17-6-7-19-34(29-16-8-14-25-15-9-18-32-30(25)29)23-28-20-26-12-4-5-13-27(26)22-33-28/h4-5,9,12-13,15,18,24,28-29,31,33H,1-3,6-8,10-11,14,16-17,19-23H2/t28-,29+/m1/s1 LGZXNSNDFUQXOX-WDYNHAJCSA-N 50270033 CHEMBL4084652 C-X-C chemokine receptor type 4 158 ChEMBL 10.1021/acs.jmedchem.7b01420 10.7270/Q2KH0QTH 29350534 Miller, EJ; Jecs, E; Truax, VM; Katzman, BM; Tahirovic, YA; Wilson, RJ; Kuo, KM; Kim, MB; Nguyen, HH; Saindane, MT; Zhao, H; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270033 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270033&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137646125 404961813 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50897982 FC1(F)CCC(CC1)NCCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 InChI=1S/C29H40F2N4/c30-29(31)14-12-25(13-15-29)32-16-3-4-18-35(27-11-5-9-22-10-6-17-33-28(22)27)21-26-19-23-7-1-2-8-24(23)20-34-26/h1-2,6-8,10,17,25-27,32,34H,3-5,9,11-16,18-21H2/t26-,27+/m1/s1 KVZDMWMWTDNKDM-SXOMAYOGSA-N 50270038 CHEMBL4062223 C-X-C chemokine receptor type 4 3.7 ChEMBL 10.1021/acs.jmedchem.7b01420 10.7270/Q2KH0QTH 29350534 Miller, EJ; Jecs, E; Truax, VM; Katzman, BM; Tahirovic, YA; Wilson, RJ; Kuo, KM; Kim, MB; Nguyen, HH; Saindane, MT; Zhao, H; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270038 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270038&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137635041 404961818 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50897984 NCc1cccc(CN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc23)c1 InChI=1S/C27H32N4/c28-16-20-6-3-7-21(14-20)18-31(26-12-4-10-22-11-5-13-29-27(22)26)19-25-15-23-8-1-2-9-24(23)17-30-25/h1-3,5-9,11,13-14,25-26,30H,4,10,12,15-19,28H2/t25-,26+/m1/s1 MUQGXMRSNYTSLA-FTJBHMTQSA-N 50270047 CHEMBL4075694 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.7b01420 10.7270/Q2KH0QTH 29350534 Miller, EJ; Jecs, E; Truax, VM; Katzman, BM; Tahirovic, YA; Wilson, RJ; Kuo, KM; Kim, MB; Nguyen, HH; Saindane, MT; Zhao, H; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270047 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270047&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 135313773 404961823 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50897990 C(NCc1ccncc1)\C=C\CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 InChI=1S/C29H35N5/c1-2-8-26-21-33-27(19-25(26)7-1)22-34(28-11-5-9-24-10-6-15-32-29(24)28)18-4-3-14-31-20-23-12-16-30-17-13-23/h1-4,6-8,10,12-13,15-17,27-28,31,33H,5,9,11,14,18-22H2/b4-3+/t27-,28+/m1/s1 HSCURGZCDKRUEI-FENCIZKFSA-N 50270020 CHEMBL4090772 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.7b01420 10.7270/Q2KH0QTH 29350534 Miller, EJ; Jecs, E; Truax, VM; Katzman, BM; Tahirovic, YA; Wilson, RJ; Kuo, KM; Kim, MB; Nguyen, HH; Saindane, MT; Zhao, H; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270020 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270020&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 135314390 104115405 37954 ZINC03860193 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50897994 C(NCc1cccnc1)c1ccc(CN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc23)cc1 InChI=1S/C33H37N5/c1-2-8-30-22-37-31(18-29(30)7-1)24-38(32-11-3-9-28-10-5-17-36-33(28)32)23-26-14-12-25(13-15-26)19-35-21-27-6-4-16-34-20-27/h1-2,4-8,10,12-17,20,31-32,35,37H,3,9,11,18-19,21-24H2/t31-,32+/m1/s1 LMTVSDLVMVDXEP-ZWXJPIIXSA-N 50270295 CHEMBL4099550 C-X-C chemokine receptor type 4 61 ChEMBL 10.1021/acs.jmedchem.7b01420 10.7270/Q2KH0QTH 29350534 Miller, EJ; Jecs, E; Truax, VM; Katzman, BM; Tahirovic, YA; Wilson, RJ; Kuo, KM; Kim, MB; Nguyen, HH; Saindane, MT; Zhao, H; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270295 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270295&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 135313574 404961845 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50897995 C(NCc1ccc(CN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc23)cc1)c1ccncc1 InChI=1S/C33H37N5/c1-2-6-30-22-37-31(19-29(30)5-1)24-38(32-9-3-7-28-8-4-16-36-33(28)32)23-27-12-10-25(11-13-27)20-35-21-26-14-17-34-18-15-26/h1-2,4-6,8,10-18,31-32,35,37H,3,7,9,19-24H2/t31-,32+/m1/s1 ZVAPDTKXMZXVSP-ZWXJPIIXSA-N 50270279 CHEMBL4083122 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.7b01420 10.7270/Q2KH0QTH 29350534 Miller, EJ; Jecs, E; Truax, VM; Katzman, BM; Tahirovic, YA; Wilson, RJ; Kuo, KM; Kim, MB; Nguyen, HH; Saindane, MT; Zhao, H; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270279 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270279&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 135314386 404961833 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50897996 C(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)CNC1CCNCC1 InChI=1S/C28H41N5/c1-2-8-24-20-32-26(19-23(24)7-1)21-33(18-4-3-14-30-25-12-16-29-17-13-25)27-11-5-9-22-10-6-15-31-28(22)27/h1-2,6-8,10,15,25-27,29-30,32H,3-5,9,11-14,16-21H2/t26-,27+/m1/s1 BLOHFKPUNFANKF-SXOMAYOGSA-N 50270044 CHEMBL4089307 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.7b01420 10.7270/Q2KH0QTH 29350534 Miller, EJ; Jecs, E; Truax, VM; Katzman, BM; Tahirovic, YA; Wilson, RJ; Kuo, KM; Kim, MB; Nguyen, HH; Saindane, MT; Zhao, H; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270044 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270044&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137641652 404961820 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50897998 C(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)CNCC1CCCCC1 InChI=1S/C30H44N4/c1-2-10-24(11-3-1)21-31-17-6-7-19-34(29-16-8-14-25-15-9-18-32-30(25)29)23-28-20-26-12-4-5-13-27(26)22-33-28/h4-5,9,12-13,15,18,24,28-29,31,33H,1-3,6-8,10-11,14,16-17,19-23H2/t28-,29+/m1/s1 LGZXNSNDFUQXOX-WDYNHAJCSA-N 50270033 CHEMBL4084652 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.7b01420 10.7270/Q2KH0QTH 29350534 Miller, EJ; Jecs, E; Truax, VM; Katzman, BM; Tahirovic, YA; Wilson, RJ; Kuo, KM; Kim, MB; Nguyen, HH; Saindane, MT; Zhao, H; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270033 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270033&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137646125 404961813 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50898351 C(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)CN(Cc1ccncc1)Cc1ccncc1 InChI=1S/C35H42N6/c1-2-8-32-24-39-33(23-31(32)7-1)27-41(34-11-5-9-30-10-6-16-38-35(30)34)22-4-3-21-40(25-28-12-17-36-18-13-28)26-29-14-19-37-20-15-29/h1-2,6-8,10,12-20,33-34,39H,3-5,9,11,21-27H2/t33-,34+/m1/s1 ZEEABZKRGAFENX-NOCHOARKSA-N 50270027 CHEMBL4105591 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.7b01420 10.7270/Q2KH0QTH 29350534 Miller, EJ; Jecs, E; Truax, VM; Katzman, BM; Tahirovic, YA; Wilson, RJ; Kuo, KM; Kim, MB; Nguyen, HH; Saindane, MT; Zhao, H; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270027 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270027&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137657547 404961810 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50898399 C(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)CNC1CCSCC1 InChI=1S/C28H40N4S/c1-2-8-24-20-31-26(19-23(24)7-1)21-32(16-4-3-14-29-25-12-17-33-18-13-25)27-11-5-9-22-10-6-15-30-28(22)27/h1-2,6-8,10,15,25-27,29,31H,3-5,9,11-14,16-21H2/t26-,27+/m1/s1 ISYILQOWKQBKJP-SXOMAYOGSA-N 50270291 CHEMBL4068122 C-X-C chemokine receptor type 4 55 ChEMBL 10.1021/acs.jmedchem.7b01420 10.7270/Q2KH0QTH 29350534 Miller, EJ; Jecs, E; Truax, VM; Katzman, BM; Tahirovic, YA; Wilson, RJ; Kuo, KM; Kim, MB; Nguyen, HH; Saindane, MT; Zhao, H; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270291 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270291&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137633431 404961841 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50898442 C(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)CNCc1ccccc1 InChI=1S/C30H38N4/c1-2-10-24(11-3-1)21-31-17-6-7-19-34(29-16-8-14-25-15-9-18-32-30(25)29)23-28-20-26-12-4-5-13-27(26)22-33-28/h1-5,9-13,15,18,28-29,31,33H,6-8,14,16-17,19-23H2/t28-,29+/m1/s1 MWUZFFWTKOGEKF-WDYNHAJCSA-N 50270288 CHEMBL4062981 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.7b01420 10.7270/Q2KH0QTH 29350534 Miller, EJ; Jecs, E; Truax, VM; Katzman, BM; Tahirovic, YA; Wilson, RJ; Kuo, KM; Kim, MB; Nguyen, HH; Saindane, MT; Zhao, H; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270288 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270288&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137637838 404961838 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50898449 FC1(F)CCC(CC1)NCCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 InChI=1S/C29H40F2N4/c30-29(31)14-12-25(13-15-29)32-16-3-4-18-35(27-11-5-9-22-10-6-17-33-28(22)27)21-26-19-23-7-1-2-8-24(23)20-34-26/h1-2,6-8,10,17,25-27,32,34H,3-5,9,11-16,18-21H2/t26-,27+/m1/s1 KVZDMWMWTDNKDM-SXOMAYOGSA-N 50270038 CHEMBL4062223 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.7b01420 10.7270/Q2KH0QTH 29350534 Miller, EJ; Jecs, E; Truax, VM; Katzman, BM; Tahirovic, YA; Wilson, RJ; Kuo, KM; Kim, MB; Nguyen, HH; Saindane, MT; Zhao, H; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270038 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270038&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137635041 404961818 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50898471 C(NCc1cccnc1)\C=C\CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 InChI=1S/C29H35N5/c1-2-10-26-21-33-27(18-25(26)9-1)22-34(28-13-5-11-24-12-7-16-32-29(24)28)17-4-3-14-30-19-23-8-6-15-31-20-23/h1-4,6-10,12,15-16,20,27-28,30,33H,5,11,13-14,17-19,21-22H2/b4-3+/t27-,28+/m1/s1 SKGLJORAKHJXMQ-FENCIZKFSA-N 50270297 CHEMBL4066459 C-X-C chemokine receptor type 4 93 ChEMBL 10.1021/acs.jmedchem.7b01420 10.7270/Q2KH0QTH 29350534 Miller, EJ; Jecs, E; Truax, VM; Katzman, BM; Tahirovic, YA; Wilson, RJ; Kuo, KM; Kim, MB; Nguyen, HH; Saindane, MT; Zhao, H; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270297 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270297&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 135314252 404961847 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50898478 C(NC1CCOCC1)c1ccc(CN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc23)cc1 InChI=1S/C32H40N4O/c1-2-6-28-21-35-30(19-27(28)5-1)23-36(31-9-3-7-26-8-4-16-33-32(26)31)22-25-12-10-24(11-13-25)20-34-29-14-17-37-18-15-29/h1-2,4-6,8,10-13,16,29-31,34-35H,3,7,9,14-15,17-23H2/t30-,31+/m1/s1 REMRQQHCGVYVPH-JSOSNVBQSA-N 50270110 CHEMBL4089531 C-X-C chemokine receptor type 4 90 ChEMBL 10.1021/acs.jmedchem.7b01420 10.7270/Q2KH0QTH 29350534 Miller, EJ; Jecs, E; Truax, VM; Katzman, BM; Tahirovic, YA; Wilson, RJ; Kuo, KM; Kim, MB; Nguyen, HH; Saindane, MT; Zhao, H; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270110 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270110&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 135314337 404961830 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50898483 CC(C)(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)CNC1CCC(C)(C)CC1 InChI=1S/C33H50N4/c1-32(2)16-14-28(15-17-32)36-24-33(3,4)18-20-37(30-13-7-11-25-12-8-19-34-31(25)30)23-29-21-26-9-5-6-10-27(26)22-35-29/h5-6,8-10,12,19,28-30,35-36H,7,11,13-18,20-24H2,1-4H3/t29-,30+/m1/s1 JSBXUFQJCIWBMY-IHLOFXLRSA-N 50270024 CHEMBL4086662 C-X-C chemokine receptor type 4 541 ChEMBL 10.1021/acs.jmedchem.7b01420 10.7270/Q2KH0QTH 29350534 Miller, EJ; Jecs, E; Truax, VM; Katzman, BM; Tahirovic, YA; Wilson, RJ; Kuo, KM; Kim, MB; Nguyen, HH; Saindane, MT; Zhao, H; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270024 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270024&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137644813 404961807 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50898485 NC\C=C\CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 InChI=1S/C23H30N4/c24-12-3-4-14-27(22-11-5-9-18-10-6-13-25-23(18)22)17-21-15-19-7-1-2-8-20(19)16-26-21/h1-4,6-8,10,13,21-22,26H,5,9,11-12,14-17,24H2/b4-3+/t21-,22+/m1/s1 VUXQRANDPGSPRS-DTDVHRGSSA-N 50270293 CHEMBL4086147 C-X-C chemokine receptor type 4 129 ChEMBL 10.1021/acs.jmedchem.7b01420 10.7270/Q2KH0QTH 29350534 Miller, EJ; Jecs, E; Truax, VM; Katzman, BM; Tahirovic, YA; Wilson, RJ; Kuo, KM; Kim, MB; Nguyen, HH; Saindane, MT; Zhao, H; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270293 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270293&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137641749 404961843 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50898493 CC(C)(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)CNC1CCOCC1 InChI=1S/C30H44N4O/c1-30(2,22-33-26-12-17-35-18-13-26)14-16-34(28-11-5-9-23-10-6-15-31-29(23)28)21-27-19-24-7-3-4-8-25(24)20-32-27/h3-4,6-8,10,15,26-28,32-33H,5,9,11-14,16-22H2,1-2H3/t27-,28+/m1/s1 BMSOROVJUNRKSM-IZLXSDGUSA-N 50270019 CHEMBL4065224 C-X-C chemokine receptor type 4 36 ChEMBL 10.1021/acs.jmedchem.7b01420 10.7270/Q2KH0QTH 29350534 Miller, EJ; Jecs, E; Truax, VM; Katzman, BM; Tahirovic, YA; Wilson, RJ; Kuo, KM; Kim, MB; Nguyen, HH; Saindane, MT; Zhao, H; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270019 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270019&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137633531 104115404 52836 ZINC29056295 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50898511 NCc1ccccc1CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 InChI=1S/C27H32N4/c28-16-22-8-2-4-10-24(22)18-31(26-13-5-11-20-12-6-14-29-27(20)26)19-25-15-21-7-1-3-9-23(21)17-30-25/h1-4,6-10,12,14,25-26,30H,5,11,13,15-19,28H2/t25-,26+/m1/s1 WDRULORDXYZPQS-FTJBHMTQSA-N 50270292 CHEMBL4084920 C-X-C chemokine receptor type 4 51 ChEMBL 10.1021/acs.jmedchem.7b01420 10.7270/Q2KH0QTH 29350534 Miller, EJ; Jecs, E; Truax, VM; Katzman, BM; Tahirovic, YA; Wilson, RJ; Kuo, KM; Kim, MB; Nguyen, HH; Saindane, MT; Zhao, H; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270292 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270292&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137647336 404961842 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50898542 CC(C)(N)CCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 InChI=1S/C25H36N4/c1-25(2,26)13-7-15-29(23-12-5-10-19-11-6-14-27-24(19)23)18-22-16-20-8-3-4-9-21(20)17-28-22/h3-4,6,8-9,11,14,22-23,28H,5,7,10,12-13,15-18,26H2,1-2H3/t22-,23+/m1/s1 OWWQLCCEAAGOJW-PKTZIBPZSA-N 50270052 CHEMBL4080718 C-X-C chemokine receptor type 4 25 ChEMBL 10.1021/acs.jmedchem.7b01420 10.7270/Q2KH0QTH 29350534 Miller, EJ; Jecs, E; Truax, VM; Katzman, BM; Tahirovic, YA; Wilson, RJ; Kuo, KM; Kim, MB; Nguyen, HH; Saindane, MT; Zhao, H; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270052 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270052&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137647838 404961828 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50898549 FC1(F)CCC(CC1)NC\C=C\CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 InChI=1S/C29H38F2N4/c30-29(31)14-12-25(13-15-29)32-16-3-4-18-35(27-11-5-9-22-10-6-17-33-28(22)27)21-26-19-23-7-1-2-8-24(23)20-34-26/h1-4,6-8,10,17,25-27,32,34H,5,9,11-16,18-21H2/b4-3+/t26-,27+/m1/s1 UOJYAHYPXYXUMQ-FITNPZAZSA-N 50270296 CHEMBL4094123 C-X-C chemokine receptor type 4 82 ChEMBL 10.1021/acs.jmedchem.7b01420 10.7270/Q2KH0QTH 29350534 Miller, EJ; Jecs, E; Truax, VM; Katzman, BM; Tahirovic, YA; Wilson, RJ; Kuo, KM; Kim, MB; Nguyen, HH; Saindane, MT; Zhao, H; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270296 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270296&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 135313963 404961846 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50898580 CC(C)(CCN)CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 InChI=1S/C25H36N4/c1-25(2,12-13-26)18-29(23-11-5-9-19-10-6-14-27-24(19)23)17-22-15-20-7-3-4-8-21(20)16-28-22/h3-4,6-8,10,14,22-23,28H,5,9,11-13,15-18,26H2,1-2H3/t22-,23+/m1/s1 NRNCSKFZIIWUCS-PKTZIBPZSA-N 50270050 CHEMBL4104056 C-X-C chemokine receptor type 4 >33300 ChEMBL 10.1021/acs.jmedchem.7b01420 10.7270/Q2KH0QTH 29350534 Miller, EJ; Jecs, E; Truax, VM; Katzman, BM; Tahirovic, YA; Wilson, RJ; Kuo, KM; Kim, MB; Nguyen, HH; Saindane, MT; Zhao, H; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270050 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270050&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137656780 404961826 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50898612 C(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)CNCc1ccccn1 InChI=1S/C29H37N5/c1-2-10-25-20-33-27(19-24(25)9-1)22-34(28-14-7-11-23-12-8-17-32-29(23)28)18-6-5-15-30-21-26-13-3-4-16-31-26/h1-4,8-10,12-13,16-17,27-28,30,33H,5-7,11,14-15,18-22H2/t27-,28+/m1/s1 DBUIDMKLHBXFJG-IZLXSDGUSA-N 50443545 CHEMBL3091683 C-X-C chemokine receptor type 4 90 ChEMBL 10.1021/acs.jmedchem.7b01420 10.7270/Q2KH0QTH 29350534 Miller, EJ; Jecs, E; Truax, VM; Katzman, BM; Tahirovic, YA; Wilson, RJ; Kuo, KM; Kim, MB; Nguyen, HH; Saindane, MT; Zhao, H; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50443545 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50443545&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 76324529 194941441 CHEMBL3091683 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50898613 C(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)CN(Cc1cccnc1)Cc1cccnc1 InChI=1S/C35H42N6/c1-2-12-32-24-39-33(21-31(32)11-1)27-41(34-15-5-13-30-14-8-18-38-35(30)34)20-4-3-19-40(25-28-9-6-16-36-22-28)26-29-10-7-17-37-23-29/h1-2,6-12,14,16-18,22-23,33-34,39H,3-5,13,15,19-21,24-27H2/t33-,34+/m1/s1 CFJSRSLPNHMHBB-NOCHOARKSA-N 50270026 CHEMBL4081338 C-X-C chemokine receptor type 4 471 ChEMBL 10.1021/acs.jmedchem.7b01420 10.7270/Q2KH0QTH 29350534 Miller, EJ; Jecs, E; Truax, VM; Katzman, BM; Tahirovic, YA; Wilson, RJ; Kuo, KM; Kim, MB; Nguyen, HH; Saindane, MT; Zhao, H; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270026 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270026&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137647643 404961809 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50898614 C(NCC1CCOCC1)\C=C\CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 InChI=1S/C29H40N4O/c1-2-8-26-21-32-27(19-25(26)7-1)22-33(28-11-5-9-24-10-6-15-31-29(24)28)16-4-3-14-30-20-23-12-17-34-18-13-23/h1-4,6-8,10,15,23,27-28,30,32H,5,9,11-14,16-22H2/b4-3+/t27-,28+/m1/s1 NPGGQYKPWKEPMR-FENCIZKFSA-N 50270016 CHEMBL4070320 C-X-C chemokine receptor type 4 24 ChEMBL 10.1021/acs.jmedchem.7b01420 10.7270/Q2KH0QTH 29350534 Miller, EJ; Jecs, E; Truax, VM; Katzman, BM; Tahirovic, YA; Wilson, RJ; Kuo, KM; Kim, MB; Nguyen, HH; Saindane, MT; Zhao, H; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270016 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270016&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 135314141 104115401 ZINC44307531 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50898615 C(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)CNCC1CCOCC1 InChI=1S/C29H42N4O/c1-2-8-26-21-32-27(19-25(26)7-1)22-33(28-11-5-9-24-10-6-15-31-29(24)28)16-4-3-14-30-20-23-12-17-34-18-13-23/h1-2,6-8,10,15,23,27-28,30,32H,3-5,9,11-14,16-22H2/t27-,28+/m1/s1 UWRHBQJVXGUUAS-IZLXSDGUSA-N 50270289 CHEMBL4074366 C-X-C chemokine receptor type 4 53 ChEMBL 10.1021/acs.jmedchem.7b01420 10.7270/Q2KH0QTH 29350534 Miller, EJ; Jecs, E; Truax, VM; Katzman, BM; Tahirovic, YA; Wilson, RJ; Kuo, KM; Kim, MB; Nguyen, HH; Saindane, MT; Zhao, H; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270289 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270289&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137640474 404961839 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50898616 O=S1(=O)CCC(CC1)NCCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 InChI=1S/C28H40N4O2S/c33-35(34)17-12-25(13-18-35)29-14-3-4-16-32(27-11-5-9-22-10-6-15-30-28(22)27)21-26-19-23-7-1-2-8-24(23)20-31-26/h1-2,6-8,10,15,25-27,29,31H,3-5,9,11-14,16-21H2/t26-,27+/m1/s1 RLDXRZALYBNDPT-SXOMAYOGSA-N 50270045 CHEMBL4081436 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.7b01420 10.7270/Q2KH0QTH 29350534 Miller, EJ; Jecs, E; Truax, VM; Katzman, BM; Tahirovic, YA; Wilson, RJ; Kuo, KM; Kim, MB; Nguyen, HH; Saindane, MT; Zhao, H; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270045 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270045&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137647645 404961821 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50898619 O=S1(=O)CCC(CNCCCCN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc23)CC1 InChI=1S/C29H42N4O2S/c34-36(35)17-12-23(13-18-36)20-30-14-3-4-16-33(28-11-5-9-24-10-6-15-31-29(24)28)22-27-19-25-7-1-2-8-26(25)21-32-27/h1-2,6-8,10,15,23,27-28,30,32H,3-5,9,11-14,16-22H2/t27-,28+/m1/s1 DCUHJYNCNGXTKN-IZLXSDGUSA-N 50270037 CHEMBL4070843 C-X-C chemokine receptor type 4 17 ChEMBL 10.1021/acs.jmedchem.7b01420 10.7270/Q2KH0QTH 29350534 Miller, EJ; Jecs, E; Truax, VM; Katzman, BM; Tahirovic, YA; Wilson, RJ; Kuo, KM; Kim, MB; Nguyen, HH; Saindane, MT; Zhao, H; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270037 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270037&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137639251 404961817 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50898620 CC1(C)CCC(CC1)NCc1ccc(CN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc23)cc1 InChI=1S/C35H46N4/c1-35(2)18-16-31(17-19-35)37-22-26-12-14-27(15-13-26)24-39(33-11-5-9-28-10-6-20-36-34(28)33)25-32-21-29-7-3-4-8-30(29)23-38-32/h3-4,6-8,10,12-15,20,31-33,37-38H,5,9,11,16-19,21-25H2,1-2H3/t32-,33+/m1/s1 LBNCYBAXRNMAKW-SAIUNTKASA-N 50270111 CHEMBL4061381 C-X-C chemokine receptor type 4 661 ChEMBL 10.1021/acs.jmedchem.7b01420 10.7270/Q2KH0QTH 29350534 Miller, EJ; Jecs, E; Truax, VM; Katzman, BM; Tahirovic, YA; Wilson, RJ; Kuo, KM; Kim, MB; Nguyen, HH; Saindane, MT; Zhao, H; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270111 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270111&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 135313618 404961831 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50898621 CC(C)(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)CNCC1CCOCC1 InChI=1S/C31H46N4O/c1-31(2,23-32-20-24-12-17-36-18-13-24)14-16-35(29-11-5-9-25-10-6-15-33-30(25)29)22-28-19-26-7-3-4-8-27(26)21-34-28/h3-4,6-8,10,15,24,28-29,32,34H,5,9,11-14,16-23H2,1-2H3/t28-,29+/m1/s1 HJXPGNYZSGLODV-WDYNHAJCSA-N 50270023 CHEMBL4073818 C-X-C chemokine receptor type 4 44 ChEMBL 10.1021/acs.jmedchem.7b01420 10.7270/Q2KH0QTH 29350534 Miller, EJ; Jecs, E; Truax, VM; Katzman, BM; Tahirovic, YA; Wilson, RJ; Kuo, KM; Kim, MB; Nguyen, HH; Saindane, MT; Zhao, H; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270023 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270023&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137640446 404961806 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50898623 C(NCc1ccccn1)\C=C\CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 InChI=1S/C29H35N5/c1-2-10-25-20-33-27(19-24(25)9-1)22-34(28-14-7-11-23-12-8-17-32-29(23)28)18-6-5-15-30-21-26-13-3-4-16-31-26/h1-6,8-10,12-13,16-17,27-28,30,33H,7,11,14-15,18-22H2/b6-5+/t27-,28+/m1/s1 KKUZNBPYLQBJGJ-HGYCFVDHSA-N 50270281 CHEMBL4081958 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.7b01420 10.7270/Q2KH0QTH 29350534 Miller, EJ; Jecs, E; Truax, VM; Katzman, BM; Tahirovic, YA; Wilson, RJ; Kuo, KM; Kim, MB; Nguyen, HH; Saindane, MT; Zhao, H; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270281 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270281&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 135314251 404961835 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50898624 C(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)CNCC1CCSCC1 InChI=1S/C29H42N4S/c1-2-8-26-21-32-27(19-25(26)7-1)22-33(28-11-5-9-24-10-6-15-31-29(24)28)16-4-3-14-30-20-23-12-17-34-18-13-23/h1-2,6-8,10,15,23,27-28,30,32H,3-5,9,11-14,16-22H2/t27-,28+/m1/s1 VMUZNUDUOJPDTC-IZLXSDGUSA-N 50270036 CHEMBL4065751 C-X-C chemokine receptor type 4 70 ChEMBL 10.1021/acs.jmedchem.7b01420 10.7270/Q2KH0QTH 29350534 Miller, EJ; Jecs, E; Truax, VM; Katzman, BM; Tahirovic, YA; Wilson, RJ; Kuo, KM; Kim, MB; Nguyen, HH; Saindane, MT; Zhao, H; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270036 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270036&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137634107 404961816 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50898625 C(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)CNC1CCOCC1 InChI=1S/C28H40N4O/c1-2-8-24-20-31-26(19-23(24)7-1)21-32(16-4-3-14-29-25-12-17-33-18-13-25)27-11-5-9-22-10-6-15-30-28(22)27/h1-2,6-8,10,15,25-27,29,31H,3-5,9,11-14,16-21H2/t26-,27+/m1/s1 RKAMQPGAELEERO-SXOMAYOGSA-N 50270043 CHEMBL4090235 C-X-C chemokine receptor type 4 29 ChEMBL 10.1021/acs.jmedchem.7b01420 10.7270/Q2KH0QTH 29350534 Miller, EJ; Jecs, E; Truax, VM; Katzman, BM; Tahirovic, YA; Wilson, RJ; Kuo, KM; Kim, MB; Nguyen, HH; Saindane, MT; Zhao, H; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270043 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270043&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137643317 404961819 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50898628 C(NCc1ccc(CN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc23)cc1)C1CCOCC1 InChI=1S/C33H42N4O/c1-2-6-30-22-36-31(19-29(30)5-1)24-37(32-9-3-7-28-8-4-16-35-33(28)32)23-27-12-10-25(11-13-27)20-34-21-26-14-17-38-18-15-26/h1-2,4-6,8,10-13,16,26,31-32,34,36H,3,7,9,14-15,17-24H2/t31-,32+/m1/s1 SGYSZCMQJNBMFO-ZWXJPIIXSA-N 50270294 CHEMBL4059622 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.7b01420 10.7270/Q2KH0QTH 29350534 Miller, EJ; Jecs, E; Truax, VM; Katzman, BM; Tahirovic, YA; Wilson, RJ; Kuo, KM; Kim, MB; Nguyen, HH; Saindane, MT; Zhao, H; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270294 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270294&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 135314469 404961844 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50898629 C(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)CNC1CCCCC1 InChI=1S/C29H42N4/c1-2-14-26(15-3-1)30-17-6-7-19-33(28-16-8-12-23-13-9-18-31-29(23)28)22-27-20-24-10-4-5-11-25(24)21-32-27/h4-5,9-11,13,18,26-28,30,32H,1-3,6-8,12,14-17,19-22H2/t27-,28+/m1/s1 AEOPBRLVLXDVLL-IZLXSDGUSA-N 50270290 CHEMBL4097946 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.7b01420 10.7270/Q2KH0QTH 29350534 Miller, EJ; Jecs, E; Truax, VM; Katzman, BM; Tahirovic, YA; Wilson, RJ; Kuo, KM; Kim, MB; Nguyen, HH; Saindane, MT; Zhao, H; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270290 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270290&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137662026 404961840 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50898644 CC1(C)CCC(CC1)NC\C=C\CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 InChI=1S/C31H44N4/c1-31(2)16-14-27(15-17-31)32-18-5-6-20-35(29-13-7-11-24-12-8-19-33-30(24)29)23-28-21-25-9-3-4-10-26(25)22-34-28/h3-6,8-10,12,19,27-29,32,34H,7,11,13-18,20-23H2,1-2H3/b6-5+/t28-,29+/m1/s1 DZNHRLXBJDORJM-HWPOCXGGSA-N 50270280 CHEMBL4098635 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.7b01420 10.7270/Q2KH0QTH 29350534 Miller, EJ; Jecs, E; Truax, VM; Katzman, BM; Tahirovic, YA; Wilson, RJ; Kuo, KM; Kim, MB; Nguyen, HH; Saindane, MT; Zhao, H; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270280 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270280&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 135314329 404961834 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50898672 C(NC1CCOCC1)\C=C\CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 InChI=1S/C28H38N4O/c1-2-8-24-20-31-26(19-23(24)7-1)21-32(16-4-3-14-29-25-12-17-33-18-13-25)27-11-5-9-22-10-6-15-30-28(22)27/h1-4,6-8,10,15,25-27,29,31H,5,9,11-14,16-21H2/b4-3+/t26-,27+/m1/s1 QPAGOTNPJABYCP-FITNPZAZSA-N 50270018 CHEMBL4075205 C-X-C chemokine receptor type 4 16 ChEMBL 10.1021/acs.jmedchem.7b01420 10.7270/Q2KH0QTH 29350534 Miller, EJ; Jecs, E; Truax, VM; Katzman, BM; Tahirovic, YA; Wilson, RJ; Kuo, KM; Kim, MB; Nguyen, HH; Saindane, MT; Zhao, H; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270018 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270018&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 133081963 104115403 29067 ZINC03872582 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50898674 C(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)CN(Cc1ccccc1)Cc1ccccc1 InChI=1S/C37H44N4/c1-3-13-30(14-4-1)27-40(28-31-15-5-2-6-16-31)23-9-10-24-41(36-21-11-19-32-20-12-22-38-37(32)36)29-35-25-33-17-7-8-18-34(33)26-39-35/h1-8,12-18,20,22,35-36,39H,9-11,19,21,23-29H2/t35-,36+/m1/s1 PCNVYDZQYJVYOG-XDSPJLLDSA-N 50270287 CHEMBL4082134 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.7b01420 10.7270/Q2KH0QTH 29350534 Miller, EJ; Jecs, E; Truax, VM; Katzman, BM; Tahirovic, YA; Wilson, RJ; Kuo, KM; Kim, MB; Nguyen, HH; Saindane, MT; Zhao, H; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270287 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270287&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137647184 404961837 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50898675 C(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)CNCC1CCSCC1 InChI=1S/C29H42N4S/c1-2-8-26-21-32-27(19-25(26)7-1)22-33(28-11-5-9-24-10-6-15-31-29(24)28)16-4-3-14-30-20-23-12-17-34-18-13-23/h1-2,6-8,10,15,23,27-28,30,32H,3-5,9,11-14,16-22H2/t27-,28+/m1/s1 VMUZNUDUOJPDTC-IZLXSDGUSA-N 50270036 CHEMBL4065751 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.7b01420 10.7270/Q2KH0QTH 29350534 Miller, EJ; Jecs, E; Truax, VM; Katzman, BM; Tahirovic, YA; Wilson, RJ; Kuo, KM; Kim, MB; Nguyen, HH; Saindane, MT; Zhao, H; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270036 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270036&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137634107 404961816 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50898676 CC(C)(CN)CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 InChI=1S/C25H36N4/c1-25(2,18-26)12-14-29(23-11-5-9-19-10-6-13-27-24(19)23)17-22-15-20-7-3-4-8-21(20)16-28-22/h3-4,6-8,10,13,22-23,28H,5,9,11-12,14-18,26H2,1-2H3/t22-,23+/m1/s1 YPWOVOYHSYFRRC-PKTZIBPZSA-N 50270051 CHEMBL4104948 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.7b01420 10.7270/Q2KH0QTH 29350534 Miller, EJ; Jecs, E; Truax, VM; Katzman, BM; Tahirovic, YA; Wilson, RJ; Kuo, KM; Kim, MB; Nguyen, HH; Saindane, MT; Zhao, H; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270051 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270051&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137657247 404961827 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50898678 CC(C)(CCN)CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 InChI=1S/C25H36N4/c1-25(2,12-13-26)18-29(23-11-5-9-19-10-6-14-27-24(19)23)17-22-15-20-7-3-4-8-21(20)16-28-22/h3-4,6-8,10,14,22-23,28H,5,9,11-13,15-18,26H2,1-2H3/t22-,23+/m1/s1 NRNCSKFZIIWUCS-PKTZIBPZSA-N 50270050 CHEMBL4104056 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.7b01420 10.7270/Q2KH0QTH 29350534 Miller, EJ; Jecs, E; Truax, VM; Katzman, BM; Tahirovic, YA; Wilson, RJ; Kuo, KM; Kim, MB; Nguyen, HH; Saindane, MT; Zhao, H; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270050 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270050&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137656780 404961826 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50898679 FC1(F)CCC(CC1)NCc1ccc(CN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc23)cc1 InChI=1S/C33H40F2N4/c34-33(35)16-14-29(15-17-33)37-20-24-10-12-25(13-11-24)22-39(31-9-3-7-26-8-4-18-36-32(26)31)23-30-19-27-5-1-2-6-28(27)21-38-30/h1-2,4-6,8,10-13,18,29-31,37-38H,3,7,9,14-17,19-23H2/t30-,31+/m1/s1 VXFZOKLPMVMVEZ-JSOSNVBQSA-N 50270053 CHEMBL4088588 C-X-C chemokine receptor type 4 143 ChEMBL 10.1021/acs.jmedchem.7b01420 10.7270/Q2KH0QTH 29350534 Miller, EJ; Jecs, E; Truax, VM; Katzman, BM; Tahirovic, YA; Wilson, RJ; Kuo, KM; Kim, MB; Nguyen, HH; Saindane, MT; Zhao, H; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270053 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270053&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 135313899 404961829 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50898680 FC1(F)CCC(CC1)NC\C=C\CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 InChI=1S/C29H38F2N4/c30-29(31)14-12-25(13-15-29)32-16-3-4-18-35(27-11-5-9-22-10-6-17-33-28(22)27)21-26-19-23-7-1-2-8-24(23)20-34-26/h1-4,6-8,10,17,25-27,32,34H,5,9,11-16,18-21H2/b4-3+/t26-,27+/m1/s1 UOJYAHYPXYXUMQ-FITNPZAZSA-N 50270296 CHEMBL4094123 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.7b01420 10.7270/Q2KH0QTH 29350534 Miller, EJ; Jecs, E; Truax, VM; Katzman, BM; Tahirovic, YA; Wilson, RJ; Kuo, KM; Kim, MB; Nguyen, HH; Saindane, MT; Zhao, H; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270296 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270296&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 135313963 404961846 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50898681 C(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)CNCc1ccncc1 InChI=1S/C29H37N5/c1-2-8-26-21-33-27(19-25(26)7-1)22-34(28-11-5-9-24-10-6-15-32-29(24)28)18-4-3-14-31-20-23-12-16-30-17-13-23/h1-2,6-8,10,12-13,15-17,27-28,31,33H,3-5,9,11,14,18-22H2/t27-,28+/m1/s1 ALNLTEGQXKHFSE-IZLXSDGUSA-N 50270032 CHEMBL4092405 C-X-C chemokine receptor type 4 23 ChEMBL 10.1021/acs.jmedchem.7b01420 10.7270/Q2KH0QTH 29350534 Miller, EJ; Jecs, E; Truax, VM; Katzman, BM; Tahirovic, YA; Wilson, RJ; Kuo, KM; Kim, MB; Nguyen, HH; Saindane, MT; Zhao, H; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270032 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270032&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137652982 404961812 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50898682 CC(C)(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)CNC1CCC(F)(F)CC1 InChI=1S/C31H44F2N4/c1-30(2,22-36-26-12-14-31(32,33)15-13-26)16-18-37(28-11-5-9-23-10-6-17-34-29(23)28)21-27-19-24-7-3-4-8-25(24)20-35-27/h3-4,6-8,10,17,26-28,35-36H,5,9,11-16,18-22H2,1-2H3/t27-,28+/m1/s1 BCTNZAWHTKKRHH-IZLXSDGUSA-N 50270286 CHEMBL4094400 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.7b01420 10.7270/Q2KH0QTH 29350534 Miller, EJ; Jecs, E; Truax, VM; Katzman, BM; Tahirovic, YA; Wilson, RJ; Kuo, KM; Kim, MB; Nguyen, HH; Saindane, MT; Zhao, H; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270286 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270286&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137654290 404961836 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50898684 NCc1ccc(CN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc23)cc1 InChI=1S/C27H32N4/c28-16-20-10-12-21(13-11-20)18-31(26-9-3-7-22-8-4-14-29-27(22)26)19-25-15-23-5-1-2-6-24(23)17-30-25/h1-2,4-6,8,10-14,25-26,30H,3,7,9,15-19,28H2/t25-,26+/m1/s1 MCTNGARCDMPDNT-FTJBHMTQSA-N 50270048 CHEMBL4078260 C-X-C chemokine receptor type 4 115 ChEMBL 10.1021/acs.jmedchem.7b01420 10.7270/Q2KH0QTH 29350534 Miller, EJ; Jecs, E; Truax, VM; Katzman, BM; Tahirovic, YA; Wilson, RJ; Kuo, KM; Kim, MB; Nguyen, HH; Saindane, MT; Zhao, H; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270048 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270048&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 135314388 404961824 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50898685 NC\C=C/CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 InChI=1S/C23H30N4/c24-12-3-4-14-27(22-11-5-9-18-10-6-13-25-23(18)22)17-21-15-19-7-1-2-8-20(19)16-26-21/h1-4,6-8,10,13,21-22,26H,5,9,11-12,14-17,24H2/b4-3-/t21-,22+/m1/s1 VUXQRANDPGSPRS-QOZQEUDZSA-N 50270049 CHEMBL4096305 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.7b01420 10.7270/Q2KH0QTH 29350534 Miller, EJ; Jecs, E; Truax, VM; Katzman, BM; Tahirovic, YA; Wilson, RJ; Kuo, KM; Kim, MB; Nguyen, HH; Saindane, MT; Zhao, H; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270049 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270049&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137655938 404961825 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50898688 O=S1(=O)CCC(CC1)NCCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 InChI=1S/C28H40N4O2S/c33-35(34)17-12-25(13-18-35)29-14-3-4-16-32(27-11-5-9-22-10-6-15-30-28(22)27)21-26-19-23-7-1-2-8-24(23)20-31-26/h1-2,6-8,10,15,25-27,29,31H,3-5,9,11-14,16-21H2/t26-,27+/m1/s1 RLDXRZALYBNDPT-SXOMAYOGSA-N 50270045 CHEMBL4081436 C-X-C chemokine receptor type 4 46 ChEMBL 10.1021/acs.jmedchem.7b01420 10.7270/Q2KH0QTH 29350534 Miller, EJ; Jecs, E; Truax, VM; Katzman, BM; Tahirovic, YA; Wilson, RJ; Kuo, KM; Kim, MB; Nguyen, HH; Saindane, MT; Zhao, H; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270045 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270045&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137647645 404961821 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50898690 CC1(C)CCC(CC1)NCCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 InChI=1S/C31H46N4/c1-31(2)16-14-27(15-17-31)32-18-5-6-20-35(29-13-7-11-24-12-8-19-33-30(24)29)23-28-21-25-9-3-4-10-26(25)22-34-28/h3-4,8-10,12,19,27-29,32,34H,5-7,11,13-18,20-23H2,1-2H3/t28-,29+/m1/s1 ONNXLKVJJQMNHD-WDYNHAJCSA-N 50270046 CHEMBL4059462 C-X-C chemokine receptor type 4 78 ChEMBL 10.1021/acs.jmedchem.7b01420 10.7270/Q2KH0QTH 29350534 Miller, EJ; Jecs, E; Truax, VM; Katzman, BM; Tahirovic, YA; Wilson, RJ; Kuo, KM; Kim, MB; Nguyen, HH; Saindane, MT; Zhao, H; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270046 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270046&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137634464 404961822 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50898691 FC1(F)CCC(CNCCCCN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc23)CC1 InChI=1S/C30H42F2N4/c31-30(32)14-12-23(13-15-30)20-33-16-3-4-18-36(28-11-5-9-24-10-6-17-34-29(24)28)22-27-19-25-7-1-2-8-26(25)21-35-27/h1-2,6-8,10,17,23,27-28,33,35H,3-5,9,11-16,18-22H2/t27-,28+/m1/s1 AWKOHKZMMSJRFV-IZLXSDGUSA-N 50270034 CHEMBL4101106 C-X-C chemokine receptor type 4 168 ChEMBL 10.1021/acs.jmedchem.7b01420 10.7270/Q2KH0QTH 29350534 Miller, EJ; Jecs, E; Truax, VM; Katzman, BM; Tahirovic, YA; Wilson, RJ; Kuo, KM; Kim, MB; Nguyen, HH; Saindane, MT; Zhao, H; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270034 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270034&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137658901 404961814 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50898694 C(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)CNCC1CCNCC1 InChI=1S/C29H43N5/c1-2-8-26-21-33-27(19-25(26)7-1)22-34(28-11-5-9-24-10-6-15-32-29(24)28)18-4-3-14-31-20-23-12-16-30-17-13-23/h1-2,6-8,10,15,23,27-28,30-31,33H,3-5,9,11-14,16-22H2/t27-,28+/m1/s1 ATUPUATUNBUOBZ-IZLXSDGUSA-N 50270035 CHEMBL4076841 C-X-C chemokine receptor type 4 37 ChEMBL 10.1021/acs.jmedchem.7b01420 10.7270/Q2KH0QTH 29350534 Miller, EJ; Jecs, E; Truax, VM; Katzman, BM; Tahirovic, YA; Wilson, RJ; Kuo, KM; Kim, MB; Nguyen, HH; Saindane, MT; Zhao, H; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270035 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270035&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137651429 404961815 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50898695 C(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)CN(Cc1cccnc1)Cc1cccnc1 InChI=1S/C35H42N6/c1-2-12-32-24-39-33(21-31(32)11-1)27-41(34-15-5-13-30-14-8-18-38-35(30)34)20-4-3-19-40(25-28-9-6-16-36-22-28)26-29-10-7-17-37-23-29/h1-2,6-12,14,16-18,22-23,33-34,39H,3-5,13,15,19-21,24-27H2/t33-,34+/m1/s1 CFJSRSLPNHMHBB-NOCHOARKSA-N 50270026 CHEMBL4081338 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.7b01420 10.7270/Q2KH0QTH 29350534 Miller, EJ; Jecs, E; Truax, VM; Katzman, BM; Tahirovic, YA; Wilson, RJ; Kuo, KM; Kim, MB; Nguyen, HH; Saindane, MT; Zhao, H; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270026 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270026&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137647643 404961809 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50898696 C(NCc1ccccn1)c1ccc(CN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc23)cc1 InChI=1S/C33H37N5/c1-2-8-29-21-37-31(19-28(29)7-1)24-38(32-12-5-9-27-10-6-18-36-33(27)32)23-26-15-13-25(14-16-26)20-34-22-30-11-3-4-17-35-30/h1-4,6-8,10-11,13-18,31-32,34,37H,5,9,12,19-24H2/t31-,32+/m1/s1 SIMHCJVBDXBOGC-ZWXJPIIXSA-N 50270278 CHEMBL4072645 C-X-C chemokine receptor type 4 286 ChEMBL 10.1021/acs.jmedchem.7b01420 10.7270/Q2KH0QTH 29350534 Miller, EJ; Jecs, E; Truax, VM; Katzman, BM; Tahirovic, YA; Wilson, RJ; Kuo, KM; Kim, MB; Nguyen, HH; Saindane, MT; Zhao, H; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270278 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270278&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 135313715 404961832 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50898697 C(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)CN(Cc1ccccn1)Cc1ccccn1 InChI=1S/C35H42N6/c1-2-12-30-24-39-33(23-29(30)11-1)27-41(34-17-9-13-28-14-10-20-38-35(28)34)22-8-7-21-40(25-31-15-3-5-18-36-31)26-32-16-4-6-19-37-32/h1-6,10-12,14-16,18-20,33-34,39H,7-9,13,17,21-27H2/t33-,34+/m1/s1 FODFMARAGBOYGZ-NOCHOARKSA-N 50270025 CHEMBL4086739 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.7b01420 10.7270/Q2KH0QTH 29350534 Miller, EJ; Jecs, E; Truax, VM; Katzman, BM; Tahirovic, YA; Wilson, RJ; Kuo, KM; Kim, MB; Nguyen, HH; Saindane, MT; Zhao, H; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270025 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270025&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137644335 404961808 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50898698 NCCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 InChI=1S/C23H32N4/c24-12-3-4-14-27(22-11-5-9-18-10-6-13-25-23(18)22)17-21-15-19-7-1-2-8-20(19)16-26-21/h1-2,6-8,10,13,21-22,26H,3-5,9,11-12,14-17,24H2/t21-,22+/m1/s1 MYCKNKHATQGHEV-YADHBBJMSA-N 50443541 CHEMBL3091687 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.7b01420 10.7270/Q2KH0QTH 29350534 Miller, EJ; Jecs, E; Truax, VM; Katzman, BM; Tahirovic, YA; Wilson, RJ; Kuo, KM; Kim, MB; Nguyen, HH; Saindane, MT; Zhao, H; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50443541 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50443541&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 57345320 194941437 CHEMBL3091687 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50898346 C(NC1CCOCC1)\C=C\CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 InChI=1S/C28H38N4O/c1-2-8-24-20-31-26(19-23(24)7-1)21-32(16-4-3-14-29-25-12-17-33-18-13-25)27-11-5-9-22-10-6-15-30-28(22)27/h1-4,6-8,10,15,25-27,29,31H,5,9,11-14,16-21H2/b4-3+/t26-,27+/m1/s1 QPAGOTNPJABYCP-FITNPZAZSA-N 50270018 CHEMBL4075205 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.7b01420 10.7270/Q2KH0QTH 29350534 Miller, EJ; Jecs, E; Truax, VM; Katzman, BM; Tahirovic, YA; Wilson, RJ; Kuo, KM; Kim, MB; Nguyen, HH; Saindane, MT; Zhao, H; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270018 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270018&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 133081963 104115403 29067 ZINC03872582 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50898350 C(NCc1cccnc1)\C=C\CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 InChI=1S/C29H35N5/c1-2-10-26-21-33-27(18-25(26)9-1)22-34(28-13-5-11-24-12-7-16-32-29(24)28)17-4-3-14-30-19-23-8-6-15-31-20-23/h1-4,6-10,12,15-16,20,27-28,30,33H,5,11,13-14,17-19,21-22H2/b4-3+/t27-,28+/m1/s1 SKGLJORAKHJXMQ-FENCIZKFSA-N 50270297 CHEMBL4066459 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.7b01420 10.7270/Q2KH0QTH 29350534 Miller, EJ; Jecs, E; Truax, VM; Katzman, BM; Tahirovic, YA; Wilson, RJ; Kuo, KM; Kim, MB; Nguyen, HH; Saindane, MT; Zhao, H; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270297 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270297&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 135314252 404961847 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50898355 CC(C)(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)CNCC1CCOCC1 InChI=1S/C31H46N4O/c1-31(2,23-32-20-24-12-17-36-18-13-24)14-16-35(29-11-5-9-25-10-6-15-33-30(25)29)22-28-19-26-7-3-4-8-27(26)21-34-28/h3-4,6-8,10,15,24,28-29,32,34H,5,9,11-14,16-23H2,1-2H3/t28-,29+/m1/s1 HJXPGNYZSGLODV-WDYNHAJCSA-N 50270023 CHEMBL4073818 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.7b01420 10.7270/Q2KH0QTH 29350534 Miller, EJ; Jecs, E; Truax, VM; Katzman, BM; Tahirovic, YA; Wilson, RJ; Kuo, KM; Kim, MB; Nguyen, HH; Saindane, MT; Zhao, H; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270023 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270023&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137640446 404961806 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50898362 CC(C)(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)CNC1CCOCC1 InChI=1S/C30H44N4O/c1-30(2,22-33-26-12-17-35-18-13-26)14-16-34(28-11-5-9-23-10-6-15-31-29(23)28)21-27-19-24-7-3-4-8-25(24)20-32-27/h3-4,6-8,10,15,26-28,32-33H,5,9,11-14,16-22H2,1-2H3/t27-,28+/m1/s1 BMSOROVJUNRKSM-IZLXSDGUSA-N 50270019 CHEMBL4065224 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.7b01420 10.7270/Q2KH0QTH 29350534 Miller, EJ; Jecs, E; Truax, VM; Katzman, BM; Tahirovic, YA; Wilson, RJ; Kuo, KM; Kim, MB; Nguyen, HH; Saindane, MT; Zhao, H; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270019 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270019&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137633531 104115404 52836 ZINC29056295 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50898392 CC(C)(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)CNC1CCC(C)(C)CC1 InChI=1S/C33H50N4/c1-32(2)16-14-28(15-17-32)36-24-33(3,4)18-20-37(30-13-7-11-25-12-8-19-34-31(25)30)23-29-21-26-9-5-6-10-27(26)22-35-29/h5-6,8-10,12,19,28-30,35-36H,7,11,13-18,20-24H2,1-4H3/t29-,30+/m1/s1 JSBXUFQJCIWBMY-IHLOFXLRSA-N 50270024 CHEMBL4086662 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.7b01420 10.7270/Q2KH0QTH 29350534 Miller, EJ; Jecs, E; Truax, VM; Katzman, BM; Tahirovic, YA; Wilson, RJ; Kuo, KM; Kim, MB; Nguyen, HH; Saindane, MT; Zhao, H; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270024 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270024&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137644813 404961807 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50898468 C(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)CNCc1ccccn1 InChI=1S/C29H37N5/c1-2-10-25-20-33-27(19-24(25)9-1)22-34(28-14-7-11-23-12-8-17-32-29(23)28)18-6-5-15-30-21-26-13-3-4-16-31-26/h1-4,8-10,12-13,16-17,27-28,30,33H,5-7,11,14-15,18-22H2/t27-,28+/m1/s1 DBUIDMKLHBXFJG-IZLXSDGUSA-N 50443545 CHEMBL3091683 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.7b01420 10.7270/Q2KH0QTH 29350534 Miller, EJ; Jecs, E; Truax, VM; Katzman, BM; Tahirovic, YA; Wilson, RJ; Kuo, KM; Kim, MB; Nguyen, HH; Saindane, MT; Zhao, H; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50443545 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50443545&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 76324529 194941441 CHEMBL3091683 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50898470 C(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)CNCc1ccncc1 InChI=1S/C29H37N5/c1-2-8-26-21-33-27(19-25(26)7-1)22-34(28-11-5-9-24-10-6-15-32-29(24)28)18-4-3-14-31-20-23-12-16-30-17-13-23/h1-2,6-8,10,12-13,15-17,27-28,31,33H,3-5,9,11,14,18-22H2/t27-,28+/m1/s1 ALNLTEGQXKHFSE-IZLXSDGUSA-N 50270032 CHEMBL4092405 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.7b01420 10.7270/Q2KH0QTH 29350534 Miller, EJ; Jecs, E; Truax, VM; Katzman, BM; Tahirovic, YA; Wilson, RJ; Kuo, KM; Kim, MB; Nguyen, HH; Saindane, MT; Zhao, H; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270032 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270032&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137652982 404961812 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50898472 FC1(F)CCC(CNCCCCN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc23)CC1 InChI=1S/C30H42F2N4/c31-30(32)14-12-23(13-15-30)20-33-16-3-4-18-36(28-11-5-9-24-10-6-17-34-29(24)28)22-27-19-25-7-1-2-8-26(25)21-35-27/h1-2,6-8,10,17,23,27-28,33,35H,3-5,9,11-16,18-22H2/t27-,28+/m1/s1 AWKOHKZMMSJRFV-IZLXSDGUSA-N 50270034 CHEMBL4101106 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.7b01420 10.7270/Q2KH0QTH 29350534 Miller, EJ; Jecs, E; Truax, VM; Katzman, BM; Tahirovic, YA; Wilson, RJ; Kuo, KM; Kim, MB; Nguyen, HH; Saindane, MT; Zhao, H; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270034 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270034&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137658901 404961814 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50898473 C(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)CNCC1CCOCC1 InChI=1S/C29H42N4O/c1-2-8-26-21-32-27(19-25(26)7-1)22-33(28-11-5-9-24-10-6-15-31-29(24)28)16-4-3-14-30-20-23-12-17-34-18-13-23/h1-2,6-8,10,15,23,27-28,30,32H,3-5,9,11-14,16-22H2/t27-,28+/m1/s1 UWRHBQJVXGUUAS-IZLXSDGUSA-N 50270289 CHEMBL4074366 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.7b01420 10.7270/Q2KH0QTH 29350534 Miller, EJ; Jecs, E; Truax, VM; Katzman, BM; Tahirovic, YA; Wilson, RJ; Kuo, KM; Kim, MB; Nguyen, HH; Saindane, MT; Zhao, H; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270289 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270289&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137640474 404961839 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50898474 C(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)CNCC1CCNCC1 InChI=1S/C29H43N5/c1-2-8-26-21-33-27(19-25(26)7-1)22-34(28-11-5-9-24-10-6-15-32-29(24)28)18-4-3-14-31-20-23-12-16-30-17-13-23/h1-2,6-8,10,15,23,27-28,30-31,33H,3-5,9,11-14,16-22H2/t27-,28+/m1/s1 ATUPUATUNBUOBZ-IZLXSDGUSA-N 50270035 CHEMBL4076841 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.7b01420 10.7270/Q2KH0QTH 29350534 Miller, EJ; Jecs, E; Truax, VM; Katzman, BM; Tahirovic, YA; Wilson, RJ; Kuo, KM; Kim, MB; Nguyen, HH; Saindane, MT; Zhao, H; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270035 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270035&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137651429 404961815 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50898475 O=S1(=O)CCC(CNCCCCN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc23)CC1 InChI=1S/C29H42N4O2S/c34-36(35)17-12-23(13-18-36)20-30-14-3-4-16-33(28-11-5-9-24-10-6-15-31-29(24)28)22-27-19-25-7-1-2-8-26(25)21-32-27/h1-2,6-8,10,15,23,27-28,30,32H,3-5,9,11-14,16-22H2/t27-,28+/m1/s1 DCUHJYNCNGXTKN-IZLXSDGUSA-N 50270037 CHEMBL4070843 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.7b01420 10.7270/Q2KH0QTH 29350534 Miller, EJ; Jecs, E; Truax, VM; Katzman, BM; Tahirovic, YA; Wilson, RJ; Kuo, KM; Kim, MB; Nguyen, HH; Saindane, MT; Zhao, H; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270037 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270037&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137639251 404961817 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50898477 C(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)CNC1CCOCC1 InChI=1S/C28H40N4O/c1-2-8-24-20-31-26(19-23(24)7-1)21-32(16-4-3-14-29-25-12-17-33-18-13-25)27-11-5-9-22-10-6-15-30-28(22)27/h1-2,6-8,10,15,25-27,29,31H,3-5,9,11-14,16-21H2/t26-,27+/m1/s1 RKAMQPGAELEERO-SXOMAYOGSA-N 50270043 CHEMBL4090235 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.7b01420 10.7270/Q2KH0QTH 29350534 Miller, EJ; Jecs, E; Truax, VM; Katzman, BM; Tahirovic, YA; Wilson, RJ; Kuo, KM; Kim, MB; Nguyen, HH; Saindane, MT; Zhao, H; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270043 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270043&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137643317 404961819 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50898479 C(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)CNC1CCSCC1 InChI=1S/C28H40N4S/c1-2-8-24-20-31-26(19-23(24)7-1)21-32(16-4-3-14-29-25-12-17-33-18-13-25)27-11-5-9-22-10-6-15-30-28(22)27/h1-2,6-8,10,15,25-27,29,31H,3-5,9,11-14,16-21H2/t26-,27+/m1/s1 ISYILQOWKQBKJP-SXOMAYOGSA-N 50270291 CHEMBL4068122 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.7b01420 10.7270/Q2KH0QTH 29350534 Miller, EJ; Jecs, E; Truax, VM; Katzman, BM; Tahirovic, YA; Wilson, RJ; Kuo, KM; Kim, MB; Nguyen, HH; Saindane, MT; Zhao, H; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270291 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270291&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137633431 404961841 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50898480 CC1(C)CCC(CC1)NCCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 InChI=1S/C31H46N4/c1-31(2)16-14-27(15-17-31)32-18-5-6-20-35(29-13-7-11-24-12-8-19-33-30(24)29)23-28-21-25-9-3-4-10-26(25)22-34-28/h3-4,8-10,12,19,27-29,32,34H,5-7,11,13-18,20-23H2,1-2H3/t28-,29+/m1/s1 ONNXLKVJJQMNHD-WDYNHAJCSA-N 50270046 CHEMBL4059462 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.7b01420 10.7270/Q2KH0QTH 29350534 Miller, EJ; Jecs, E; Truax, VM; Katzman, BM; Tahirovic, YA; Wilson, RJ; Kuo, KM; Kim, MB; Nguyen, HH; Saindane, MT; Zhao, H; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270046 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270046&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137634464 404961822 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50898481 NCc1ccccc1CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 InChI=1S/C27H32N4/c28-16-22-8-2-4-10-24(22)18-31(26-13-5-11-20-12-6-14-29-27(20)26)19-25-15-21-7-1-3-9-23(21)17-30-25/h1-4,6-10,12,14,25-26,30H,5,11,13,15-19,28H2/t25-,26+/m1/s1 WDRULORDXYZPQS-FTJBHMTQSA-N 50270292 CHEMBL4084920 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.7b01420 10.7270/Q2KH0QTH 29350534 Miller, EJ; Jecs, E; Truax, VM; Katzman, BM; Tahirovic, YA; Wilson, RJ; Kuo, KM; Kim, MB; Nguyen, HH; Saindane, MT; Zhao, H; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270292 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270292&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137647336 404961842 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50898482 NCc1ccc(CN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc23)cc1 InChI=1S/C27H32N4/c28-16-20-10-12-21(13-11-20)18-31(26-9-3-7-22-8-4-14-29-27(22)26)19-25-15-23-5-1-2-6-24(23)17-30-25/h1-2,4-6,8,10-14,25-26,30H,3,7,9,15-19,28H2/t25-,26+/m1/s1 MCTNGARCDMPDNT-FTJBHMTQSA-N 50270048 CHEMBL4078260 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.7b01420 10.7270/Q2KH0QTH 29350534 Miller, EJ; Jecs, E; Truax, VM; Katzman, BM; Tahirovic, YA; Wilson, RJ; Kuo, KM; Kim, MB; Nguyen, HH; Saindane, MT; Zhao, H; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270048 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270048&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 135314388 404961824 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50898484 NC\C=C\CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 InChI=1S/C23H30N4/c24-12-3-4-14-27(22-11-5-9-18-10-6-13-25-23(18)22)17-21-15-19-7-1-2-8-20(19)16-26-21/h1-4,6-8,10,13,21-22,26H,5,9,11-12,14-17,24H2/b4-3+/t21-,22+/m1/s1 VUXQRANDPGSPRS-DTDVHRGSSA-N 50270293 CHEMBL4086147 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.7b01420 10.7270/Q2KH0QTH 29350534 Miller, EJ; Jecs, E; Truax, VM; Katzman, BM; Tahirovic, YA; Wilson, RJ; Kuo, KM; Kim, MB; Nguyen, HH; Saindane, MT; Zhao, H; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270293 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270293&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137641749 404961843 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50898487 CC(C)(N)CCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 InChI=1S/C25H36N4/c1-25(2,26)13-7-15-29(23-12-5-10-19-11-6-14-27-24(19)23)18-22-16-20-8-3-4-9-21(20)17-28-22/h3-4,6,8-9,11,14,22-23,28H,5,7,10,12-13,15-18,26H2,1-2H3/t22-,23+/m1/s1 OWWQLCCEAAGOJW-PKTZIBPZSA-N 50270052 CHEMBL4080718 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.7b01420 10.7270/Q2KH0QTH 29350534 Miller, EJ; Jecs, E; Truax, VM; Katzman, BM; Tahirovic, YA; Wilson, RJ; Kuo, KM; Kim, MB; Nguyen, HH; Saindane, MT; Zhao, H; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270052 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270052&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137647838 404961828 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50898488 FC1(F)CCC(CC1)NCc1ccc(CN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc23)cc1 InChI=1S/C33H40F2N4/c34-33(35)16-14-29(15-17-33)37-20-24-10-12-25(13-11-24)22-39(31-9-3-7-26-8-4-18-36-32(26)31)23-30-19-27-5-1-2-6-28(27)21-38-30/h1-2,4-6,8,10-13,18,29-31,37-38H,3,7,9,14-17,19-23H2/t30-,31+/m1/s1 VXFZOKLPMVMVEZ-JSOSNVBQSA-N 50270053 CHEMBL4088588 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.7b01420 10.7270/Q2KH0QTH 29350534 Miller, EJ; Jecs, E; Truax, VM; Katzman, BM; Tahirovic, YA; Wilson, RJ; Kuo, KM; Kim, MB; Nguyen, HH; Saindane, MT; Zhao, H; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270053 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270053&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 135313899 404961829 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50898489 C(NC1CCOCC1)c1ccc(CN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc23)cc1 InChI=1S/C32H40N4O/c1-2-6-28-21-35-30(19-27(28)5-1)23-36(31-9-3-7-26-8-4-16-33-32(26)31)22-25-12-10-24(11-13-25)20-34-29-14-17-37-18-15-29/h1-2,4-6,8,10-13,16,29-31,34-35H,3,7,9,14-15,17-23H2/t30-,31+/m1/s1 REMRQQHCGVYVPH-JSOSNVBQSA-N 50270110 CHEMBL4089531 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.7b01420 10.7270/Q2KH0QTH 29350534 Miller, EJ; Jecs, E; Truax, VM; Katzman, BM; Tahirovic, YA; Wilson, RJ; Kuo, KM; Kim, MB; Nguyen, HH; Saindane, MT; Zhao, H; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270110 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270110&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 135314337 404961830 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50898491 CC1(C)CCC(CC1)NCc1ccc(CN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc23)cc1 InChI=1S/C35H46N4/c1-35(2)18-16-31(17-19-35)37-22-26-12-14-27(15-13-26)24-39(33-11-5-9-28-10-6-20-36-34(28)33)25-32-21-29-7-3-4-8-30(29)23-38-32/h3-4,6-8,10,12-15,20,31-33,37-38H,5,9,11,16-19,21-25H2,1-2H3/t32-,33+/m1/s1 LBNCYBAXRNMAKW-SAIUNTKASA-N 50270111 CHEMBL4061381 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.7b01420 10.7270/Q2KH0QTH 29350534 Miller, EJ; Jecs, E; Truax, VM; Katzman, BM; Tahirovic, YA; Wilson, RJ; Kuo, KM; Kim, MB; Nguyen, HH; Saindane, MT; Zhao, H; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270111 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270111&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 135313618 404961831 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50898492 C(NCc1cccnc1)c1ccc(CN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc23)cc1 InChI=1S/C33H37N5/c1-2-8-30-22-37-31(18-29(30)7-1)24-38(32-11-3-9-28-10-5-17-36-33(28)32)23-26-14-12-25(13-15-26)19-35-21-27-6-4-16-34-20-27/h1-2,4-8,10,12-17,20,31-32,35,37H,3,9,11,18-19,21-24H2/t31-,32+/m1/s1 LMTVSDLVMVDXEP-ZWXJPIIXSA-N 50270295 CHEMBL4099550 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.7b01420 10.7270/Q2KH0QTH 29350534 Miller, EJ; Jecs, E; Truax, VM; Katzman, BM; Tahirovic, YA; Wilson, RJ; Kuo, KM; Kim, MB; Nguyen, HH; Saindane, MT; Zhao, H; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270295 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270295&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 135313574 404961845 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50898494 C(NCC1CCOCC1)\C=C\CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 InChI=1S/C29H40N4O/c1-2-8-26-21-32-27(19-25(26)7-1)22-33(28-11-5-9-24-10-6-15-31-29(24)28)16-4-3-14-30-20-23-12-17-34-18-13-23/h1-4,6-8,10,15,23,27-28,30,32H,5,9,11-14,16-22H2/b4-3+/t27-,28+/m1/s1 NPGGQYKPWKEPMR-FENCIZKFSA-N 50270016 CHEMBL4070320 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.7b01420 10.7270/Q2KH0QTH 29350534 Miller, EJ; Jecs, E; Truax, VM; Katzman, BM; Tahirovic, YA; Wilson, RJ; Kuo, KM; Kim, MB; Nguyen, HH; Saindane, MT; Zhao, H; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270016 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270016&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 135314141 104115401 ZINC44307531 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50898496 C(NCc1ccccn1)c1ccc(CN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc23)cc1 InChI=1S/C33H37N5/c1-2-8-29-21-37-31(19-28(29)7-1)24-38(32-12-5-9-27-10-6-18-36-33(27)32)23-26-15-13-25(14-16-26)20-34-22-30-11-3-4-17-35-30/h1-4,6-8,10-11,13-18,31-32,34,37H,5,9,12,19-24H2/t31-,32+/m1/s1 SIMHCJVBDXBOGC-ZWXJPIIXSA-N 50270278 CHEMBL4072645 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.7b01420 10.7270/Q2KH0QTH 29350534 Miller, EJ; Jecs, E; Truax, VM; Katzman, BM; Tahirovic, YA; Wilson, RJ; Kuo, KM; Kim, MB; Nguyen, HH; Saindane, MT; Zhao, H; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270278 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270278&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 135313715 404961832 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50897882 NCCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 InChI=1S/C23H32N4/c24-12-3-4-14-27(22-11-5-9-18-10-6-13-25-23(18)22)17-21-15-19-7-1-2-8-20(19)16-26-21/h1-2,6-8,10,13,21-22,26H,3-5,9,11-12,14-17,24H2/t21-,22+/m1/s1 MYCKNKHATQGHEV-YADHBBJMSA-N 50443541 CHEMBL3091687 C-X-C chemokine receptor type 4 6.3 ChEMBL 10.1021/acs.jmedchem.7b01420 10.7270/Q2KH0QTH 29350534 Miller, EJ; Jecs, E; Truax, VM; Katzman, BM; Tahirovic, YA; Wilson, RJ; Kuo, KM; Kim, MB; Nguyen, HH; Saindane, MT; Zhao, H; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50443541 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50443541&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 57345320 194941437 CHEMBL3091687 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50897889 C(NCc1ccc(CN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc23)cc1)c1ccncc1 InChI=1S/C33H37N5/c1-2-6-30-22-37-31(19-29(30)5-1)24-38(32-9-3-7-28-8-4-16-36-33(28)32)23-27-12-10-25(11-13-27)20-35-21-26-14-17-34-18-15-26/h1-2,4-6,8,10-18,31-32,35,37H,3,7,9,19-24H2/t31-,32+/m1/s1 ZVAPDTKXMZXVSP-ZWXJPIIXSA-N 50270279 CHEMBL4083122 C-X-C chemokine receptor type 4 134 ChEMBL 10.1021/acs.jmedchem.7b01420 10.7270/Q2KH0QTH 29350534 Miller, EJ; Jecs, E; Truax, VM; Katzman, BM; Tahirovic, YA; Wilson, RJ; Kuo, KM; Kim, MB; Nguyen, HH; Saindane, MT; Zhao, H; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270279 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270279&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 135314386 404961833 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50897972 CC1(C)CCC(CC1)NC\C=C\CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 InChI=1S/C31H44N4/c1-31(2)16-14-27(15-17-31)32-18-5-6-20-35(29-13-7-11-24-12-8-19-33-30(24)29)23-28-21-25-9-3-4-10-26(25)22-34-28/h3-6,8-10,12,19,27-29,32,34H,7,11,13-18,20-23H2,1-2H3/b6-5+/t28-,29+/m1/s1 DZNHRLXBJDORJM-HWPOCXGGSA-N 50270280 CHEMBL4098635 C-X-C chemokine receptor type 4 65 ChEMBL 10.1021/acs.jmedchem.7b01420 10.7270/Q2KH0QTH 29350534 Miller, EJ; Jecs, E; Truax, VM; Katzman, BM; Tahirovic, YA; Wilson, RJ; Kuo, KM; Kim, MB; Nguyen, HH; Saindane, MT; Zhao, H; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270280 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270280&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 135314329 404961834 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50897979 C(NCc1ccccn1)\C=C\CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 InChI=1S/C29H35N5/c1-2-10-25-20-33-27(19-24(25)9-1)22-34(28-14-7-11-23-12-8-17-32-29(23)28)18-6-5-15-30-21-26-13-3-4-16-31-26/h1-6,8-10,12-13,16-17,27-28,30,33H,7,11,14-15,18-22H2/b6-5+/t27-,28+/m1/s1 KKUZNBPYLQBJGJ-HGYCFVDHSA-N 50270281 CHEMBL4081958 C-X-C chemokine receptor type 4 58 ChEMBL 10.1021/acs.jmedchem.7b01420 10.7270/Q2KH0QTH 29350534 Miller, EJ; Jecs, E; Truax, VM; Katzman, BM; Tahirovic, YA; Wilson, RJ; Kuo, KM; Kim, MB; Nguyen, HH; Saindane, MT; Zhao, H; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270281 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270281&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 135314251 404961835 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50897981 C(NCc1ccncc1)\C=C\CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 InChI=1S/C29H35N5/c1-2-8-26-21-33-27(19-25(26)7-1)22-34(28-11-5-9-24-10-6-15-32-29(24)28)18-4-3-14-31-20-23-12-16-30-17-13-23/h1-4,6-8,10,12-13,15-17,27-28,31,33H,5,9,11,14,18-22H2/b4-3+/t27-,28+/m1/s1 HSCURGZCDKRUEI-FENCIZKFSA-N 50270020 CHEMBL4090772 C-X-C chemokine receptor type 4 41 ChEMBL 10.1021/acs.jmedchem.7b01420 10.7270/Q2KH0QTH 29350534 Miller, EJ; Jecs, E; Truax, VM; Katzman, BM; Tahirovic, YA; Wilson, RJ; Kuo, KM; Kim, MB; Nguyen, HH; Saindane, MT; Zhao, H; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270020 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270020&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 135314390 104115405 37954 ZINC03860193 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50897983 CC(C)(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)CNC1CCC(F)(F)CC1 InChI=1S/C31H44F2N4/c1-30(2,22-36-26-12-14-31(32,33)15-13-26)16-18-37(28-11-5-9-23-10-6-17-34-29(23)28)21-27-19-24-7-3-4-8-25(24)20-35-27/h3-4,6-8,10,17,26-28,35-36H,5,9,11-16,18-22H2,1-2H3/t27-,28+/m1/s1 BCTNZAWHTKKRHH-IZLXSDGUSA-N 50270286 CHEMBL4094400 C-X-C chemokine receptor type 4 168 ChEMBL 10.1021/acs.jmedchem.7b01420 10.7270/Q2KH0QTH 29350534 Miller, EJ; Jecs, E; Truax, VM; Katzman, BM; Tahirovic, YA; Wilson, RJ; Kuo, KM; Kim, MB; Nguyen, HH; Saindane, MT; Zhao, H; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270286 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270286&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137654290 404961836 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50897986 C(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)CN(Cc1ccccn1)Cc1ccccn1 InChI=1S/C35H42N6/c1-2-12-30-24-39-33(23-29(30)11-1)27-41(34-17-9-13-28-14-10-20-38-35(28)34)22-8-7-21-40(25-31-15-3-5-18-36-31)26-32-16-4-6-19-37-32/h1-6,10-12,14-16,18-20,33-34,39H,7-9,13,17,21-27H2/t33-,34+/m1/s1 FODFMARAGBOYGZ-NOCHOARKSA-N 50270025 CHEMBL4086739 C-X-C chemokine receptor type 4 664 ChEMBL 10.1021/acs.jmedchem.7b01420 10.7270/Q2KH0QTH 29350534 Miller, EJ; Jecs, E; Truax, VM; Katzman, BM; Tahirovic, YA; Wilson, RJ; Kuo, KM; Kim, MB; Nguyen, HH; Saindane, MT; Zhao, H; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270025 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270025&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137644335 404961808 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50897987 C(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)CN(Cc1ccncc1)Cc1ccncc1 InChI=1S/C35H42N6/c1-2-8-32-24-39-33(23-31(32)7-1)27-41(34-11-5-9-30-10-6-16-38-35(30)34)22-4-3-21-40(25-28-12-17-36-18-13-28)26-29-14-19-37-20-15-29/h1-2,6-8,10,12-20,33-34,39H,3-5,9,11,21-27H2/t33-,34+/m1/s1 ZEEABZKRGAFENX-NOCHOARKSA-N 50270027 CHEMBL4105591 C-X-C chemokine receptor type 4 832 ChEMBL 10.1021/acs.jmedchem.7b01420 10.7270/Q2KH0QTH 29350534 Miller, EJ; Jecs, E; Truax, VM; Katzman, BM; Tahirovic, YA; Wilson, RJ; Kuo, KM; Kim, MB; Nguyen, HH; Saindane, MT; Zhao, H; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270027 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270027&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137657547 404961810 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50897988 C(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)CN(Cc1ccccc1)Cc1ccccc1 InChI=1S/C37H44N4/c1-3-13-30(14-4-1)27-40(28-31-15-5-2-6-16-31)23-9-10-24-41(36-21-11-19-32-20-12-22-38-37(32)36)29-35-25-33-17-7-8-18-34(33)26-39-35/h1-8,12-18,20,22,35-36,39H,9-11,19,21,23-29H2/t35-,36+/m1/s1 PCNVYDZQYJVYOG-XDSPJLLDSA-N 50270287 CHEMBL4082134 C-X-C chemokine receptor type 4 >16700 ChEMBL 10.1021/acs.jmedchem.7b01420 10.7270/Q2KH0QTH 29350534 Miller, EJ; Jecs, E; Truax, VM; Katzman, BM; Tahirovic, YA; Wilson, RJ; Kuo, KM; Kim, MB; Nguyen, HH; Saindane, MT; Zhao, H; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270287 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270287&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137647184 404961837 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50897989 C(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)CNCc1cccnc1 InChI=1S/C29H37N5/c1-2-10-26-21-33-27(18-25(26)9-1)22-34(28-13-5-11-24-12-7-16-32-29(24)28)17-4-3-14-30-19-23-8-6-15-31-20-23/h1-2,6-10,12,15-16,20,27-28,30,33H,3-5,11,13-14,17-19,21-22H2/t27-,28+/m1/s1 ZWRNWGSOEVSTSJ-IZLXSDGUSA-N 50270028 CHEMBL4071612 C-X-C chemokine receptor type 4 15 ChEMBL 10.1021/acs.jmedchem.7b01420 10.7270/Q2KH0QTH 29350534 Miller, EJ; Jecs, E; Truax, VM; Katzman, BM; Tahirovic, YA; Wilson, RJ; Kuo, KM; Kim, MB; Nguyen, HH; Saindane, MT; Zhao, H; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270028 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270028&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137638242 404961811 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50897991 C(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)CNCc1ccccc1 InChI=1S/C30H38N4/c1-2-10-24(11-3-1)21-31-17-6-7-19-34(29-16-8-14-25-15-9-18-32-30(25)29)23-28-20-26-12-4-5-13-27(26)22-33-28/h1-5,9-13,15,18,28-29,31,33H,6-8,14,16-17,19-23H2/t28-,29+/m1/s1 MWUZFFWTKOGEKF-WDYNHAJCSA-N 50270288 CHEMBL4062981 C-X-C chemokine receptor type 4 20 ChEMBL 10.1021/acs.jmedchem.7b01420 10.7270/Q2KH0QTH 29350534 Miller, EJ; Jecs, E; Truax, VM; Katzman, BM; Tahirovic, YA; Wilson, RJ; Kuo, KM; Kim, MB; Nguyen, HH; Saindane, MT; Zhao, H; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270288 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270288&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137637838 404961838 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50897997 C(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)CNC1CCCCC1 InChI=1S/C29H42N4/c1-2-14-26(15-3-1)30-17-6-7-19-33(28-16-8-12-23-13-9-18-31-29(23)28)22-27-20-24-10-4-5-11-25(24)21-32-27/h4-5,9-11,13,18,26-28,30,32H,1-3,6-8,12,14-17,19-22H2/t27-,28+/m1/s1 AEOPBRLVLXDVLL-IZLXSDGUSA-N 50270290 CHEMBL4097946 C-X-C chemokine receptor type 4 75 ChEMBL 10.1021/acs.jmedchem.7b01420 10.7270/Q2KH0QTH 29350534 Miller, EJ; Jecs, E; Truax, VM; Katzman, BM; Tahirovic, YA; Wilson, RJ; Kuo, KM; Kim, MB; Nguyen, HH; Saindane, MT; Zhao, H; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270290 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270290&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137662026 404961840 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50897999 C(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)CNC1CCNCC1 InChI=1S/C28H41N5/c1-2-8-24-20-32-26(19-23(24)7-1)21-33(18-4-3-14-30-25-12-16-29-17-13-25)27-11-5-9-22-10-6-15-31-28(22)27/h1-2,6-8,10,15,25-27,29-30,32H,3-5,9,11-14,16-21H2/t26-,27+/m1/s1 BLOHFKPUNFANKF-SXOMAYOGSA-N 50270044 CHEMBL4089307 C-X-C chemokine receptor type 4 63 ChEMBL 10.1021/acs.jmedchem.7b01420 10.7270/Q2KH0QTH 29350534 Miller, EJ; Jecs, E; Truax, VM; Katzman, BM; Tahirovic, YA; Wilson, RJ; Kuo, KM; Kim, MB; Nguyen, HH; Saindane, MT; Zhao, H; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270044 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270044&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137641652 404961820 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50898003 NCc1cccc(CN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc23)c1 InChI=1S/C27H32N4/c28-16-20-6-3-7-21(14-20)18-31(26-12-4-10-22-11-5-13-29-27(22)26)19-25-15-23-8-1-2-9-24(23)17-30-25/h1-3,5-9,11,13-14,25-26,30H,4,10,12,15-19,28H2/t25-,26+/m1/s1 MUQGXMRSNYTSLA-FTJBHMTQSA-N 50270047 CHEMBL4075694 C-X-C chemokine receptor type 4 292 ChEMBL 10.1021/acs.jmedchem.7b01420 10.7270/Q2KH0QTH 29350534 Miller, EJ; Jecs, E; Truax, VM; Katzman, BM; Tahirovic, YA; Wilson, RJ; Kuo, KM; Kim, MB; Nguyen, HH; Saindane, MT; Zhao, H; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270047 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270047&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 135313773 404961823 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50898004 NC\C=C/CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 InChI=1S/C23H30N4/c24-12-3-4-14-27(22-11-5-9-18-10-6-13-25-23(18)22)17-21-15-19-7-1-2-8-20(19)16-26-21/h1-4,6-8,10,13,21-22,26H,5,9,11-12,14-17,24H2/b4-3-/t21-,22+/m1/s1 VUXQRANDPGSPRS-QOZQEUDZSA-N 50270049 CHEMBL4096305 C-X-C chemokine receptor type 4 9.3 ChEMBL 10.1021/acs.jmedchem.7b01420 10.7270/Q2KH0QTH 29350534 Miller, EJ; Jecs, E; Truax, VM; Katzman, BM; Tahirovic, YA; Wilson, RJ; Kuo, KM; Kim, MB; Nguyen, HH; Saindane, MT; Zhao, H; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270049 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270049&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137655938 404961825 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50898006 CC(C)(CN)CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 InChI=1S/C25H36N4/c1-25(2,18-26)12-14-29(23-11-5-9-19-10-6-13-27-24(19)23)17-22-15-20-7-3-4-8-21(20)16-28-22/h3-4,6-8,10,13,22-23,28H,5,9,11-12,14-18,26H2,1-2H3/t22-,23+/m1/s1 YPWOVOYHSYFRRC-PKTZIBPZSA-N 50270051 CHEMBL4104948 C-X-C chemokine receptor type 4 69 ChEMBL 10.1021/acs.jmedchem.7b01420 10.7270/Q2KH0QTH 29350534 Miller, EJ; Jecs, E; Truax, VM; Katzman, BM; Tahirovic, YA; Wilson, RJ; Kuo, KM; Kim, MB; Nguyen, HH; Saindane, MT; Zhao, H; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270051 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270051&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137657247 404961827 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50898008 C(NCc1ccc(CN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc23)cc1)C1CCOCC1 InChI=1S/C33H42N4O/c1-2-6-30-22-36-31(19-29(30)5-1)24-37(32-9-3-7-28-8-4-16-35-33(28)32)23-27-12-10-25(11-13-27)20-34-21-26-14-17-38-18-15-26/h1-2,4-6,8,10-13,16,26,31-32,34,36H,3,7,9,14-15,17-24H2/t31-,32+/m1/s1 SGYSZCMQJNBMFO-ZWXJPIIXSA-N 50270294 CHEMBL4059622 C-X-C chemokine receptor type 4 183 ChEMBL 10.1021/acs.jmedchem.7b01420 10.7270/Q2KH0QTH 29350534 Miller, EJ; Jecs, E; Truax, VM; Katzman, BM; Tahirovic, YA; Wilson, RJ; Kuo, KM; Kim, MB; Nguyen, HH; Saindane, MT; Zhao, H; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270294 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270294&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 135314469 404961844 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50877213 CN1[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N2CCC[C@H]2C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C1=O InChI=1S/C40H53N11O6/c1-50-32(10-5-19-46-40(43)44)35(54)49-31(23-25-12-15-26-7-2-3-8-27(26)21-25)38(57)51-20-6-11-33(51)36(55)48-30(22-24-13-16-28(52)17-14-24)34(53)47-29(37(50)56)9-4-18-45-39(41)42/h2-3,7-8,12-17,21,29-33,52H,4-6,9-11,18-20,22-23H2,1H3,(H,47,53)(H,48,55)(H,49,54)(H4,41,42,45)(H4,43,44,46)/t29-,30+,31-,32-,33-/m0/s1 LTTCRTAQQFHLPF-WUXKFAKNSA-N 50092206 CHEMBL3581276 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.8b00336 10.7270/Q23B62M5 29608300 Sekiguchi, H; Kuroyanagi, T; Rhainds, D; Kobayashi, K; Kobayashi, Y; Ohno, H; Heveker, N; Akaji, K; Fujii, N; Oishi, S Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50092206 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50092206&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 122178723 103990396 CHEMBL3581276 ZINC13813328 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50877214 CN1[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N2CCC[C@H]2C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=O)C1=O InChI=1S/C40H52N10O7/c1-49-32(10-5-18-44-39(41)42)35(53)48-31(23-25-12-15-26-7-2-3-8-27(26)21-25)38(56)50-20-6-11-33(50)36(54)47-30(22-24-13-16-28(51)17-14-24)34(52)46-29(37(49)55)9-4-19-45-40(43)57/h2-3,7-8,12-17,21,29-33,51H,4-6,9-11,18-20,22-23H2,1H3,(H,46,52)(H,47,54)(H,48,53)(H4,41,42,44)(H3,43,45,57)/t29-,30+,31-,32-,33-/m0/s1 WKHVQSRBBNSFIQ-WUXKFAKNSA-N 50263943 CHEMBL4069488 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.8b00336 10.7270/Q23B62M5 29608300 Sekiguchi, H; Kuroyanagi, T; Rhainds, D; Kobayashi, K; Kobayashi, Y; Ohno, H; Heveker, N; Akaji, K; Fujii, N; Oishi, S Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50263943 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50263943&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137632194 404341682 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50980780 CSc1nnc(o1)-c1ccc(nc1C)C(F)(F)F InChI=1S/C10H8F3N3OS/c1-5-6(8-15-16-9(17-8)18-2)3-4-7(14-5)10(11,12)13/h3-4H,1-2H3 AOFNOJJLNOMAHQ-UHFFFAOYSA-N 50277324 CHEMBL1381819 C-X-C chemokine receptor type 4 3800 ChEMBL 10.1016/j.ejmech.2017.08.027 10.7270/Q21J9D9V 28826086 Grande, F; Giancotti, G; Ioele, G; Occhiuzzi, MA; Garofalo, A University of Calabria http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50277324 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50277324&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 2795811 406792972 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50980782 C[C@H]1NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC1=O InChI=1S/C30H43N11O5/c1-17-25(43)39-21(8-4-12-35-29(31)32)27(45)40-22(9-5-13-36-30(33)34)28(46)41-23(26(44)37-16-24(42)38-17)15-18-10-11-19-6-2-3-7-20(19)14-18/h2-3,6-7,10-11,14,17,21-23H,4-5,8-9,12-13,15-16H2,1H3,(H,37,44)(H,38,42)(H,39,43)(H,40,45)(H,41,46)(H4,31,32,35)(H4,33,34,36)/t17-,21+,22+,23+/m1/s1 LKKSXQJVPNKJEO-SZOBAZRNSA-N 50277325 CHEMBL4159140 C-X-C chemokine receptor type 4 51000 ChEMBL 10.1016/j.ejmech.2017.08.027 10.7270/Q21J9D9V 28826086 Grande, F; Giancotti, G; Ioele, G; Occhiuzzi, MA; Garofalo, A University of Calabria http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50277325 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50277325&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 11505556 406792973 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50980785 CN(Cc1ccccc1)S(=O)(=O)c1ccc(CN2CCCCC2)cc1 InChI=1S/C20H26N2O2S/c1-21(16-18-8-4-2-5-9-18)25(23,24)20-12-10-19(11-13-20)17-22-14-6-3-7-15-22/h2,4-5,8-13H,3,6-7,14-17H2,1H3 CHPBHMSZQMSCEO-UHFFFAOYSA-N 50277326 CHEMBL4170138 C-X-C chemokine receptor type 4 8.9 ChEMBL 10.1016/j.ejmech.2017.08.027 10.7270/Q21J9D9V 28826086 Grande, F; Giancotti, G; Ioele, G; Occhiuzzi, MA; Garofalo, A University of Calabria http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50277326 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50277326&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 51031036 406792974 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50980786 Brc1ccc2n(ccc2c1)-c1ccccc1C(=O)NNc1cnccn1 InChI=1S/C19H14BrN5O/c20-14-5-6-16-13(11-14)7-10-25(16)17-4-2-1-3-15(17)19(26)24-23-18-12-21-8-9-22-18/h1-12H,(H,22,23)(H,24,26) TUROPERFRCORAP-UHFFFAOYSA-N 50277327 CHEMBL4162534 C-X-C chemokine receptor type 4 11 ChEMBL 10.1016/j.ejmech.2017.08.027 10.7270/Q21J9D9V 28826086 Grande, F; Giancotti, G; Ioele, G; Occhiuzzi, MA; Garofalo, A University of Calabria http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50277327 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50277327&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 145958234 406792975 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50980814 CSc1nnc(o1)-c1ccc(CNC(=O)Nc2ccc(cc2)[N+]([O-])=O)nc1 InChI=1S/C16H14N6O4S/c1-27-16-21-20-14(26-16)10-2-3-12(17-8-10)9-18-15(23)19-11-4-6-13(7-5-11)22(24)25/h2-8H,9H2,1H3,(H2,18,19,23) AIKYUAODXYNFRF-UHFFFAOYSA-N 50277328 CHEMBL4168547 C-X-C chemokine receptor type 4 120 ChEMBL 10.1016/j.ejmech.2017.08.027 10.7270/Q21J9D9V 28826086 Grande, F; Giancotti, G; Ioele, G; Occhiuzzi, MA; Garofalo, A University of Calabria http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50277328 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50277328&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 145953887 406792976 C02125 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50980815 NC(=N)NCCC[C@@H]1NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O InChI=1S/C29H41N11O5/c30-28(31)34-11-3-7-20-26(44)39-21(8-4-12-35-29(32)33)27(45)40-22(25(43)37-15-23(41)36-16-24(42)38-20)14-17-9-10-18-5-1-2-6-19(18)13-17/h1-2,5-6,9-10,13,20-22H,3-4,7-8,11-12,14-16H2,(H,36,41)(H,37,43)(H,38,42)(H,39,44)(H,40,45)(H4,30,31,34)(H4,32,33,35)/t20-,21-,22-/m0/s1 GVRZJNMDSFJPIR-FKBYEOEOSA-N 50277334 CHEMBL4170463 C-X-C chemokine receptor type 4 5100 ChEMBL 10.1016/j.ejmech.2017.08.027 10.7270/Q21J9D9V 28826086 Grande, F; Giancotti, G; Ioele, G; Occhiuzzi, MA; Garofalo, A University of Calabria http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50277334 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50277334&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 72737615 406792977 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50980823 NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](CCc2ccccc2)NC1=O InChI=1S/C33H47N11O6/c34-32(35)38-16-4-8-23-30(49)44-25(15-12-20-6-2-1-3-7-20)28(47)40-19-27(46)41-26(18-21-10-13-22(45)14-11-21)31(50)43-24(29(48)42-23)9-5-17-39-33(36)37/h1-3,6-7,10-11,13-14,23-26,45H,4-5,8-9,12,15-19H2,(H,40,47)(H,41,46)(H,42,48)(H,43,50)(H,44,49)(H4,34,35,38)(H4,36,37,39)/t23-,24-,25-,26+/m0/s1 RFOCIOUVFVGPGL-ASDGIDEWSA-N 50277335 CHEMBL4172495 C-X-C chemokine receptor type 4 31000 ChEMBL 10.1016/j.ejmech.2017.08.027 10.7270/Q21J9D9V 28826086 Grande, F; Giancotti, G; Ioele, G; Occhiuzzi, MA; Garofalo, A University of Calabria http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50277335 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50277335&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 72736896 406792978 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50980827 C(N1CCCNCCNCCCNCC1)c1ccc(CN2CCCNCCNCCCNCC2)cc1 InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2 YIQPUIGJQJDJOS-UHFFFAOYSA-N 50035696 1,1''-{1,4-phenylenebis(methylene)}-bis{1,4,8,11-tetraaza-cyclotetradecane}::1,4,8,11-tetraazacyclotetradecanyl[4-(1,4,8,11-tetraazacyclotetradecanylmethyl)phenyl]methane::1,4,8,11-tetraazacyclotetradecanyl[4-(1,4,8,11-tetraazacyclotetradecanylmethyl)phenyl]methane(8HBr.2H2O)::1,4-bis((1,4,8,11-tetraazacyclotetradecan-1-yl)methyl)benzene::11''-xylyl bis-1,4,8,11-tetraazacyclotetradecane::11-{4-[4,8, 11-1,4,8,11tetraaza-cyclotetradec-1-ylmethyl]-benzyl}-1,4,8,11tetraaza-cyclotetradecane-1,4,8-tricarboxylic acid tri-tert-butyl ester::AMD-3100::CHEMBL18442::CHEMBL2311089::PLERIXAFOR::PLERIXAFOR OCTAHYDROCHLORIDE::US9205085, MSX-162 C-X-C chemokine receptor type 4 44 ChEMBL 10.1016/j.ejmech.2017.08.027 10.7270/Q21J9D9V 28826086 Grande, F; Giancotti, G; Ioele, G; Occhiuzzi, MA; Garofalo, A University of Calabria http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50035696 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50035696&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 65015 103943663 CHEMBL2311089CHEMBL18442 DB06809 844 ZINC22443609 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50980830 CSc1nnc(o1)-c1ccc(CNC(=O)c2ccccc2)nc1 InChI=1S/C16H14N4O2S/c1-23-16-20-19-15(22-16)12-7-8-13(17-9-12)10-18-14(21)11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,18,21) LPLATFYEDDYNED-UHFFFAOYSA-N 50277336 CHEMBL4165124 C-X-C chemokine receptor type 4 1000 ChEMBL 10.1016/j.ejmech.2017.08.027 10.7270/Q21J9D9V 28826086 Grande, F; Giancotti, G; Ioele, G; Occhiuzzi, MA; Garofalo, A University of Calabria http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50277336 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50277336&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 145961199 406792979 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50980831 CSc1nnc(o1)-c1ccc(COC(=O)Nc2ccc(cc2)[N+]([O-])=O)nc1 InChI=1S/C16H13N5O5S/c1-27-16-20-19-14(26-16)10-2-3-12(17-8-10)9-25-15(22)18-11-4-6-13(7-5-11)21(23)24/h2-8H,9H2,1H3,(H,18,22) DMRIPGRCEWQQKS-UHFFFAOYSA-N 50277337 CHEMBL4173028 C-X-C chemokine receptor type 4 190 ChEMBL 10.1016/j.ejmech.2017.08.027 10.7270/Q21J9D9V 28826086 Grande, F; Giancotti, G; Ioele, G; Occhiuzzi, MA; Garofalo, A University of Calabria http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50277337 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50277337&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 145951410 406792980 C02125 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50980835 OC(=O)C(F)(F)F.CSc1nnc(o1)-c1ccc(CN)nc1C InChI=1S/C10H12N4OS/c1-6-8(4-3-7(5-11)12-6)9-13-14-10(15-9)16-2/h3-4H,5,11H2,1-2H3 DQJNLEXSXSIANI-UHFFFAOYSA-N 50277338 CHEMBL4176412 C-X-C chemokine receptor type 4 190 ChEMBL 10.1016/j.ejmech.2017.08.027 10.7270/Q21J9D9V 28826086 Grande, F; Giancotti, G; Ioele, G; Occhiuzzi, MA; Garofalo, A University of Calabria http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50277338 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50277338&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 145974553 406792981 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50980837 Oc1cccc(CN(CCN2CCCCC2)CC2CCCN(C2)C2CCCC2)c1 InChI=1S/C20H25N3O2S/c21-17(13-7-2-1-3-8-13)20(25)23-12-6-10-15(23)18(24)19-22-14-9-4-5-11-16(14)26-19/h4-5,9,11,13,15,17H,1-3,6-8,10,12,21H2/t15-,17+/m0/s1 BOGRGBJASHXDLV-DOTOQJQBSA-N 50155311 CHEMBL3781301 C-X-C chemokine receptor type 4 92 ChEMBL 10.1016/j.ejmech.2017.08.027 10.7270/Q21J9D9V 28826086 Grande, F; Giancotti, G; Ioele, G; Occhiuzzi, MA; Garofalo, A University of Calabria http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50155311 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50155311&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 45182189 104042754 CHEMBL3781301 ZINC28372547 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50980841 CN(Cc1ccccc1)S(=O)(=O)c1ccc(CN2CCCC2)cc1 InChI=1S/C19H24N2O2S/c1-20(15-17-7-3-2-4-8-17)24(22,23)19-11-9-18(10-12-19)16-21-13-5-6-14-21/h2-4,7-12H,5-6,13-16H2,1H3 HOXZSLITAPMTLB-UHFFFAOYSA-N 50277344 CHEMBL4162225 C-X-C chemokine receptor type 4 8.0 ChEMBL 10.1016/j.ejmech.2017.08.027 10.7270/Q21J9D9V 28826086 Grande, F; Giancotti, G; Ioele, G; Occhiuzzi, MA; Garofalo, A University of Calabria http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50277344 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50277344&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 59826001 406792982 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50981419 C(Nc1ccccn1)c1ccc(CNc2ccccn2)cc1 InChI=1S/C18H18N4/c1-3-11-19-17(5-1)21-13-15-7-9-16(10-8-15)14-22-18-6-2-4-12-20-18/h1-12H,13-14H2,(H,19,21)(H,20,22) KBVFRXIGQQRMEF-UHFFFAOYSA-N 50225415 CHEMBL237830::N,N'-di-2-pyridinyl-1,4-benzenedimethanamine::US9205085, MSX- 121::WZ-811 C-X-C chemokine receptor type 4 0.300000 ChEMBL 10.1016/j.ejmech.2017.08.027 10.7270/Q21J9D9V 28826086 Grande, F; Giancotti, G; Ioele, G; Occhiuzzi, MA; Garofalo, A University of Calabria http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50225415 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50225415&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 11565518 104096721 CHEMBL237830 ZINC28863086 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50981434 NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2cccc3ccccc23)NC1=O InChI=1S/C36H47N11O6/c37-35(38)41-16-4-10-26-32(51)45-27(11-5-17-42-36(39)40)33(52)47-29(19-23-8-3-7-22-6-1-2-9-25(22)23)31(50)43-20-30(49)44-28(34(53)46-26)18-21-12-14-24(48)15-13-21/h1-3,6-9,12-15,26-29,48H,4-5,10-11,16-20H2,(H,43,50)(H,44,49)(H,45,51)(H,46,53)(H,47,52)(H4,37,38,41)(H4,39,40,42)/t26-,27-,28+,29-/m0/s1 VYEQPNIQDYJPPP-FKWFRFQNSA-N 50277345 CHEMBL4173917 C-X-C chemokine receptor type 4 5600 ChEMBL 10.1016/j.ejmech.2017.08.027 10.7270/Q21J9D9V 28826086 Grande, F; Giancotti, G; Ioele, G; Occhiuzzi, MA; Garofalo, A University of Calabria http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50277345 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50277345&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 72737063 406792983 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50981449 NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](C\C=C\c2ccccc2)NC1=O InChI=1S/C34H47N11O6/c35-33(36)39-17-5-11-25-30(49)43-24(10-4-9-21-7-2-1-3-8-21)29(48)41-20-28(47)42-27(19-22-13-15-23(46)16-14-22)32(51)45-26(31(50)44-25)12-6-18-40-34(37)38/h1-4,7-9,13-16,24-27,46H,5-6,10-12,17-20H2,(H,41,48)(H,42,47)(H,43,49)(H,44,50)(H,45,51)(H4,35,36,39)(H4,37,38,40)/b9-4+/t24-,25-,26-,27+/m0/s1 OENXAXAWMAUKOD-MCEIUCKFSA-N 50277346 CHEMBL4163529 C-X-C chemokine receptor type 4 19000 ChEMBL 10.1016/j.ejmech.2017.08.027 10.7270/Q21J9D9V 28826086 Grande, F; Giancotti, G; Ioele, G; Occhiuzzi, MA; Garofalo, A University of Calabria http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50277346 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50277346&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 72736900 406792984 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50982165 NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](CCC2CCCCC2)NC1=O InChI=1S/C33H53N11O6/c34-32(35)38-16-4-8-23-30(49)44-25(15-12-20-6-2-1-3-7-20)28(47)40-19-27(46)41-26(18-21-10-13-22(45)14-11-21)31(50)43-24(29(48)42-23)9-5-17-39-33(36)37/h10-11,13-14,20,23-26,45H,1-9,12,15-19H2,(H,40,47)(H,41,46)(H,42,48)(H,43,50)(H,44,49)(H4,34,35,38)(H4,36,37,39)/t23-,24-,25-,26+/m0/s1 PGFMQWQPHIDRMC-ASDGIDEWSA-N 50277347 CHEMBL4159875 C-X-C chemokine receptor type 4 29000 ChEMBL 10.1016/j.ejmech.2017.08.027 10.7270/Q21J9D9V 28826086 Grande, F; Giancotti, G; Ioele, G; Occhiuzzi, MA; Garofalo, A University of Calabria http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50277347 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50277347&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 72736898 406792985 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50982166 NCCCCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc12 InChI=1S/C21H27N5/c22-12-3-4-14-26(15-20-24-17-9-1-2-10-18(17)25-20)19-11-5-7-16-8-6-13-23-21(16)19/h1-2,6,8-10,13,19H,3-5,7,11-12,14-15,22H2,(H,24,25) WVLHHLRVNDMIAR-UHFFFAOYSA-N 50277348 CHEMBL1088913 C-X-C chemokine receptor type 4 13 ChEMBL 10.1016/j.ejmech.2017.08.027 10.7270/Q21J9D9V 28826086 Grande, F; Giancotti, G; Ioele, G; Occhiuzzi, MA; Garofalo, A University of Calabria http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50277348 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50277348&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 10126019 406792986 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50982168 NCCCC[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)c1ccc(F)cc1 InChI=1S/C97H145FN34O18S2/c98-60-33-31-58(32-34-60)78(136)120-65(19-8-42-114-93(104)105)79(137)122-68(22-11-45-117-96(110)111)83(141)127-73(51-56-25-30-57-14-1-2-15-59(57)48-56)87(145)131-75-53-152-151-52-74(88(146)119-63(77(101)135)18-7-41-113-92(102)103)130-84(142)69(23-12-46-118-97(112)150)123-81(139)67(21-10-44-116-95(108)109)125-86(144)72(50-55-28-37-62(134)38-29-55)129-90(148)76-24-13-47-132(76)91(149)70(17-4-6-40-100)126-82(140)64(16-3-5-39-99)121-80(138)66(20-9-43-115-94(106)107)124-85(143)71(128-89(75)147)49-54-26-35-61(133)36-27-54/h1-2,14-15,25-38,48,63-76,133-134H,3-13,16-24,39-47,49-53,99-100H2,(H2,101,135)(H,119,146)(H,120,136)(H,121,138)(H,122,137)(H,123,139)(H,124,143)(H,125,144)(H,126,140)(H,127,141)(H,128,147)(H,129,148)(H,130,142)(H,131,145)(H4,102,103,113)(H4,104,105,114)(H4,106,107,115)(H4,108,109,116)(H4,110,111,117)(H3,112,118,150)/t63-,64-,65-,66-,67-,68-,69-,70+,71-,72-,73-,74-,75-,76-/m0/s1 GRMYXZAQEZTSGZ-KZGZZEQFSA-N 50277349 CHEMBL4163246 C-X-C chemokine receptor type 4 1.000000 ChEMBL 10.1016/j.ejmech.2017.08.027 10.7270/Q21J9D9V 28826086 Grande, F; Giancotti, G; Ioele, G; Occhiuzzi, MA; Garofalo, A University of Calabria http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50277349 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50277349&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 127044948 406792987 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50982170 NC(=N)NCCC[C@@H]1NC(=O)[C@H]2Cc3ccccc3CN2C(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O InChI=1S/C37H47N11O5/c38-36(39)42-15-5-11-27-34(52)47-29(18-22-13-14-23-7-1-2-8-24(23)17-22)32(50)44-20-31(49)48-21-26-10-4-3-9-25(26)19-30(48)35(53)46-28(33(51)45-27)12-6-16-43-37(40)41/h1-4,7-10,13-14,17,27-30H,5-6,11-12,15-16,18-21H2,(H,44,50)(H,45,51)(H,46,53)(H,47,52)(H4,38,39,42)(H4,40,41,43)/t27-,28-,29-,30+/m0/s1 VZMUOPATSIPHNP-GCXHJFECSA-N 50277350 CHEMBL4167050 C-X-C chemokine receptor type 4 25000 ChEMBL 10.1016/j.ejmech.2017.08.027 10.7270/Q21J9D9V 28826086 Grande, F; Giancotti, G; Ioele, G; Occhiuzzi, MA; Garofalo, A University of Calabria http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50277350 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50277350&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 72737246 406792988 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51096524 Cc1cc(Br)ccc1CNC(=O)c1nn(c(c1Cn1cncn1)-c1ccc(Br)cc1)-c1ccccc1Cl InChI=1S/C27H21Br2ClN6O/c1-17-12-21(29)11-8-19(17)13-32-27(37)25-22(14-35-16-31-15-33-35)26(18-6-9-20(28)10-7-18)36(34-25)24-5-3-2-4-23(24)30/h2-12,15-16H,13-14H2,1H3,(H,32,37) PZYIAIVLQMGYOR-UHFFFAOYSA-N 50310000 4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-bromophenyl)-N-(1-(4-bromophenyl)ethyl)-1-(2-chlorophenyl)-1H-pyrazole-3-carboxamide::CHEMBL598769 C-X-C chemokine receptor type 4 161 ChEMBL 10.1021/acsmedchemlett.8b00030 10.7270/Q2Z89FZD 29795757 Tahirovic, YA; Truax, VM; Wilson, RJ; Jecs, E; Nguyen, HH; Miller, EJ; Kim, MB; Kuo, KM; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50310000 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50310000&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 46230816 104164361 CHEMBL598769 ZINC49766409 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51096299 C(CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)C1CCNCC1 InChI=1S/C22H22N4O/c1-26-13-5-8-18(26)15-27-22-20(11-9-16-6-3-2-4-7-16)24-21-14-17(23)10-12-19(21)25-22/h2-4,6-7,10,12,14,18H,5,8,13,15,23H2,1H3/t18-/m0/s1 AIPRBOBDHFUMQO-SFHVURJKSA-N 50327365 CHEMBL4164702 C-X-C chemokine receptor type 4 150 ChEMBL 10.1021/acsmedchemlett.8b00030 10.7270/Q2Z89FZD 29795757 Tahirovic, YA; Truax, VM; Wilson, RJ; Jecs, E; Nguyen, HH; Miller, EJ; Kim, MB; Kuo, KM; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50327365 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50327365&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 145959814 123106480 ZINC64540941 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51096300 C(CN(Cc1ncccn1)[C@H]1CCCc2cccnc12)CN1CCNCC1 InChI=1S/C24H25N3O/c1-18-10-12-21-23(17-18)25-22(13-11-19-7-4-3-5-8-19)24(26-21)28-16-14-20-9-6-15-27(20)2/h3-5,7-8,10,12,17,20H,6,9,14-16H2,1-2H3 AMTQJBJFUHRKKU-UHFFFAOYSA-N 50327364 CHEMBL4162125 C-X-C chemokine receptor type 4 4316 ChEMBL 10.1021/acsmedchemlett.8b00030 10.7270/Q2Z89FZD 29795757 Tahirovic, YA; Truax, VM; Wilson, RJ; Jecs, E; Nguyen, HH; Miller, EJ; Kim, MB; Kuo, KM; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50327364 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50327364&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 135313705 123106479 ZINC64548346 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51096882 Cc1cc(Br)ccc1CNC(=O)c1nn(c(c1Cn1cncn1)-c1ccc(Br)cc1)-c1ccccc1Cl InChI=1S/C27H21Br2ClN6O/c1-17-12-21(29)11-8-19(17)13-32-27(37)25-22(14-35-16-31-15-33-35)26(18-6-9-20(28)10-7-18)36(34-25)24-5-3-2-4-23(24)30/h2-12,15-16H,13-14H2,1H3,(H,32,37) PZYIAIVLQMGYOR-UHFFFAOYSA-N 50310000 4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-bromophenyl)-N-(1-(4-bromophenyl)ethyl)-1-(2-chlorophenyl)-1H-pyrazole-3-carboxamide::CHEMBL598769 C-X-C chemokine receptor type 4 161 ChEMBL 10.1021/acsmedchemlett.8b00030 10.7270/Q2Z89FZD 29795757 Tahirovic, YA; Truax, VM; Wilson, RJ; Jecs, E; Nguyen, HH; Miller, EJ; Kim, MB; Kuo, KM; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50310000 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50310000&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 46230816 104164361 CHEMBL598769 ZINC49766409 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51096884 Cc1cc(Br)ccc1CNC(=O)c1nn(c(c1Cn1cncn1)-c1ccc(Br)cc1)-c1ccccc1Cl InChI=1S/C27H21Br2ClN6O/c1-17-12-21(29)11-8-19(17)13-32-27(37)25-22(14-35-16-31-15-33-35)26(18-6-9-20(28)10-7-18)36(34-25)24-5-3-2-4-23(24)30/h2-12,15-16H,13-14H2,1H3,(H,32,37) PZYIAIVLQMGYOR-UHFFFAOYSA-N 50310000 4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-bromophenyl)-N-(1-(4-bromophenyl)ethyl)-1-(2-chlorophenyl)-1H-pyrazole-3-carboxamide::CHEMBL598769 C-X-C chemokine receptor type 4 125 ChEMBL 10.1021/acsmedchemlett.8b00030 10.7270/Q2Z89FZD 29795757 Tahirovic, YA; Truax, VM; Wilson, RJ; Jecs, E; Nguyen, HH; Miller, EJ; Kim, MB; Kuo, KM; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50310000 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50310000&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 46230816 104164361 CHEMBL598769 ZINC49766409 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51096323 NCCCCN(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc12 InChI=1S/C21H27N5/c22-12-3-4-14-26(15-20-24-17-9-1-2-10-18(17)25-20)19-11-5-7-16-8-6-13-23-21(16)19/h1-2,6,8-10,13,19H,3-5,7,11-12,14-15,22H2,(H,24,25)/t19-/m0/s1 WVLHHLRVNDMIAR-IBGZPJMESA-N 50315305 (S)-N-((1H-benzo[d]imidazol-2-yl)methyl)-N-(4-aminobutyl)-5,6,7,8-tetrahydroquinolin-8-amine::(S)-N1-((1H-benzo[d]imidazol-2-yl)methyl)-N1-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine::CHEMBL518924 C-X-C chemokine receptor type 4 5 ChEMBL 10.1021/acsmedchemlett.8b00030 10.7270/Q2Z89FZD 29795757 Tahirovic, YA; Truax, VM; Wilson, RJ; Jecs, E; Nguyen, HH; Miller, EJ; Kim, MB; Kuo, KM; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315305 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315305&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 11256587 104149666 CHEMBL518924 ZINC33359232 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51096906 Cc1cc(Br)ccc1CNC(=O)c1nn(c(c1Cn1cncn1)-c1ccc(Br)cc1)-c1ccccc1Cl InChI=1S/C27H21Br2ClN6O/c1-17-12-21(29)11-8-19(17)13-32-27(37)25-22(14-35-16-31-15-33-35)26(18-6-9-20(28)10-7-18)36(34-25)24-5-3-2-4-23(24)30/h2-12,15-16H,13-14H2,1H3,(H,32,37) PZYIAIVLQMGYOR-UHFFFAOYSA-N 50310000 4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-bromophenyl)-N-(1-(4-bromophenyl)ethyl)-1-(2-chlorophenyl)-1H-pyrazole-3-carboxamide::CHEMBL598769 C-X-C chemokine receptor type 4 33 ChEMBL 10.1021/acsmedchemlett.8b00030 10.7270/Q2Z89FZD 29795757 Tahirovic, YA; Truax, VM; Wilson, RJ; Jecs, E; Nguyen, HH; Miller, EJ; Kim, MB; Kuo, KM; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50310000 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50310000&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 46230816 104164361 CHEMBL598769 ZINC49766409 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51096907 Cc1cc(Br)ccc1CNC(=O)c1nn(c(c1Cn1cncn1)-c1ccc(Br)cc1)-c1ccccc1Cl InChI=1S/C27H21Br2ClN6O/c1-17-12-21(29)11-8-19(17)13-32-27(37)25-22(14-35-16-31-15-33-35)26(18-6-9-20(28)10-7-18)36(34-25)24-5-3-2-4-23(24)30/h2-12,15-16H,13-14H2,1H3,(H,32,37) PZYIAIVLQMGYOR-UHFFFAOYSA-N 50310000 4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-bromophenyl)-N-(1-(4-bromophenyl)ethyl)-1-(2-chlorophenyl)-1H-pyrazole-3-carboxamide::CHEMBL598769 C-X-C chemokine receptor type 4 17 ChEMBL 10.1021/acsmedchemlett.8b00030 10.7270/Q2Z89FZD 29795757 Tahirovic, YA; Truax, VM; Wilson, RJ; Jecs, E; Nguyen, HH; Miller, EJ; Kim, MB; Kuo, KM; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50310000 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50310000&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 46230816 104164361 CHEMBL598769 ZINC49766409 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51096909 Cc1cc(Br)ccc1CNC(=O)c1nn(c(c1Cn1cncn1)-c1ccc(Br)cc1)-c1ccccc1Cl InChI=1S/C27H21Br2ClN6O/c1-17-12-21(29)11-8-19(17)13-32-27(37)25-22(14-35-16-31-15-33-35)26(18-6-9-20(28)10-7-18)36(34-25)24-5-3-2-4-23(24)30/h2-12,15-16H,13-14H2,1H3,(H,32,37) PZYIAIVLQMGYOR-UHFFFAOYSA-N 50310000 4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-bromophenyl)-N-(1-(4-bromophenyl)ethyl)-1-(2-chlorophenyl)-1H-pyrazole-3-carboxamide::CHEMBL598769 C-X-C chemokine receptor type 4 50 ChEMBL 10.1021/acsmedchemlett.8b00030 10.7270/Q2Z89FZD 29795757 Tahirovic, YA; Truax, VM; Wilson, RJ; Jecs, E; Nguyen, HH; Miller, EJ; Kim, MB; Kuo, KM; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50310000 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50310000&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 46230816 104164361 CHEMBL598769 ZINC49766409 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51096910 Cc1cc(Br)ccc1CNC(=O)c1nn(c(c1Cn1cncn1)-c1ccc(Br)cc1)-c1ccccc1Cl InChI=1S/C27H21Br2ClN6O/c1-17-12-21(29)11-8-19(17)13-32-27(37)25-22(14-35-16-31-15-33-35)26(18-6-9-20(28)10-7-18)36(34-25)24-5-3-2-4-23(24)30/h2-12,15-16H,13-14H2,1H3,(H,32,37) PZYIAIVLQMGYOR-UHFFFAOYSA-N 50310000 4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-bromophenyl)-N-(1-(4-bromophenyl)ethyl)-1-(2-chlorophenyl)-1H-pyrazole-3-carboxamide::CHEMBL598769 C-X-C chemokine receptor type 4 45 ChEMBL 10.1021/acsmedchemlett.8b00030 10.7270/Q2Z89FZD 29795757 Tahirovic, YA; Truax, VM; Wilson, RJ; Jecs, E; Nguyen, HH; Miller, EJ; Kim, MB; Kuo, KM; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50310000 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50310000&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 46230816 104164361 CHEMBL598769 ZINC49766409 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51096348 NCCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 InChI=1S/C23H32N4/c24-12-3-4-14-27(22-11-5-9-18-10-6-13-25-23(18)22)17-21-15-19-7-1-2-8-20(19)16-26-21/h1-2,6-8,10,13,21-22,26H,3-5,9,11-12,14-17,24H2/t21-,22+/m1/s1 MYCKNKHATQGHEV-YADHBBJMSA-N 50443541 CHEMBL3091687 C-X-C chemokine receptor type 4 6 ChEMBL 10.1021/acsmedchemlett.8b00030 10.7270/Q2Z89FZD 29795757 Tahirovic, YA; Truax, VM; Wilson, RJ; Jecs, E; Nguyen, HH; Miller, EJ; Kim, MB; Kuo, KM; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50443541 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50443541&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 57345320 194941437 CHEMBL3091687 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51096350 C(CN(Cc1nc2ccccc2s1)[C@H]1CCCc2cccnc12)CN1CCNCC1 InChI=1S/C23H23N3O2/c1-27-21-11-7-10-19-22(21)24-20(13-12-18-8-3-2-4-9-18)23(25-19)28-17-16-26-14-5-6-15-26/h2-4,7-11H,5-6,14-17H2,1H3 BZWWADKIEYHUBA-UHFFFAOYSA-N 50327367 CHEMBL4172234 C-X-C chemokine receptor type 4 1199 ChEMBL 10.1021/acsmedchemlett.8b00030 10.7270/Q2Z89FZD 29795757 Tahirovic, YA; Truax, VM; Wilson, RJ; Jecs, E; Nguyen, HH; Miller, EJ; Kim, MB; Kuo, KM; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50327367 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50327367&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 135313965 123106482 ZINC64539691 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51096354 C(CCN1CCNCC1)CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 InChI=1S/C23H24FN3O3/c1-27(2)12-13-29-14-15-30-23-21(10-6-17-4-8-19(28-3)9-5-17)25-22-16-18(24)7-11-20(22)26-23/h4-5,7-9,11,16H,12-15H2,1-3H3 CPKBLTODOYMYKW-UHFFFAOYSA-N 50327366 CHEMBL4159150 C-X-C chemokine receptor type 4 66 ChEMBL 10.1021/acsmedchemlett.8b00030 10.7270/Q2Z89FZD 29795757 Tahirovic, YA; Truax, VM; Wilson, RJ; Jecs, E; Nguyen, HH; Miller, EJ; Kim, MB; Kuo, KM; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50327366 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50327366&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 145958093 123106481 ZINC64540943 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51096918 Cc1cc(Br)ccc1CNC(=O)c1nn(c(c1Cn1cncn1)-c1ccc(Br)cc1)-c1ccccc1Cl InChI=1S/C27H21Br2ClN6O/c1-17-12-21(29)11-8-19(17)13-32-27(37)25-22(14-35-16-31-15-33-35)26(18-6-9-20(28)10-7-18)36(34-25)24-5-3-2-4-23(24)30/h2-12,15-16H,13-14H2,1H3,(H,32,37) PZYIAIVLQMGYOR-UHFFFAOYSA-N 50310000 4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-bromophenyl)-N-(1-(4-bromophenyl)ethyl)-1-(2-chlorophenyl)-1H-pyrazole-3-carboxamide::CHEMBL598769 C-X-C chemokine receptor type 4 1154 ChEMBL 10.1021/acsmedchemlett.8b00030 10.7270/Q2Z89FZD 29795757 Tahirovic, YA; Truax, VM; Wilson, RJ; Jecs, E; Nguyen, HH; Miller, EJ; Kim, MB; Kuo, KM; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50310000 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50310000&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 46230816 104164361 CHEMBL598769 ZINC49766409 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51096358 C(CN(C[C@@H]1Cc2ncccc2CN1)[C@H]1CCCc2cccnc12)CN1CCNCC1 InChI=1S/C26H29FN4O/c1-30(2)22-11-7-20(8-12-22)9-13-24-26(29-23-14-10-21(27)19-25(23)28-24)32-18-6-17-31-15-4-3-5-16-31/h7-8,10-12,14,19H,3-6,15-18H2,1-2H3 JDAUTRPDZLXABY-UHFFFAOYSA-N 50327368 CHEMBL4167467 C-X-C chemokine receptor type 4 2639 ChEMBL 10.1021/acsmedchemlett.8b00030 10.7270/Q2Z89FZD 29795757 Tahirovic, YA; Truax, VM; Wilson, RJ; Jecs, E; Nguyen, HH; Miller, EJ; Kim, MB; Kuo, KM; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50327368 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50327368&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 145955694 123106483 ZINC64548321 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51096919 Cc1cc(Br)ccc1CNC(=O)c1nn(c(c1Cn1cncn1)-c1ccc(Br)cc1)-c1ccccc1Cl InChI=1S/C27H21Br2ClN6O/c1-17-12-21(29)11-8-19(17)13-32-27(37)25-22(14-35-16-31-15-33-35)26(18-6-9-20(28)10-7-18)36(34-25)24-5-3-2-4-23(24)30/h2-12,15-16H,13-14H2,1H3,(H,32,37) PZYIAIVLQMGYOR-UHFFFAOYSA-N 50310000 4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-bromophenyl)-N-(1-(4-bromophenyl)ethyl)-1-(2-chlorophenyl)-1H-pyrazole-3-carboxamide::CHEMBL598769 C-X-C chemokine receptor type 4 16 ChEMBL 10.1021/acsmedchemlett.8b00030 10.7270/Q2Z89FZD 29795757 Tahirovic, YA; Truax, VM; Wilson, RJ; Jecs, E; Nguyen, HH; Miller, EJ; Kim, MB; Kuo, KM; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50310000 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50310000&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 46230816 104164361 CHEMBL598769 ZINC49766409 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51096922 Cc1cc(Br)ccc1CNC(=O)c1nn(c(c1Cn1cncn1)-c1ccc(Br)cc1)-c1ccccc1Cl InChI=1S/C27H21Br2ClN6O/c1-17-12-21(29)11-8-19(17)13-32-27(37)25-22(14-35-16-31-15-33-35)26(18-6-9-20(28)10-7-18)36(34-25)24-5-3-2-4-23(24)30/h2-12,15-16H,13-14H2,1H3,(H,32,37) PZYIAIVLQMGYOR-UHFFFAOYSA-N 50310000 4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-bromophenyl)-N-(1-(4-bromophenyl)ethyl)-1-(2-chlorophenyl)-1H-pyrazole-3-carboxamide::CHEMBL598769 C-X-C chemokine receptor type 4 171 ChEMBL 10.1021/acsmedchemlett.8b00030 10.7270/Q2Z89FZD 29795757 Tahirovic, YA; Truax, VM; Wilson, RJ; Jecs, E; Nguyen, HH; Miller, EJ; Kim, MB; Kuo, KM; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50310000 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50310000&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 46230816 104164361 CHEMBL598769 ZINC49766409 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51096927 Cc1cc(Br)ccc1CNC(=O)c1nn(c(c1Cn1cncn1)-c1ccc(Br)cc1)-c1ccccc1Cl InChI=1S/C27H21Br2ClN6O/c1-17-12-21(29)11-8-19(17)13-32-27(37)25-22(14-35-16-31-15-33-35)26(18-6-9-20(28)10-7-18)36(34-25)24-5-3-2-4-23(24)30/h2-12,15-16H,13-14H2,1H3,(H,32,37) PZYIAIVLQMGYOR-UHFFFAOYSA-N 50310000 4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-bromophenyl)-N-(1-(4-bromophenyl)ethyl)-1-(2-chlorophenyl)-1H-pyrazole-3-carboxamide::CHEMBL598769 C-X-C chemokine receptor type 4 553 ChEMBL 10.1021/acsmedchemlett.8b00030 10.7270/Q2Z89FZD 29795757 Tahirovic, YA; Truax, VM; Wilson, RJ; Jecs, E; Nguyen, HH; Miller, EJ; Kim, MB; Kuo, KM; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50310000 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50310000&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 46230816 104164361 CHEMBL598769 ZINC49766409 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51096929 Cc1cc(Br)ccc1CNC(=O)c1nn(c(c1Cn1cncn1)-c1ccc(Br)cc1)-c1ccccc1Cl InChI=1S/C27H21Br2ClN6O/c1-17-12-21(29)11-8-19(17)13-32-27(37)25-22(14-35-16-31-15-33-35)26(18-6-9-20(28)10-7-18)36(34-25)24-5-3-2-4-23(24)30/h2-12,15-16H,13-14H2,1H3,(H,32,37) PZYIAIVLQMGYOR-UHFFFAOYSA-N 50310000 4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-bromophenyl)-N-(1-(4-bromophenyl)ethyl)-1-(2-chlorophenyl)-1H-pyrazole-3-carboxamide::CHEMBL598769 C-X-C chemokine receptor type 4 959 ChEMBL 10.1021/acsmedchemlett.8b00030 10.7270/Q2Z89FZD 29795757 Tahirovic, YA; Truax, VM; Wilson, RJ; Jecs, E; Nguyen, HH; Miller, EJ; Kim, MB; Kuo, KM; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50310000 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50310000&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 46230816 104164361 CHEMBL598769 ZINC49766409 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51096930 Cc1cc(Br)ccc1CNC(=O)c1nn(c(c1Cn1cncn1)-c1ccc(Br)cc1)-c1ccccc1Cl InChI=1S/C27H21Br2ClN6O/c1-17-12-21(29)11-8-19(17)13-32-27(37)25-22(14-35-16-31-15-33-35)26(18-6-9-20(28)10-7-18)36(34-25)24-5-3-2-4-23(24)30/h2-12,15-16H,13-14H2,1H3,(H,32,37) PZYIAIVLQMGYOR-UHFFFAOYSA-N 50310000 4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-bromophenyl)-N-(1-(4-bromophenyl)ethyl)-1-(2-chlorophenyl)-1H-pyrazole-3-carboxamide::CHEMBL598769 C-X-C chemokine receptor type 4 62 ChEMBL 10.1021/acsmedchemlett.8b00030 10.7270/Q2Z89FZD 29795757 Tahirovic, YA; Truax, VM; Wilson, RJ; Jecs, E; Nguyen, HH; Miller, EJ; Kim, MB; Kuo, KM; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50310000 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50310000&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 46230816 104164361 CHEMBL598769 ZINC49766409 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51096936 Cc1cc(Br)ccc1CNC(=O)c1nn(c(c1Cn1cncn1)-c1ccc(Br)cc1)-c1ccccc1Cl InChI=1S/C27H21Br2ClN6O/c1-17-12-21(29)11-8-19(17)13-32-27(37)25-22(14-35-16-31-15-33-35)26(18-6-9-20(28)10-7-18)36(34-25)24-5-3-2-4-23(24)30/h2-12,15-16H,13-14H2,1H3,(H,32,37) PZYIAIVLQMGYOR-UHFFFAOYSA-N 50310000 4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-bromophenyl)-N-(1-(4-bromophenyl)ethyl)-1-(2-chlorophenyl)-1H-pyrazole-3-carboxamide::CHEMBL598769 C-X-C chemokine receptor type 4 536 ChEMBL 10.1021/acsmedchemlett.8b00030 10.7270/Q2Z89FZD 29795757 Tahirovic, YA; Truax, VM; Wilson, RJ; Jecs, E; Nguyen, HH; Miller, EJ; Kim, MB; Kuo, KM; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50310000 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50310000&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 46230816 104164361 CHEMBL598769 ZINC49766409 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51096940 Cc1cc(Br)ccc1CNC(=O)c1nn(c(c1Cn1cncn1)-c1ccc(Br)cc1)-c1ccccc1Cl InChI=1S/C27H21Br2ClN6O/c1-17-12-21(29)11-8-19(17)13-32-27(37)25-22(14-35-16-31-15-33-35)26(18-6-9-20(28)10-7-18)36(34-25)24-5-3-2-4-23(24)30/h2-12,15-16H,13-14H2,1H3,(H,32,37) PZYIAIVLQMGYOR-UHFFFAOYSA-N 50310000 4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-bromophenyl)-N-(1-(4-bromophenyl)ethyl)-1-(2-chlorophenyl)-1H-pyrazole-3-carboxamide::CHEMBL598769 C-X-C chemokine receptor type 4 17 ChEMBL 10.1021/acsmedchemlett.8b00030 10.7270/Q2Z89FZD 29795757 Tahirovic, YA; Truax, VM; Wilson, RJ; Jecs, E; Nguyen, HH; Miller, EJ; Kim, MB; Kuo, KM; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50310000 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50310000&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 46230816 104164361 CHEMBL598769 ZINC49766409 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51011324 C\C(CN)=C(\F)CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 InChI=1S/C24H31FN4/c1-17(13-26)22(25)16-29(23-10-4-8-18-9-5-11-27-24(18)23)15-21-12-19-6-2-3-7-20(19)14-28-21/h2-3,5-7,9,11,21,23,28H,4,8,10,12-16,26H2,1H3/b22-17-/t21-,23+/m1/s1 VUKMAAVKUIIBCS-XXGJDRSASA-N 50286778 CHEMBL4175500 C-X-C chemokine receptor type 4 44 ChEMBL 10.1021/acsmedchemlett.7b00406 10.7270/Q2765HV5 29456793 Jecs, E; Miller, EJ; Wilson, RJ; Nguyen, HH; Tahirovic, YA; Katzman, BM; Truax, VM; Kim, MB; Kuo, KM; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50286778 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50286778&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 9868285 104128349 ZINC00598538 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51011327 NC(=O)NC\C=C/CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 InChI=1S/C24H31N5O/c25-24(30)27-12-3-4-14-29(22-11-5-9-18-10-6-13-26-23(18)22)17-21-15-19-7-1-2-8-20(19)16-28-21/h1-4,6-8,10,13,21-22,28H,5,9,11-12,14-17H2,(H3,25,27,30)/b4-3-/t21-,22+/m1/s1 ZEUBXUYIRFFOOY-QOZQEUDZSA-N 50286777 CHEMBL4160401 C-X-C chemokine receptor type 4 210 ChEMBL 10.1021/acsmedchemlett.7b00406 10.7270/Q2765HV5 29456793 Jecs, E; Miller, EJ; Wilson, RJ; Nguyen, HH; Tahirovic, YA; Katzman, BM; Truax, VM; Kim, MB; Kuo, KM; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50286777 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50286777&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 44264845 104128348 ZINC25975444 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51011379 NCC1=C(CN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc23)CCCC1 InChI=1S/C27H36N4/c28-16-22-8-2-4-10-24(22)18-31(26-13-5-11-20-12-6-14-29-27(20)26)19-25-15-21-7-1-3-9-23(21)17-30-25/h1,3,6-7,9,12,14,25-26,30H,2,4-5,8,10-11,13,15-19,28H2/t25-,26+/m1/s1 HCZHUJUTBCLSTK-FTJBHMTQSA-N 50286781 CHEMBL4167521 C-X-C chemokine receptor type 4 230 ChEMBL 10.1021/acsmedchemlett.7b00406 10.7270/Q2765HV5 29456793 Jecs, E; Miller, EJ; Wilson, RJ; Nguyen, HH; Tahirovic, YA; Katzman, BM; Truax, VM; Kim, MB; Kuo, KM; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50286781 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50286781&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 44264862 104128352 ZINC25974634 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51011380 C\C(CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)=C(\F)CN InChI=1S/C24H31FN4/c1-17(22(25)13-26)15-29(23-10-4-8-18-9-5-11-27-24(18)23)16-21-12-19-6-2-3-7-20(19)14-28-21/h2-3,5-7,9,11,21,23,28H,4,8,10,12-16,26H2,1H3/b22-17-/t21-,23+/m1/s1 MLQQKXMYXPIYTH-XXGJDRSASA-N 50286776 CHEMBL4169450 C-X-C chemokine receptor type 4 1800 ChEMBL 10.1021/acsmedchemlett.7b00406 10.7270/Q2765HV5 29456793 Jecs, E; Miller, EJ; Wilson, RJ; Nguyen, HH; Tahirovic, YA; Katzman, BM; Truax, VM; Kim, MB; Kuo, KM; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50286776 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50286776&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 44264807 104128347 ZINC25974840 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51011381 NCC1CC1CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 InChI=1S/C24H32N4/c25-13-20-11-21(20)15-28(23-9-3-7-17-8-4-10-26-24(17)23)16-22-12-18-5-1-2-6-19(18)14-27-22/h1-2,4-6,8,10,20-23,27H,3,7,9,11-16,25H2/t20?,21?,22-,23+/m1/s1 ZKWKKAVOVBLNQA-HDJSHQJTSA-N 50286782 CHEMBL4163770 C-X-C chemokine receptor type 4 6.40 ChEMBL 10.1021/acsmedchemlett.7b00406 10.7270/Q2765HV5 29456793 Jecs, E; Miller, EJ; Wilson, RJ; Nguyen, HH; Tahirovic, YA; Katzman, BM; Truax, VM; Kim, MB; Kuo, KM; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50286782 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50286782&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 44264901 104128353 ZINC25980088 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51011382 N[C@H]1CC[C@@H](CC1)N(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 InChI=1S/C25H34N4/c26-21-10-12-23(13-11-21)29(24-9-3-7-18-8-4-14-27-25(18)24)17-22-15-19-5-1-2-6-20(19)16-28-22/h1-2,4-6,8,14,21-24,28H,3,7,9-13,15-17,26H2/t21-,22-,23-,24+/m1/s1 HMEWDDRNEULPCX-YCAMKHIRSA-N 50286780 CHEMBL4175088 C-X-C chemokine receptor type 4 34 ChEMBL 10.1021/acsmedchemlett.7b00406 10.7270/Q2765HV5 29456793 Jecs, E; Miller, EJ; Wilson, RJ; Nguyen, HH; Tahirovic, YA; Katzman, BM; Truax, VM; Kim, MB; Kuo, KM; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50286780 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50286780&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 15226993 104128351 ZINC25977321 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51011466 NC\C=C/CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 InChI=1S/C23H30N4/c24-12-3-4-14-27(22-11-5-9-18-10-6-13-25-23(18)22)17-21-15-19-7-1-2-8-20(19)16-26-21/h1-4,6-8,10,13,21-22,26H,5,9,11-12,14-17,24H2/b4-3-/t21-,22+/m1/s1 VUXQRANDPGSPRS-QOZQEUDZSA-N 50270049 CHEMBL4096305 C-X-C chemokine receptor type 4 10.0 ChEMBL 10.1021/acsmedchemlett.7b00406 10.7270/Q2765HV5 29456793 Jecs, E; Miller, EJ; Wilson, RJ; Nguyen, HH; Tahirovic, YA; Katzman, BM; Truax, VM; Kim, MB; Kuo, KM; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270049 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270049&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137655938 404961825 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51011467 NC\C=C\CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 InChI=1S/C23H30N4/c24-12-3-4-14-27(22-11-5-9-18-10-6-13-25-23(18)22)17-21-15-19-7-1-2-8-20(19)16-26-21/h1-4,6-8,10,13,21-22,26H,5,9,11-12,14-17,24H2/b4-3+/t21-,22+/m1/s1 VUXQRANDPGSPRS-DTDVHRGSSA-N 50270293 CHEMBL4086147 C-X-C chemokine receptor type 4 130 ChEMBL 10.1021/acsmedchemlett.7b00406 10.7270/Q2765HV5 29456793 Jecs, E; Miller, EJ; Wilson, RJ; Nguyen, HH; Tahirovic, YA; Katzman, BM; Truax, VM; Kim, MB; Kuo, KM; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270293 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270293&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 137641749 404961843 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51011468 C\C(CN)=C\CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 InChI=1S/C24H32N4/c1-18(15-25)11-13-28(23-10-4-8-19-9-5-12-26-24(19)23)17-22-14-20-6-2-3-7-21(20)16-27-22/h2-3,5-7,9,11-12,22-23,27H,4,8,10,13-17,25H2,1H3/b18-11-/t22-,23+/m1/s1 BASXCEHVMKEGCB-CWHOZVNYSA-N 50286783 CHEMBL4159607 C-X-C chemokine receptor type 4 8.6 ChEMBL 10.1021/acsmedchemlett.7b00406 10.7270/Q2765HV5 29456793 Jecs, E; Miller, EJ; Wilson, RJ; Nguyen, HH; Tahirovic, YA; Katzman, BM; Truax, VM; Kim, MB; Kuo, KM; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50286783 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50286783&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 44264881 104128354 ZINC25975945 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51011469 C\C(CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)=C\CN InChI=1S/C24H32N4/c1-18(11-12-25)16-28(23-10-4-8-19-9-5-13-26-24(19)23)17-22-14-20-6-2-3-7-21(20)15-27-22/h2-3,5-7,9,11,13,22-23,27H,4,8,10,12,14-17,25H2,1H3/b18-11-/t22-,23+/m1/s1 KDSKMOVNVSMORM-CWHOZVNYSA-N 50286788 CHEMBL4164075 C-X-C chemokine receptor type 4 28 ChEMBL 10.1021/acsmedchemlett.7b00406 10.7270/Q2765HV5 29456793 Jecs, E; Miller, EJ; Wilson, RJ; Nguyen, HH; Tahirovic, YA; Katzman, BM; Truax, VM; Kim, MB; Kuo, KM; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50286788 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50286788&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 19013347 104128359 ZINC25972648 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51011470 C\C(CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)=C(/F)CN InChI=1S/C24H31FN4/c1-17(22(25)13-26)15-29(23-10-4-8-18-9-5-11-27-24(18)23)16-21-12-19-6-2-3-7-20(19)14-28-21/h2-3,5-7,9,11,21,23,28H,4,8,10,12-16,26H2,1H3/b22-17+/t21-,23+/m1/s1 MLQQKXMYXPIYTH-JSVKHPCNSA-N 50286779 CHEMBL4174727 C-X-C chemokine receptor type 4 80 ChEMBL 10.1021/acsmedchemlett.7b00406 10.7270/Q2765HV5 29456793 Jecs, E; Miller, EJ; Wilson, RJ; Nguyen, HH; Tahirovic, YA; Katzman, BM; Truax, VM; Kim, MB; Kuo, KM; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50286779 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50286779&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 44264968 104128350 ZINC25979465 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51011471 C\C(CN)=C(/F)CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 InChI=1S/C24H31FN4/c1-17(13-26)22(25)16-29(23-10-4-8-18-9-5-11-27-24(18)23)15-21-12-19-6-2-3-7-20(19)14-28-21/h2-3,5-7,9,11,21,23,28H,4,8,10,12-16,26H2,1H3/b22-17+/t21-,23+/m1/s1 VUKMAAVKUIIBCS-JSVKHPCNSA-N 50286786 CHEMBL4161528 C-X-C chemokine receptor type 4 28 ChEMBL 10.1021/acsmedchemlett.7b00406 10.7270/Q2765HV5 29456793 Jecs, E; Miller, EJ; Wilson, RJ; Nguyen, HH; Tahirovic, YA; Katzman, BM; Truax, VM; Kim, MB; Kuo, KM; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50286786 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50286786&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 15226990 104128357 ZINC25975925 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51011472 FC1(F)CCC(CC1)NC\C=C/CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 InChI=1S/C29H38F2N4/c30-29(31)14-12-25(13-15-29)32-16-3-4-18-35(27-11-5-9-22-10-6-17-33-28(22)27)21-26-19-23-7-1-2-8-24(23)20-34-26/h1-4,6-8,10,17,25-27,32,34H,5,9,11-16,18-21H2/b4-3-/t26-,27+/m1/s1 UOJYAHYPXYXUMQ-DKGWXTDUSA-N 50286784 CHEMBL4164874 C-X-C chemokine receptor type 4 98 ChEMBL 10.1021/acsmedchemlett.7b00406 10.7270/Q2765HV5 29456793 Jecs, E; Miller, EJ; Wilson, RJ; Nguyen, HH; Tahirovic, YA; Katzman, BM; Truax, VM; Kim, MB; Kuo, KM; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50286784 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50286784&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 44264910 104128355 ZINC25976684 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51011473 NCC1CC1CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 InChI=1S/C24H32N4/c25-13-20-11-21(20)15-28(23-9-3-7-17-8-4-10-26-24(17)23)16-22-12-18-5-1-2-6-19(18)14-27-22/h1-2,4-6,8,10,20-23,27H,3,7,9,11-16,25H2/t20?,21?,22-,23+/m1/s1 ZKWKKAVOVBLNQA-HDJSHQJTSA-N 50286782 CHEMBL4163770 C-X-C chemokine receptor type 4 6.4 ChEMBL 10.1021/acsmedchemlett.7b00406 10.7270/Q2765HV5 29456793 Jecs, E; Miller, EJ; Wilson, RJ; Nguyen, HH; Tahirovic, YA; Katzman, BM; Truax, VM; Kim, MB; Kuo, KM; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50286782 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50286782&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 44264901 104128353 ZINC25980088 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51011474 N[C@H]1CC[C@H](CN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc23)CC1 InChI=1S/C26H36N4/c27-23-12-10-19(11-13-23)17-30(25-9-3-7-20-8-4-14-28-26(20)25)18-24-15-21-5-1-2-6-22(21)16-29-24/h1-2,4-6,8,14,19,23-25,29H,3,7,9-13,15-18,27H2/t19-,23-,24-,25+/m1/s1 GSKIEMCFCQSCTJ-KXMWUTRISA-N 50286785 CHEMBL4171643 C-X-C chemokine receptor type 4 280 ChEMBL 10.1021/acsmedchemlett.7b00406 10.7270/Q2765HV5 29456793 Jecs, E; Miller, EJ; Wilson, RJ; Nguyen, HH; Tahirovic, YA; Katzman, BM; Truax, VM; Kim, MB; Kuo, KM; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50286785 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50286785&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 15226995 104128356 ZINC25976693 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51011475 NC[C@H]1CC[C@H](CN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc23)CC1 InChI=1S/C27H38N4/c28-16-20-10-12-21(13-11-20)18-31(26-9-3-7-22-8-4-14-29-27(22)26)19-25-15-23-5-1-2-6-24(23)17-30-25/h1-2,4-6,8,14,20-21,25-26,30H,3,7,9-13,15-19,28H2/t20-,21-,25-,26+/m1/s1 GRSKXOFKOCSQIF-ZEZQGNGESA-N 50286789 CHEMBL4167221 C-X-C chemokine receptor type 4 340 ChEMBL 10.1021/acsmedchemlett.7b00406 10.7270/Q2765HV5 29456793 Jecs, E; Miller, EJ; Wilson, RJ; Nguyen, HH; Tahirovic, YA; Katzman, BM; Truax, VM; Kim, MB; Kuo, KM; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50286789 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50286789&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 44264761 104128360 ZINC25973036 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51011476 N[C@H]1CC[C@H](CC1)N(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 InChI=1S/C25H34N4/c26-21-10-12-23(13-11-21)29(24-9-3-7-18-8-4-14-27-25(18)24)17-22-15-19-5-1-2-6-20(19)16-28-22/h1-2,4-6,8,14,21-24,28H,3,7,9-13,15-17,26H2/t21-,22-,23+,24+/m1/s1 HMEWDDRNEULPCX-LWSSLDFYSA-N 50286787 CHEMBL4161850 C-X-C chemokine receptor type 4 1800 ChEMBL 10.1021/acsmedchemlett.7b00406 10.7270/Q2765HV5 29456793 Jecs, E; Miller, EJ; Wilson, RJ; Nguyen, HH; Tahirovic, YA; Katzman, BM; Truax, VM; Kim, MB; Kuo, KM; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50286787 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50286787&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 44264828 104128358 ZINC25979596 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51047085 CN(Cc1cc(ccn1)N1CCN(C)CC1)C1CCCc2cccnc12 InChI=1S/C21H29N5/c1-24-11-13-26(14-12-24)19-8-10-22-18(15-19)16-25(2)20-7-3-5-17-6-4-9-23-21(17)20/h4,6,8-10,15,20H,3,5,7,11-14,16H2,1-2H3 BAXHMTUVQQKBED-UHFFFAOYSA-N 50458235 CHEMBL4207646 C-X-C chemokine receptor type 4 200 ChEMBL 10.1016/j.ejmech.2018.02.042 10.7270/Q2TH8QBF 29494843 Li, Z; Wang, Y; Fu, C; Wang, X; Wang, JJ; Zhang, Y; Zhou, D; Zhao, Y; Luo, L; Ma, H; Lu, W; Zheng, J; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50458235 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50458235&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 145976437 433925500 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51047086 CN(C)C1CCN(C1)N(Cc1ccncn1)C1CCCc2cccnc12 InChI=1S/C20H28N6/c1-24(2)18-9-12-25(14-18)26(13-17-8-11-21-15-23-17)19-7-3-5-16-6-4-10-22-20(16)19/h4,6,8,10-11,15,18-19H,3,5,7,9,12-14H2,1-2H3 JWKVNXFCPRWNRC-UHFFFAOYSA-N 50458236 CHEMBL4207399 C-X-C chemokine receptor type 4 150 ChEMBL 10.1016/j.ejmech.2018.02.042 10.7270/Q2TH8QBF 29494843 Li, Z; Wang, Y; Fu, C; Wang, X; Wang, JJ; Zhang, Y; Zhou, D; Zhao, Y; Luo, L; Ma, H; Lu, W; Zheng, J; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50458236 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50458236&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 145977928 433925501 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51047087 CN(Cc1nccc(n1)N1CCN(C)CC1)C1CCCc2cccnc12 InChI=1S/C20H28N6/c1-24-11-13-26(14-12-24)19-8-10-21-18(23-19)15-25(2)17-7-3-5-16-6-4-9-22-20(16)17/h4,6,8-10,17H,3,5,7,11-15H2,1-2H3 BLXXOLFCZSFQJY-UHFFFAOYSA-N 50458237 CHEMBL4207126 C-X-C chemokine receptor type 4 180 ChEMBL 10.1016/j.ejmech.2018.02.042 10.7270/Q2TH8QBF 29494843 Li, Z; Wang, Y; Fu, C; Wang, X; Wang, JJ; Zhang, Y; Zhou, D; Zhao, Y; Luo, L; Ma, H; Lu, W; Zheng, J; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50458237 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50458237&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 138491830 433925502 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51047088 C(N1CCCNCCNCCCNCC1)c1ccc(CN2CCCNCCNCCCNCC2)cc1 InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2 YIQPUIGJQJDJOS-UHFFFAOYSA-N 50035696 1,1''-{1,4-phenylenebis(methylene)}-bis{1,4,8,11-tetraaza-cyclotetradecane}::1,4,8,11-tetraazacyclotetradecanyl[4-(1,4,8,11-tetraazacyclotetradecanylmethyl)phenyl]methane::1,4,8,11-tetraazacyclotetradecanyl[4-(1,4,8,11-tetraazacyclotetradecanylmethyl)phenyl]methane(8HBr.2H2O)::1,4-bis((1,4,8,11-tetraazacyclotetradecan-1-yl)methyl)benzene::11''-xylyl bis-1,4,8,11-tetraazacyclotetradecane::11-{4-[4,8, 11-1,4,8,11tetraaza-cyclotetradec-1-ylmethyl]-benzyl}-1,4,8,11tetraaza-cyclotetradecane-1,4,8-tricarboxylic acid tri-tert-butyl ester::AMD-3100::CHEMBL18442::CHEMBL2311089::PLERIXAFOR::PLERIXAFOR OCTAHYDROCHLORIDE::US9205085, MSX-162 C-X-C chemokine receptor type 4 290 ChEMBL 10.1016/j.ejmech.2018.02.042 10.7270/Q2TH8QBF 29494843 Li, Z; Wang, Y; Fu, C; Wang, X; Wang, JJ; Zhang, Y; Zhou, D; Zhao, Y; Luo, L; Ma, H; Lu, W; Zheng, J; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50035696 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50035696&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 65015 103943663 CHEMBL2311089CHEMBL18442 DB06809 844 ZINC22443609 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51047089 CN(Cc1cc(ncn1)N1CCN(C)CC1)[C@H]1CCCc2cccnc12 InChI=1S/C20H28N6/c1-24-9-11-26(12-10-24)19-13-17(22-15-23-19)14-25(2)18-7-3-5-16-6-4-8-21-20(16)18/h4,6,8,13,15,18H,3,5,7,9-12,14H2,1-2H3/t18-/m0/s1 LPTRCGOYHAYNCF-SFHVURJKSA-N 50458238 CHEMBL4203703 C-X-C chemokine receptor type 4 0.730000 ChEMBL 10.1016/j.ejmech.2018.02.042 10.7270/Q2TH8QBF 29494843 Li, Z; Wang, Y; Fu, C; Wang, X; Wang, JJ; Zhang, Y; Zhou, D; Zhao, Y; Luo, L; Ma, H; Lu, W; Zheng, J; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50458238 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50458238&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 145975799 433925503 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51047090 CN(C)C1CCN(CC1)N(Cc1ccncn1)C1CCCc2cccnc12 InChI=1S/C21H30N6/c1-25(2)19-9-13-26(14-10-19)27(15-18-8-12-22-16-24-18)20-7-3-5-17-6-4-11-23-21(17)20/h4,6,8,11-12,16,19-20H,3,5,7,9-10,13-15H2,1-2H3 JRSONYCSISZJGD-UHFFFAOYSA-N 50458239 CHEMBL4202510 C-X-C chemokine receptor type 4 630 ChEMBL 10.1016/j.ejmech.2018.02.042 10.7270/Q2TH8QBF 29494843 Li, Z; Wang, Y; Fu, C; Wang, X; Wang, JJ; Zhang, Y; Zhou, D; Zhao, Y; Luo, L; Ma, H; Lu, W; Zheng, J; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50458239 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50458239&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 145975500 433925504 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51047091 C(N1CCCNCCNCCCNCC1)c1ccc(CN2CCCNCCNCCCNCC2)cc1 InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2 YIQPUIGJQJDJOS-UHFFFAOYSA-N 50035696 1,1''-{1,4-phenylenebis(methylene)}-bis{1,4,8,11-tetraaza-cyclotetradecane}::1,4,8,11-tetraazacyclotetradecanyl[4-(1,4,8,11-tetraazacyclotetradecanylmethyl)phenyl]methane::1,4,8,11-tetraazacyclotetradecanyl[4-(1,4,8,11-tetraazacyclotetradecanylmethyl)phenyl]methane(8HBr.2H2O)::1,4-bis((1,4,8,11-tetraazacyclotetradecan-1-yl)methyl)benzene::11''-xylyl bis-1,4,8,11-tetraazacyclotetradecane::11-{4-[4,8, 11-1,4,8,11tetraaza-cyclotetradec-1-ylmethyl]-benzyl}-1,4,8,11tetraaza-cyclotetradecane-1,4,8-tricarboxylic acid tri-tert-butyl ester::AMD-3100::CHEMBL18442::CHEMBL2311089::PLERIXAFOR::PLERIXAFOR OCTAHYDROCHLORIDE::US9205085, MSX-162 C-X-C chemokine receptor type 4 18 ChEMBL 10.1016/j.ejmech.2018.02.042 10.7270/Q2TH8QBF 29494843 Li, Z; Wang, Y; Fu, C; Wang, X; Wang, JJ; Zhang, Y; Zhou, D; Zhao, Y; Luo, L; Ma, H; Lu, W; Zheng, J; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50035696 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50035696&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 65015 103943663 CHEMBL2311089CHEMBL18442 DB06809 844 ZINC22443609 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51047113 CN1CCN(CC1)c1cc(CN(CCCCN)C2CCCc3cccnc23)ncn1 InChI=1S/C23H35N7/c1-28-12-14-29(15-13-28)22-16-20(26-18-27-22)17-30(11-3-2-9-24)21-8-4-6-19-7-5-10-25-23(19)21/h5,7,10,16,18,21H,2-4,6,8-9,11-15,17,24H2,1H3 XMTBUALKDYUVME-UHFFFAOYSA-N 50458240 CHEMBL4214538 C-X-C chemokine receptor type 4 18 ChEMBL 10.1016/j.ejmech.2018.02.042 10.7270/Q2TH8QBF 29494843 Li, Z; Wang, Y; Fu, C; Wang, X; Wang, JJ; Zhang, Y; Zhou, D; Zhao, Y; Luo, L; Ma, H; Lu, W; Zheng, J; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50458240 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50458240&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 145972040 433925505 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51047126 CN1CCN(CC1)c1cc(CN(CCCCNC(=O)OC(C)(C)C)C2CCCc3cccnc23)ncn1 InChI=1S/C28H43N7O2/c1-28(2,3)37-27(36)30-12-5-6-14-35(24-11-7-9-22-10-8-13-29-26(22)24)20-23-19-25(32-21-31-23)34-17-15-33(4)16-18-34/h8,10,13,19,21,24H,5-7,9,11-12,14-18,20H2,1-4H3,(H,30,36) NTBMKKAGZYVRGZ-UHFFFAOYSA-N 50458241 CHEMBL4203303 C-X-C chemokine receptor type 4 18 ChEMBL 10.1016/j.ejmech.2018.02.042 10.7270/Q2TH8QBF 29494843 Li, Z; Wang, Y; Fu, C; Wang, X; Wang, JJ; Zhang, Y; Zhou, D; Zhao, Y; Luo, L; Ma, H; Lu, W; Zheng, J; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50458241 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50458241&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 145975537 433925506 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51047127 CN(Cc1ccnc(c1)N1CCN(C)CC1)C1CCCc2cccnc12 InChI=1S/C21H29N5/c1-24-11-13-26(14-12-24)20-15-17(8-10-22-20)16-25(2)19-7-3-5-18-6-4-9-23-21(18)19/h4,6,8-10,15,19H,3,5,7,11-14,16H2,1-2H3 VUIHBPMREPRCQE-UHFFFAOYSA-N 50458242 CHEMBL4202776 C-X-C chemokine receptor type 4 >10000 ChEMBL 10.1016/j.ejmech.2018.02.042 10.7270/Q2TH8QBF 29494843 Li, Z; Wang, Y; Fu, C; Wang, X; Wang, JJ; Zhang, Y; Zhou, D; Zhao, Y; Luo, L; Ma, H; Lu, W; Zheng, J; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50458242 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50458242&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 138501771 433925507 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51047129 CN(Cc1cccc(n1)N1CCN(C)CC1)C1CCCc2cccnc12 InChI=1S/C21H29N5/c1-24-12-14-26(15-13-24)20-10-4-8-18(23-20)16-25(2)19-9-3-6-17-7-5-11-22-21(17)19/h4-5,7-8,10-11,19H,3,6,9,12-16H2,1-2H3 AISQVXALLKVKPM-UHFFFAOYSA-N 50458243 CHEMBL4210451 C-X-C chemokine receptor type 4 >10000 ChEMBL 10.1016/j.ejmech.2018.02.042 10.7270/Q2TH8QBF 29494843 Li, Z; Wang, Y; Fu, C; Wang, X; Wang, JJ; Zhang, Y; Zhou, D; Zhao, Y; Luo, L; Ma, H; Lu, W; Zheng, J; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50458243 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50458243&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 138491853 433925508 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51047130 CN(Cc1ccncn1)C1CCCc2cccnc12 InChI=1S/C15H18N4/c1-19(10-13-7-9-16-11-18-13)14-6-2-4-12-5-3-8-17-15(12)14/h3,5,7-9,11,14H,2,4,6,10H2,1H3 MNALCHUSVLVHTJ-UHFFFAOYSA-N 50458244 CHEMBL4211489 C-X-C chemokine receptor type 4 >10000 ChEMBL 10.1016/j.ejmech.2018.02.042 10.7270/Q2TH8QBF 29494843 Li, Z; Wang, Y; Fu, C; Wang, X; Wang, JJ; Zhang, Y; Zhou, D; Zhao, Y; Luo, L; Ma, H; Lu, W; Zheng, J; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50458244 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50458244&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 138491848 433925509 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51047132 CC(C)(C)OC(=O)N1CCN(CC1)N(Cc1ccncn1)C1CCCc2cccnc12 InChI=1S/C23H32N6O2/c1-23(2,3)31-22(30)27-12-14-28(15-13-27)29(16-19-9-11-24-17-26-19)20-8-4-6-18-7-5-10-25-21(18)20/h5,7,9-11,17,20H,4,6,8,12-16H2,1-3H3 LUWOYTVQEFACAW-UHFFFAOYSA-N 50458245 CHEMBL4214030 C-X-C chemokine receptor type 4 >10000 ChEMBL 10.1016/j.ejmech.2018.02.042 10.7270/Q2TH8QBF 29494843 Li, Z; Wang, Y; Fu, C; Wang, X; Wang, JJ; Zhang, Y; Zhou, D; Zhao, Y; Luo, L; Ma, H; Lu, W; Zheng, J; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50458245 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50458245&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 145965140 433925510 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51047137 C(N(C1CCCc2cccnc12)N1CCNCC1)c1ccncn1 InChI=1S/C18H24N6/c1-3-15-4-2-7-21-18(15)17(5-1)24(23-11-9-19-10-12-23)13-16-6-8-20-14-22-16/h2,4,6-8,14,17,19H,1,3,5,9-13H2 ILURUIIQIAMAGZ-UHFFFAOYSA-N 50458246 CHEMBL4209872 C-X-C chemokine receptor type 4 2600 ChEMBL 10.1016/j.ejmech.2018.02.042 10.7270/Q2TH8QBF 29494843 Li, Z; Wang, Y; Fu, C; Wang, X; Wang, JJ; Zhang, Y; Zhou, D; Zhao, Y; Luo, L; Ma, H; Lu, W; Zheng, J; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50458246 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50458246&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 145964516 433925511 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51047138 CCN1CCN(CC1)N(Cc1ccncn1)C1CCCc2cccnc12 InChI=1S/C20H28N6/c1-2-24-11-13-25(14-12-24)26(15-18-8-10-21-16-23-18)19-7-3-5-17-6-4-9-22-20(17)19/h4,6,8-10,16,19H,2-3,5,7,11-15H2,1H3 STTQFEWOOMJOTH-UHFFFAOYSA-N 50458247 CHEMBL4203042 C-X-C chemokine receptor type 4 320 ChEMBL 10.1016/j.ejmech.2018.02.042 10.7270/Q2TH8QBF 29494843 Li, Z; Wang, Y; Fu, C; Wang, X; Wang, JJ; Zhang, Y; Zhou, D; Zhao, Y; Luo, L; Ma, H; Lu, W; Zheng, J; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50458247 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50458247&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 145976496 433925512 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51047139 OCCN1CCN(CC1)N(Cc1ccncn1)C1CCCc2cccnc12 InChI=1S/C20H28N6O/c27-14-13-24-9-11-25(12-10-24)26(15-18-6-8-21-16-23-18)19-5-1-3-17-4-2-7-22-20(17)19/h2,4,6-8,16,19,27H,1,3,5,9-15H2 JUIKFEOXCWDFDV-UHFFFAOYSA-N 50458248 CHEMBL4206872 C-X-C chemokine receptor type 4 290 ChEMBL 10.1016/j.ejmech.2018.02.042 10.7270/Q2TH8QBF 29494843 Li, Z; Wang, Y; Fu, C; Wang, X; Wang, JJ; Zhang, Y; Zhou, D; Zhao, Y; Luo, L; Ma, H; Lu, W; Zheng, J; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50458248 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50458248&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 145975925 433925513 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51047149 CN1CCCN(CC1)N(Cc1ccncn1)C1CCCc2cccnc12 InChI=1S/C20H28N6/c1-24-11-4-12-25(14-13-24)26(15-18-8-10-21-16-23-18)19-7-2-5-17-6-3-9-22-20(17)19/h3,6,8-10,16,19H,2,4-5,7,11-15H2,1H3 NXNIJUFHZFRIRS-UHFFFAOYSA-N 50458249 CHEMBL4211758 C-X-C chemokine receptor type 4 170 ChEMBL 10.1016/j.ejmech.2018.02.042 10.7270/Q2TH8QBF 29494843 Li, Z; Wang, Y; Fu, C; Wang, X; Wang, JJ; Zhang, Y; Zhou, D; Zhao, Y; Luo, L; Ma, H; Lu, W; Zheng, J; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50458249 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50458249&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 145966697 433925514 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51047150 C(CN1CCOCC1)NN(Cc1ccncn1)C1CCCc2cccnc12 InChI=1S/C20H28N6O/c1-3-17-4-2-7-22-20(17)19(5-1)26(15-18-6-8-21-16-23-18)24-9-10-25-11-13-27-14-12-25/h2,4,6-8,16,19,24H,1,3,5,9-15H2 OAOAGAOOVCFGLR-UHFFFAOYSA-N 50458250 CHEMBL4218715 C-X-C chemokine receptor type 4 640 ChEMBL 10.1016/j.ejmech.2018.02.042 10.7270/Q2TH8QBF 29494843 Li, Z; Wang, Y; Fu, C; Wang, X; Wang, JJ; Zhang, Y; Zhou, D; Zhao, Y; Luo, L; Ma, H; Lu, W; Zheng, J; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50458250 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50458250&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 145969178 433925515 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51047151 CN(Cc1cc(ncn1)N1CCN(C)CC1)[C@H]1CCCc2cccnc12 InChI=1S/C20H28N6/c1-24-9-11-26(12-10-24)19-13-17(22-15-23-19)14-25(2)18-7-3-5-16-6-4-8-21-20(16)18/h4,6,8,13,15,18H,3,5,7,9-12,14H2,1-2H3/t18-/m0/s1 LPTRCGOYHAYNCF-SFHVURJKSA-N 50458238 CHEMBL4203703 C-X-C chemokine receptor type 4 88 ChEMBL 10.1016/j.ejmech.2018.02.042 10.7270/Q2TH8QBF 29494843 Li, Z; Wang, Y; Fu, C; Wang, X; Wang, JJ; Zhang, Y; Zhou, D; Zhao, Y; Luo, L; Ma, H; Lu, W; Zheng, J; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50458238 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50458238&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 145975799 433925503 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51047152 CN(Cc1cc(ncn1)N1CCN(C)CC1)[C@@H]1CCCc2cccnc12 InChI=1S/C20H28N6/c1-24-9-11-26(12-10-24)19-13-17(22-15-23-19)14-25(2)18-7-3-5-16-6-4-8-21-20(16)18/h4,6,8,13,15,18H,3,5,7,9-12,14H2,1-2H3/t18-/m1/s1 LPTRCGOYHAYNCF-GOSISDBHSA-N 50458251 CHEMBL4215380 C-X-C chemokine receptor type 4 1300 ChEMBL 10.1016/j.ejmech.2018.02.042 10.7270/Q2TH8QBF 29494843 Li, Z; Wang, Y; Fu, C; Wang, X; Wang, JJ; Zhang, Y; Zhou, D; Zhao, Y; Luo, L; Ma, H; Lu, W; Zheng, J; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50458251 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50458251&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 145972313 433925516 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51047153 CN(Cc1cc(ncn1)N1CCN(C)CC1)[C@@H]1CCCc2cccnc12 InChI=1S/C20H28N6/c1-24-9-11-26(12-10-24)19-13-17(22-15-23-19)14-25(2)18-7-3-5-16-6-4-8-21-20(16)18/h4,6,8,13,15,18H,3,5,7,9-12,14H2,1-2H3/t18-/m1/s1 LPTRCGOYHAYNCF-GOSISDBHSA-N 50458251 CHEMBL4215380 C-X-C chemokine receptor type 4 68 ChEMBL 10.1016/j.ejmech.2018.02.042 10.7270/Q2TH8QBF 29494843 Li, Z; Wang, Y; Fu, C; Wang, X; Wang, JJ; Zhang, Y; Zhou, D; Zhao, Y; Luo, L; Ma, H; Lu, W; Zheng, J; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50458251 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50458251&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 145972313 433925516 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51047155 Cl.CN(Cc1cc(ncn1)N1CCN(C)CC1)C1CCCc2cccnc12 InChI=1S/C20H28N6.ClH/c1-24-9-11-26(12-10-24)19-13-17(22-15-23-19)14-25(2)18-7-3-5-16-6-4-8-21-20(16)18;/h4,6,8,13,15,18H,3,5,7,9-12,14H2,1-2H3;1H PWXXVJWHJKVJJT-UHFFFAOYSA-N 50458252 CHEMBL4214960 C-X-C chemokine receptor type 4 54 ChEMBL 10.1016/j.ejmech.2018.02.042 10.7270/Q2TH8QBF 29494843 Li, Z; Wang, Y; Fu, C; Wang, X; Wang, JJ; Zhang, Y; Zhou, D; Zhao, Y; Luo, L; Ma, H; Lu, W; Zheng, J; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50458252 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50458252&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 145973908 433925517 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51047156 CN(Cc1cc(ncn1)N(C)C)C1CCCc2cccnc12 InChI=1S/C17H23N5/c1-21(2)16-10-14(19-12-20-16)11-22(3)15-8-4-6-13-7-5-9-18-17(13)15/h5,7,9-10,12,15H,4,6,8,11H2,1-3H3 UHSKMOAGNXSHLO-UHFFFAOYSA-N 50458253 CHEMBL4218952 C-X-C chemokine receptor type 4 >10000 ChEMBL 10.1016/j.ejmech.2018.02.042 10.7270/Q2TH8QBF 29494843 Li, Z; Wang, Y; Fu, C; Wang, X; Wang, JJ; Zhang, Y; Zhou, D; Zhao, Y; Luo, L; Ma, H; Lu, W; Zheng, J; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50458253 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50458253&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 138501774 433925518 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51047157 C(C1CC1)N1CCN(CC1)N(Cc1ccncn1)C1CCCc2cccnc12 InChI=1S/C22H30N6/c1-3-19-4-2-9-24-22(19)21(5-1)28(16-20-8-10-23-17-25-20)27-13-11-26(12-14-27)15-18-6-7-18/h2,4,8-10,17-18,21H,1,3,5-7,11-16H2 IQOSLDBZNGOXDQ-UHFFFAOYSA-N 50458254 CHEMBL4215245 C-X-C chemokine receptor type 4 1050 ChEMBL 10.1016/j.ejmech.2018.02.042 10.7270/Q2TH8QBF 29494843 Li, Z; Wang, Y; Fu, C; Wang, X; Wang, JJ; Zhang, Y; Zhou, D; Zhao, Y; Luo, L; Ma, H; Lu, W; Zheng, J; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50458254 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50458254&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 145974150 433925519 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51047158 CN(C)CCN(C)N(Cc1ccncn1)C1CCCc2cccnc12 InChI=1S/C19H28N6/c1-23(2)12-13-24(3)25(14-17-9-11-20-15-22-17)18-8-4-6-16-7-5-10-21-19(16)18/h5,7,9-11,15,18H,4,6,8,12-14H2,1-3H3 GVSCHAAKHKSNHD-UHFFFAOYSA-N 50458255 CHEMBL4213783 C-X-C chemokine receptor type 4 1020 ChEMBL 10.1016/j.ejmech.2018.02.042 10.7270/Q2TH8QBF 29494843 Li, Z; Wang, Y; Fu, C; Wang, X; Wang, JJ; Zhang, Y; Zhou, D; Zhao, Y; Luo, L; Ma, H; Lu, W; Zheng, J; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50458255 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50458255&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 145965128 433925520 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51047159 Cl.CN(Cc1cc(ncn1)N1CCN(C)CC1)C1CCCc2cccnc12 InChI=1S/C20H28N6.ClH/c1-24-9-11-26(12-10-24)19-13-17(22-15-23-19)14-25(2)18-7-3-5-16-6-4-8-21-20(16)18;/h4,6,8,13,15,18H,3,5,7,9-12,14H2,1-2H3;1H PWXXVJWHJKVJJT-UHFFFAOYSA-N 50458252 CHEMBL4214960 C-X-C chemokine receptor type 4 2.3 ChEMBL 10.1016/j.ejmech.2018.02.042 10.7270/Q2TH8QBF 29494843 Li, Z; Wang, Y; Fu, C; Wang, X; Wang, JJ; Zhang, Y; Zhou, D; Zhao, Y; Luo, L; Ma, H; Lu, W; Zheng, J; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50458252 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50458252&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 145973908 433925517 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51047160 CC(C)N1CCN(CC1)N(Cc1ccncn1)C1CCCc2cccnc12 InChI=1S/C21H30N6/c1-17(2)25-11-13-26(14-12-25)27(15-19-8-10-22-16-24-19)20-7-3-5-18-6-4-9-23-21(18)20/h4,6,8-10,16-17,20H,3,5,7,11-15H2,1-2H3 OXYOGGMFEOPAMV-UHFFFAOYSA-N 50458256 CHEMBL4216789 C-X-C chemokine receptor type 4 210 ChEMBL 10.1016/j.ejmech.2018.02.042 10.7270/Q2TH8QBF 29494843 Li, Z; Wang, Y; Fu, C; Wang, X; Wang, JJ; Zhang, Y; Zhou, D; Zhao, Y; Luo, L; Ma, H; Lu, W; Zheng, J; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50458256 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50458256&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 145972839 433925521 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51047161 CN(Cc1ccnc(n1)N1CCN(C)CC1)C1CCCc2cccnc12 InChI=1S/C20H28N6/c1-24-11-13-26(14-12-24)20-22-10-8-17(23-20)15-25(2)18-7-3-5-16-6-4-9-21-19(16)18/h4,6,8-10,18H,3,5,7,11-15H2,1-2H3 SHYOPKGHEZXRKO-UHFFFAOYSA-N 50458257 CHEMBL4203626 C-X-C chemokine receptor type 4 >10000 ChEMBL 10.1016/j.ejmech.2018.02.042 10.7270/Q2TH8QBF 29494843 Li, Z; Wang, Y; Fu, C; Wang, X; Wang, JJ; Zhang, Y; Zhou, D; Zhao, Y; Luo, L; Ma, H; Lu, W; Zheng, J; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50458257 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50458257&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 138501773 433925522 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51047389 FC(F)(F)c1ccc(NC(=O)NCCc2ccc3CCCNc3n2)cc1 InChI=1S/C18H19F3N4O/c19-18(20,21)13-4-7-14(8-5-13)25-17(26)23-11-9-15-6-3-12-2-1-10-22-16(12)24-15/h3-8H,1-2,9-11H2,(H,22,24)(H2,23,25,26) RDNIJWQUASKSAM-UHFFFAOYSA-N 50458277 CHEMBL4212087 C-X-C chemokine receptor type 4 600 ChEMBL 10.1016/j.ejmech.2018.02.043 10.7270/Q2F76G5C 29500940 Peng, D; Cao, B; Zhou, YJ; Long, YQ Central South University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50458277 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50458277&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 70887095 433925542 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51047390 CCN(CC)CCCC(C)Nc1cc(\C=C\c2ccc(cc2)[N+]([O-])=O)nc2cc(OC)ccc12 InChI=1S/C27H34N4O3/c1-5-30(6-2)17-7-8-20(3)28-26-18-22(29-27-19-24(34-4)15-16-25(26)27)12-9-21-10-13-23(14-11-21)31(32)33/h9-16,18-20H,5-8,17H2,1-4H3,(H,28,29)/b12-9+ LJBAIPFUPVEHGJ-FMIVXFBMSA-N 50458278 CHEMBL578702::GNF-Pf-2242 C-X-C chemokine receptor type 4 2160 ChEMBL 10.1016/j.ejmech.2018.02.043 10.7270/Q2F76G5C 29500940 Peng, D; Cao, B; Zhou, YJ; Long, YQ Central South University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50458278 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50458278&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 5943987 433925543 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51047391 CCCN(CCC)CCCCNCc1ccc(cc1)C(=O)N(Cc1ncc[nH]1)Cc1ncc[nH]1 InChI=1S/C26H39N7O/c1-3-16-32(17-4-2)18-6-5-11-27-19-22-7-9-23(10-8-22)26(34)33(20-24-28-12-13-29-24)21-25-30-14-15-31-25/h7-10,12-15,27H,3-6,11,16-21H2,1-2H3,(H,28,29)(H,30,31) HWOVWZRCFGFMFL-UHFFFAOYSA-N 50458279 CHEMBL4206706 C-X-C chemokine receptor type 4 27 ChEMBL 10.1016/j.ejmech.2018.02.043 10.7270/Q2F76G5C 29500940 Peng, D; Cao, B; Zhou, YJ; Long, YQ Central South University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50458279 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50458279&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 11648393 433925544 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51047392 C(N1CCC(C1)Nc1nccc(n1)N1CCCCCC1)c1ccccc1 InChI=1S/C21H29N5/c1-2-7-14-26(13-6-1)20-10-12-22-21(24-20)23-19-11-15-25(17-19)16-18-8-4-3-5-9-18/h3-5,8-10,12,19H,1-2,6-7,11,13-17H2,(H,22,23,24) ITQKQTAFSZRQTM-UHFFFAOYSA-N 50458280 CHEMBL4208687 C-X-C chemokine receptor type 4 150 ChEMBL 10.1016/j.ejmech.2018.02.043 10.7270/Q2F76G5C 29500940 Peng, D; Cao, B; Zhou, YJ; Long, YQ Central South University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50458280 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50458280&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 66902958 433925545 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51047415 COc1ccc2[nH]c(CNCc3ccc(CN(CCNCc4ccccn4)CCNCc4ccccn4)cc3)nc2c1 InChI=1S/C33H40N8O/c1-42-30-12-13-31-32(20-30)40-33(39-31)24-36-21-26-8-10-27(11-9-26)25-41(18-16-34-22-28-6-2-4-14-37-28)19-17-35-23-29-7-3-5-15-38-29/h2-15,20,34-36H,16-19,21-25H2,1H3,(H,39,40) IZPOKVGJYMEIIJ-UHFFFAOYSA-N 50458281 CHEMBL4217502 C-X-C chemokine receptor type 4 <4.0 ChEMBL 10.1016/j.ejmech.2018.02.043 10.7270/Q2F76G5C 29500940 Peng, D; Cao, B; Zhou, YJ; Long, YQ Central South University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50458281 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50458281&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 11706779 433925546 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51047416 CC(C)c1ccccc1NC(=O)NCCc1ccc2CCCNc2n1 InChI=1S/C20H26N4O/c1-14(2)17-7-3-4-8-18(17)24-20(25)22-13-11-16-10-9-15-6-5-12-21-19(15)23-16/h3-4,7-10,14H,5-6,11-13H2,1-2H3,(H,21,23)(H2,22,24,25) MWRKNZBEMQTWLS-UHFFFAOYSA-N 50458282 CHEMBL4216535 C-X-C chemokine receptor type 4 800 ChEMBL 10.1016/j.ejmech.2018.02.043 10.7270/Q2F76G5C 29500940 Peng, D; Cao, B; Zhou, YJ; Long, YQ Central South University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50458282 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50458282&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 70887092 433925547 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51047417 C(CNCc1ccc(CNc2nc(NC3CCNCC3)c3ccccc3n2)cc1)CNC1CCCCC1 InChI=1S/C15H24N2O2/c1-10(18)14-7-4-8-17(14)15(19)13-9-11-5-2-3-6-12(11)16-13/h11-14,16H,2-9H2,1H3/t11-,12-,13-,14-/m0/s1 MAVMMPRQZXKLJX-XUXIUFHCSA-N 50155310 CHEMBL3779982 C-X-C chemokine receptor type 4 36 ChEMBL 10.1016/j.ejmech.2018.02.043 10.7270/Q2F76G5C 29500940 Peng, D; Cao, B; Zhou, YJ; Long, YQ Central South University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50155310 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50155310&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 56955853 104042753 CHEMBL3779982 ZINC28384874 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51047418 CN(CCc1ccccc1)C[C@@H]1CCN(CCc2c[nH]c3ccc(cc23)-n2cnnc2)C1 InChI=1S/C26H32N6/c1-30(12-9-21-5-3-2-4-6-21)17-22-10-13-31(18-22)14-11-23-16-27-26-8-7-24(15-25(23)26)32-19-28-29-20-32/h2-8,15-16,19-20,22,27H,9-14,17-18H2,1H3/t22-/m0/s1 JGYSWXUWDDXLGJ-QFIPXVFZSA-N 50458283 CHEMBL4212661 C-X-C chemokine receptor type 4 >7.0 ChEMBL 10.1016/j.ejmech.2018.02.043 10.7270/Q2F76G5C 29500940 Peng, D; Cao, B; Zhou, YJ; Long, YQ Central South University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50458283 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50458283&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 22940860 433925548 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51047462 COc1ccc(NC(=O)NCCc2ccc3CCCNc3n2)cc1OC InChI=1S/C19H24N4O3/c1-25-16-8-7-15(12-17(16)26-2)23-19(24)21-11-9-14-6-5-13-4-3-10-20-18(13)22-14/h5-8,12H,3-4,9-11H2,1-2H3,(H,20,22)(H2,21,23,24) OIIIWSLMRDPLGW-UHFFFAOYSA-N 50458284 CHEMBL4211557 C-X-C chemokine receptor type 4 680 ChEMBL 10.1016/j.ejmech.2018.02.043 10.7270/Q2F76G5C 29500940 Peng, D; Cao, B; Zhou, YJ; Long, YQ Central South University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50458284 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50458284&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 71590395 433925549 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51047463 Cn1ccc2c(NC(=O)NCCc3ccc4CCCNc4n3)cccc12 InChI=1S/C20H23N5O/c1-25-13-10-16-17(5-2-6-18(16)25)24-20(26)22-12-9-15-8-7-14-4-3-11-21-19(14)23-15/h2,5-8,10,13H,3-4,9,11-12H2,1H3,(H,21,23)(H2,22,24,26) ZCUZXRLIHICAIA-UHFFFAOYSA-N 50458285 CHEMBL4202860 C-X-C chemokine receptor type 4 400 ChEMBL 10.1016/j.ejmech.2018.02.043 10.7270/Q2F76G5C 29500940 Peng, D; Cao, B; Zhou, YJ; Long, YQ Central South University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50458285 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50458285&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 46189876 433925550 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51047464 CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 InChI=1S/C28H45N7/c1-5-16-34(17-6-2)19-8-7-18-32(3)21-25-9-11-26(12-10-25)22-35(23-27-29-13-14-30-27)24-28-31-15-20-33(28)4/h9-15,20H,5-8,16-19,21-24H2,1-4H3,(H,29,30) SHGBVICHXYKTGY-UHFFFAOYSA-N 50335557 CHEMBL1652605::N,N-dipropyl-N'-[4-({[(1H-imidazol-2-yl)methyl][(1-methyl-1H-imidazol-2-yl)methyl]amino}methyl)benzyl]-N'-methylbutane-1,4-diamine tri-(2R,3R)-tartrate C-X-C chemokine receptor type 4 0.610000 ChEMBL 10.1016/j.ejmech.2018.02.043 10.7270/Q2F76G5C 29500940 Peng, D; Cao, B; Zhou, YJ; Long, YQ Central South University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50335557 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50335557&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 11950261 125085659 CHEMBL1652605 ZINC64516270 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51047465 C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)c1ccc(CNCc2ccccn2)cc1)c1cccc2ccccc12 InChI=1S/C32H37N7O2/c1-22(27-12-6-9-24-8-2-3-11-28(24)27)38-31(41)29(13-7-19-37-32(33)34)39-30(40)25-16-14-23(15-17-25)20-35-21-26-10-4-5-18-36-26/h2-6,8-12,14-18,22,29,35H,7,13,19-21H2,1H3,(H,38,41)(H,39,40)(H4,33,34,37)/t22-,29-/m0/s1 UYMDKKVILQGGBT-ZTOMLWHTSA-N 50458286 CHEMBL2367715 C-X-C chemokine receptor type 4 13 ChEMBL 10.1016/j.ejmech.2018.02.043 10.7270/Q2F76G5C 29500940 Peng, D; Cao, B; Zhou, YJ; Long, YQ Central South University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50458286 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50458286&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 465968 433925551 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51047466 CC(C)CN1CCC2(C1)CCN(Cc1ccc(cc1)C(=O)N(Cc1ncc[nH]1)Cc1ncc[nH]1)CC2 InChI=1S/C28H39N7O/c1-22(2)17-34-16-9-28(21-34)7-14-33(15-8-28)18-23-3-5-24(6-4-23)27(36)35(19-25-29-10-11-30-25)20-26-31-12-13-32-26/h3-6,10-13,22H,7-9,14-21H2,1-2H3,(H,29,30)(H,31,32) MPWDYYRJUCIVDU-UHFFFAOYSA-N 50458287 CHEMBL4213081 C-X-C chemokine receptor type 4 15 ChEMBL 10.1016/j.ejmech.2018.02.043 10.7270/Q2F76G5C 29500940 Peng, D; Cao, B; Zhou, YJ; Long, YQ Central South University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50458287 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50458287&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 67501386 433925552 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51047468 Cc1ccsc1CN1CCC2(CCN(Cc3ccc(cc3)C(=O)N(Cc3ncc[nH]3)Cc3ncc[nH]3)C2)CC1 InChI=1S/C30H37N7OS/c1-23-6-17-39-26(23)19-35-14-7-30(8-15-35)9-16-36(22-30)18-24-2-4-25(5-3-24)29(38)37(20-27-31-10-11-32-27)21-28-33-12-13-34-28/h2-6,10-13,17H,7-9,14-16,18-22H2,1H3,(H,31,32)(H,33,34) KLDMEYWDXRXQBY-UHFFFAOYSA-N 50458288 CHEMBL4218006 C-X-C chemokine receptor type 4 11 ChEMBL 10.1016/j.ejmech.2018.02.043 10.7270/Q2F76G5C 29500940 Peng, D; Cao, B; Zhou, YJ; Long, YQ Central South University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50458288 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50458288&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 11678324 433925553 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51047488 NCCNc1nccc(n1)N1CCCCCC1 InChI=1S/C12H21N5/c13-6-8-15-12-14-7-5-11(16-12)17-9-3-1-2-4-10-17/h5,7H,1-4,6,8-10,13H2,(H,14,15,16) JCUKFHHQQDCCBU-UHFFFAOYSA-N 50458289 CHEMBL4213624 C-X-C chemokine receptor type 4 200 ChEMBL 10.1016/j.ejmech.2018.02.043 10.7270/Q2F76G5C 29500940 Peng, D; Cao, B; Zhou, YJ; Long, YQ Central South University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50458289 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50458289&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 10198583 433925554 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51047490 CC(NC[C@@H]1CCN(CCc2c[nH]c3ccc(cc23)-n2cnnc2)C1)c1ccccc1 InChI=1S/C25H30N6/c1-19(21-5-3-2-4-6-21)26-14-20-9-11-30(16-20)12-10-22-15-27-25-8-7-23(13-24(22)25)31-17-28-29-18-31/h2-8,13,15,17-20,26-27H,9-12,14,16H2,1H3/t19?,20-/m0/s1 UNPAATNKWLYEKL-ANYOKISRSA-N 50458290 CHEMBL4215051 C-X-C chemokine receptor type 4 >7.0 ChEMBL 10.1016/j.ejmech.2018.02.043 10.7270/Q2F76G5C 29500940 Peng, D; Cao, B; Zhou, YJ; Long, YQ Central South University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50458290 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50458290&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 18665182 433925555 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51047491 CC(C)Oc1ccc(cc1)-c1ccc2ccn(CC(=O)NCCN(C)C3CCCCC3)c2c1 InChI=1S/C28H37N3O2/c1-21(2)33-26-13-11-22(12-14-26)24-10-9-23-15-17-31(27(23)19-24)20-28(32)29-16-18-30(3)25-7-5-4-6-8-25/h9-15,17,19,21,25H,4-8,16,18,20H2,1-3H3,(H,29,32) OITNUYZKBYSYQC-UHFFFAOYSA-N 50458291 CHEMBL4203386 C-X-C chemokine receptor type 4 <1000 ChEMBL 10.1016/j.ejmech.2018.02.043 10.7270/Q2F76G5C 29500940 Peng, D; Cao, B; Zhou, YJ; Long, YQ Central South University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50458291 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50458291&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 25050377 433925556 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51047492 Nc1cc(nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1)N1CCNCC1 InChI=1S/C25H40N8/c26-23-17-24(33-15-13-27-14-16-33)32-25(31-23)30-19-21-9-7-20(8-10-21)18-28-11-4-12-29-22-5-2-1-3-6-22/h7-10,17,22,27-29H,1-6,11-16,18-19H2,(H3,26,30,31,32) YCHGCBUBVUTGJP-UHFFFAOYSA-N 50458292 CHEMBL4218011 C-X-C chemokine receptor type 4 <20 ChEMBL 10.1016/j.ejmech.2018.02.043 10.7270/Q2F76G5C 29500940 Peng, D; Cao, B; Zhou, YJ; Long, YQ Central South University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50458292 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50458292&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 15604176 433925557 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51047493 Nc1cc(nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1)N1CCN(CCCP(O)(O)=O)CC1 InChI=1S/C28H47N8O3P/c29-26-20-27(36-17-15-35(16-18-36)14-5-19-40(37,38)39)34-28(33-26)32-22-24-10-8-23(9-11-24)21-30-12-4-13-31-25-6-2-1-3-7-25/h8-11,20,25,30-31H,1-7,12-19,21-22H2,(H2,37,38,39)(H3,29,32,33,34) HHYVHWUYAFUNCB-UHFFFAOYSA-N 50458293 CHEMBL4205801 C-X-C chemokine receptor type 4 <20 ChEMBL 10.1016/j.ejmech.2018.02.043 10.7270/Q2F76G5C 29500940 Peng, D; Cao, B; Zhou, YJ; Long, YQ Central South University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50458293 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50458293&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 145976370 433925558 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51047494 C(CN(CCNCc1ccccn1)Cc1ccc(CNCc2nc3ccccc3[nH]2)cc1)NCc1ccccn1 InChI=1S/C32H38N8/c1-2-10-31-30(9-1)38-32(39-31)24-35-21-26-11-13-27(14-12-26)25-40(19-17-33-22-28-7-3-5-15-36-28)20-18-34-23-29-8-4-6-16-37-29/h1-16,33-35H,17-25H2,(H,38,39) ARWLJINSMDRDDX-UHFFFAOYSA-N 50458294 CHEMBL4210165 C-X-C chemokine receptor type 4 <4.0 ChEMBL 10.1016/j.ejmech.2018.02.043 10.7270/Q2F76G5C 29500940 Peng, D; Cao, B; Zhou, YJ; Long, YQ Central South University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50458294 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50458294&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 11489510 433925559 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51047495 FC(F)(F)c1ccc(NC(=S)NCCc2ccc3CCCNc3n2)cc1 InChI=1S/C18H19F3N4S/c19-18(20,21)13-4-7-14(8-5-13)25-17(26)23-11-9-15-6-3-12-2-1-10-22-16(12)24-15/h3-8H,1-2,9-11H2,(H,22,24)(H2,23,25,26) FVQYSZRSVVVOHP-UHFFFAOYSA-N 50458295 CHEMBL4207733 C-X-C chemokine receptor type 4 200 ChEMBL 10.1016/j.ejmech.2018.02.043 10.7270/Q2F76G5C 29500940 Peng, D; Cao, B; Zhou, YJ; Long, YQ Central South University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50458295 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50458295&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 71590315 433925560 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51047496 O=C(NCCc1ccc2CCCNc2n1)Nc1cccc2ccccc12 InChI=1S/C21H22N4O/c26-21(25-19-9-3-6-15-5-1-2-8-18(15)19)23-14-12-17-11-10-16-7-4-13-22-20(16)24-17/h1-3,5-6,8-11H,4,7,12-14H2,(H,22,24)(H2,23,25,26) JDDBVGPOCCSOTE-UHFFFAOYSA-N 50458296 CHEMBL4207204 C-X-C chemokine receptor type 4 600 ChEMBL 10.1016/j.ejmech.2018.02.043 10.7270/Q2F76G5C 29500940 Peng, D; Cao, B; Zhou, YJ; Long, YQ Central South University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50458296 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50458296&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 70887131 433925561 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51047497 CN1CCN(CC1)c1cc(N)nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1 InChI=1S/C26H42N8/c1-33-14-16-34(17-15-33)25-18-24(27)31-26(32-25)30-20-22-10-8-21(9-11-22)19-28-12-5-13-29-23-6-3-2-4-7-23/h8-11,18,23,28-29H,2-7,12-17,19-20H2,1H3,(H3,27,30,31,32) TYFGKHSNXGTUHE-UHFFFAOYSA-N 50458297 CHEMBL4213087 C-X-C chemokine receptor type 4 <20 ChEMBL 10.1016/j.ejmech.2018.02.043 10.7270/Q2F76G5C 29500940 Peng, D; Cao, B; Zhou, YJ; Long, YQ Central South University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50458297 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50458297&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 15604290 433925562 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51047498 CC(C)(NC[C@@H]1CCN(CCc2c[nH]c3ccc(cc23)-n2cnnc2)C1)c1ccccc1 InChI=1S/C26H32N6/c1-26(2,22-6-4-3-5-7-22)28-15-20-10-12-31(17-20)13-11-21-16-27-25-9-8-23(14-24(21)25)32-18-29-30-19-32/h3-9,14,16,18-20,27-28H,10-13,15,17H2,1-2H3/t20-/m0/s1 RKAKHLWCVBGMID-FQEVSTJZSA-N 50074178 (1-Methyl-1-phenyl-ethyl)-{(S)-1-[2-(5-[1,2,4]triazol-4-yl-1H-indol-3-yl)-ethyl]-pyrrolidin-3-ylmethyl}-amine::CHEMBL164046 C-X-C chemokine receptor type 4 >7.0 ChEMBL 10.1016/j.ejmech.2018.02.043 10.7270/Q2F76G5C 29500940 Peng, D; Cao, B; Zhou, YJ; Long, YQ Central South University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50074178 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50074178&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 10502669 103967395 CHEMBL164046 ZINC13794101 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51047861 C(Cc1ccccc1)NC[C@@H]1CCN(CCc2c[nH]c3ccc(cc23)-n2cnnc2)C1 InChI=1S/C25H30N6/c1-2-4-20(5-3-1)8-11-26-15-21-9-12-30(17-21)13-10-22-16-27-25-7-6-23(14-24(22)25)31-18-28-29-19-31/h1-7,14,16,18-19,21,26-27H,8-13,15,17H2/t21-/m0/s1 YBPOESBQEVHYKW-NRFANRHFSA-N 50074167 CHEMBL348815::Phenethyl-{(S)-1-[2-(5-[1,2,4]triazol-4-yl-1H-indol-3-yl)-ethyl]-pyrrolidin-3-ylmethyl}-amine C-X-C chemokine receptor type 4 >7.0 ChEMBL 10.1016/j.ejmech.2018.02.043 10.7270/Q2F76G5C 29500940 Peng, D; Cao, B; Zhou, YJ; Long, YQ Central South University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50074167 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50074167&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 10740531 103967384 CHEMBL348815 ZINC13794085 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51103423 CN(C[C@H]1Cc2c(CN1)cccc2N1CCN(CC1)c1ccccn1)[C@H]1CCCc2cccnc12 InChI=1S/C29H36N6/c1-33(27-11-4-7-22-9-6-14-31-29(22)27)21-24-19-25-23(20-32-24)8-5-10-26(25)34-15-17-35(18-16-34)28-12-2-3-13-30-28/h2-3,5-6,8-10,12-14,24,27,32H,4,7,11,15-21H2,1H3/t24-,27+/m1/s1 BYRBAVZUSYTLIS-SQHAQQRYSA-N 50449936 CHEMBL4169875 C-X-C chemokine receptor type 4 18 ChEMBL 10.1021/acs.jmedchem.8b00450 10.7270/Q2GH9MJ5 30052039 Nguyen, HH; Kim, MB; Wilson, RJ; Butch, CJ; Kuo, KM; Miller, EJ; Tahirovic, YA; Jecs, E; Truax, VM; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50449936 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50449936&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 145954878 433919487 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51103424 CN(C[C@H]1Cc2c(CN1)cccc2N1CCN2CCC[C@@H]2C1)[C@H]1CCCc2cccnc12 InChI=1S/C27H37N5/c1-30(26-11-2-6-20-8-4-12-28-27(20)26)18-22-16-24-21(17-29-22)7-3-10-25(24)32-15-14-31-13-5-9-23(31)19-32/h3-4,7-8,10,12,22-23,26,29H,2,5-6,9,11,13-19H2,1H3/t22-,23-,26+/m1/s1 QQPRUHDPQBQAIQ-PLXFJCCSSA-N 50449934 CHEMBL4162609 C-X-C chemokine receptor type 4 3.6 ChEMBL 10.1021/acs.jmedchem.8b00450 10.7270/Q2GH9MJ5 30052039 Nguyen, HH; Kim, MB; Wilson, RJ; Butch, CJ; Kuo, KM; Miller, EJ; Tahirovic, YA; Jecs, E; Truax, VM; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50449934 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50449934&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 145963140 433919485 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51103429 CN(C[C@H]1Cc2c(CN1)cccc2N1CCN(CC1)c1cccc(c1)C(F)(F)F)[C@H]1CCCc2cccnc12 InChI=1S/C31H36F3N5/c1-37(29-12-2-6-22-8-5-13-35-30(22)29)21-25-19-27-23(20-36-25)7-3-11-28(27)39-16-14-38(15-17-39)26-10-4-9-24(18-26)31(32,33)34/h3-5,7-11,13,18,25,29,36H,2,6,12,14-17,19-21H2,1H3/t25-,29+/m1/s1 ORWBANIGPSNUGH-IRPSRAIASA-N 50449941 CHEMBL4161949 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.8b00450 10.7270/Q2GH9MJ5 30052039 Nguyen, HH; Kim, MB; Wilson, RJ; Butch, CJ; Kuo, KM; Miller, EJ; Tahirovic, YA; Jecs, E; Truax, VM; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50449941 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50449941&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 145958698 433919492 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51103430 C[C@H]1CN(C[C@@H](C)N1C)c1cccc2CN[C@@H](CN(C)[C@H]3CCCc4cccnc34)Cc12 InChI=1S/C27H39N5/c1-19-16-32(17-20(2)31(19)4)25-11-6-9-22-15-29-23(14-24(22)25)18-30(3)26-12-5-8-21-10-7-13-28-27(21)26/h6-7,9-11,13,19-20,23,26,29H,5,8,12,14-18H2,1-4H3/t19-,20+,23-,26+/m1/s1 FCAYYYOYGBMERK-XKCHLWDXSA-N 50449942 CHEMBL4170542 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.8b00450 10.7270/Q2GH9MJ5 30052039 Nguyen, HH; Kim, MB; Wilson, RJ; Butch, CJ; Kuo, KM; Miller, EJ; Tahirovic, YA; Jecs, E; Truax, VM; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50449942 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50449942&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 145956312 433919493 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51103431 CN(C[C@H]1Cc2c(CN1C)cccc2N1CCNCC1)[C@H]1CCCc2cccnc12 InChI=1S/C25H35N5/c1-28-17-20-7-4-9-23(30-14-12-26-13-15-30)22(20)16-21(28)18-29(2)24-10-3-6-19-8-5-11-27-25(19)24/h4-5,7-9,11,21,24,26H,3,6,10,12-18H2,1-2H3/t21-,24+/m1/s1 PFWFUYAAXGHWMV-QPPBQGQZSA-N 50449943 CHEMBL4166059 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.8b00450 10.7270/Q2GH9MJ5 30052039 Nguyen, HH; Kim, MB; Wilson, RJ; Butch, CJ; Kuo, KM; Miller, EJ; Tahirovic, YA; Jecs, E; Truax, VM; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50449943 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50449943&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 145953325 433919494 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51103432 NCCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 InChI=1S/C23H32N4/c24-12-3-4-14-27(22-11-5-9-18-10-6-13-25-23(18)22)17-21-15-19-7-1-2-8-20(19)16-26-21/h1-2,6-8,10,13,21-22,26H,3-5,9,11-12,14-17,24H2/t21-,22+/m1/s1 MYCKNKHATQGHEV-YADHBBJMSA-N 50443541 CHEMBL3091687 C-X-C chemokine receptor type 4 6.3 ChEMBL 10.1021/acs.jmedchem.8b00450 10.7270/Q2GH9MJ5 30052039 Nguyen, HH; Kim, MB; Wilson, RJ; Butch, CJ; Kuo, KM; Miller, EJ; Tahirovic, YA; Jecs, E; Truax, VM; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50443541 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50443541&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 57345320 194941437 CHEMBL3091687 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51103433 CN(C[C@H]1Cc2c(CN1)cccc2N1CCNCC1)[C@H]1CCCc2cccnc12 InChI=1S/C24H33N5/c1-28(23-9-2-5-18-7-4-10-26-24(18)23)17-20-15-21-19(16-27-20)6-3-8-22(21)29-13-11-25-12-14-29/h3-4,6-8,10,20,23,25,27H,2,5,9,11-17H2,1H3/t20-,23+/m1/s1 HVYXYPWZDRWKCC-OFNKIYASSA-N 50449944 CHEMBL4172669 C-X-C chemokine receptor type 4 6.1 ChEMBL 10.1021/acs.jmedchem.8b00450 10.7270/Q2GH9MJ5 30052039 Nguyen, HH; Kim, MB; Wilson, RJ; Butch, CJ; Kuo, KM; Miller, EJ; Tahirovic, YA; Jecs, E; Truax, VM; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50449944 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50449944&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 145950976 433919495 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51103434 CN(C[C@@H]1Cc2c(CN1)cccc2N1CCNCC1)[C@H]1CCCc2cccnc12 InChI=1S/C24H33N5/c1-28(23-9-2-5-18-7-4-10-26-24(18)23)17-20-15-21-19(16-27-20)6-3-8-22(21)29-13-11-25-12-14-29/h3-4,6-8,10,20,23,25,27H,2,5,9,11-17H2,1H3/t20-,23-/m0/s1 HVYXYPWZDRWKCC-REWPJTCUSA-N 50449945 CHEMBL4162011 C-X-C chemokine receptor type 4 313 ChEMBL 10.1021/acs.jmedchem.8b00450 10.7270/Q2GH9MJ5 30052039 Nguyen, HH; Kim, MB; Wilson, RJ; Butch, CJ; Kuo, KM; Miller, EJ; Tahirovic, YA; Jecs, E; Truax, VM; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50449945 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50449945&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 145957239 433919496 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51103435 CCCN(C[C@H]1Cc2c(CN1)cccc2N1CCNCC1)[C@H]1CCCc2cccnc12 InChI=1S/C26H37N5/c1-2-14-31(25-10-3-6-20-8-5-11-28-26(20)25)19-22-17-23-21(18-29-22)7-4-9-24(23)30-15-12-27-13-16-30/h4-5,7-9,11,22,25,27,29H,2-3,6,10,12-19H2,1H3/t22-,25+/m1/s1 JUIWDKRJPDGUPN-RDGATRHJSA-N 50449946 CHEMBL4177130 C-X-C chemokine receptor type 4 32 ChEMBL 10.1021/acs.jmedchem.8b00450 10.7270/Q2GH9MJ5 30052039 Nguyen, HH; Kim, MB; Wilson, RJ; Butch, CJ; Kuo, KM; Miller, EJ; Tahirovic, YA; Jecs, E; Truax, VM; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50449946 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50449946&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 145971507 433919497 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51103436 CN(C[C@H]1Cc2c(CN1)cccc2N1CCN(CC1)c1ncccn1)[C@H]1CCCc2cccnc12 InChI=1S/C28H35N7/c1-33(26-10-2-6-21-8-4-11-29-27(21)26)20-23-18-24-22(19-32-23)7-3-9-25(24)34-14-16-35(17-15-34)28-30-12-5-13-31-28/h3-5,7-9,11-13,23,26,32H,2,6,10,14-20H2,1H3/t23-,26+/m1/s1 SBWDNXAOTCMVAA-BVAGGSTKSA-N 50449933 CHEMBL4167145 C-X-C chemokine receptor type 4 31 ChEMBL 10.1021/acs.jmedchem.8b00450 10.7270/Q2GH9MJ5 30052039 Nguyen, HH; Kim, MB; Wilson, RJ; Butch, CJ; Kuo, KM; Miller, EJ; Tahirovic, YA; Jecs, E; Truax, VM; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50449933 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50449933&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 145952723 433919484 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51103437 CN(C[C@H]1Cc2c(CN1)cccc2N1CCN(Cc2ccccn2)CC1)[C@H]1CCCc2cccnc12 InChI=1S/C30H38N6/c1-34(29-12-4-7-23-9-6-14-32-30(23)29)21-26-19-27-24(20-33-26)8-5-11-28(27)36-17-15-35(16-18-36)22-25-10-2-3-13-31-25/h2-3,5-6,8-11,13-14,26,29,33H,4,7,12,15-22H2,1H3/t26-,29+/m1/s1 LBZXHERSMUUNEG-UHSQPCAPSA-N 50449947 CHEMBL4159234 C-X-C chemokine receptor type 4 4.5 ChEMBL 10.1021/acs.jmedchem.8b00450 10.7270/Q2GH9MJ5 30052039 Nguyen, HH; Kim, MB; Wilson, RJ; Butch, CJ; Kuo, KM; Miller, EJ; Tahirovic, YA; Jecs, E; Truax, VM; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50449947 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50449947&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 145957599 433919498 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51103438 C[C@H]1CN(C[C@@H](C)N1C)c1cccc2CN[C@@H](CN(C)[C@H]3CCCc4cccnc34)Cc12 InChI=1S/C27H39N5/c1-19-16-32(17-20(2)31(19)4)25-11-6-9-22-15-29-23(14-24(22)25)18-30(3)26-12-5-8-21-10-7-13-28-27(21)26/h6-7,9-11,13,19-20,23,26,29H,5,8,12,14-18H2,1-4H3/t19-,20+,23-,26+/m1/s1 FCAYYYOYGBMERK-XKCHLWDXSA-N 50449942 CHEMBL4170542 C-X-C chemokine receptor type 4 14 ChEMBL 10.1021/acs.jmedchem.8b00450 10.7270/Q2GH9MJ5 30052039 Nguyen, HH; Kim, MB; Wilson, RJ; Butch, CJ; Kuo, KM; Miller, EJ; Tahirovic, YA; Jecs, E; Truax, VM; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50449942 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50449942&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 145956312 433919493 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51103439 CN(C[C@H]1Cc2c(CN1)cccc2N1CCN2CCC[C@H]2C1)[C@H]1CCCc2cccnc12 InChI=1S/C27H37N5/c1-30(26-11-2-6-20-8-4-12-28-27(20)26)18-22-16-24-21(17-29-22)7-3-10-25(24)32-15-14-31-13-5-9-23(31)19-32/h3-4,7-8,10,12,22-23,26,29H,2,5-6,9,11,13-19H2,1H3/t22-,23+,26+/m1/s1 QQPRUHDPQBQAIQ-UMFSSWHCSA-N 50449948 CHEMBL4173977 C-X-C chemokine receptor type 4 2.9 ChEMBL 10.1021/acs.jmedchem.8b00450 10.7270/Q2GH9MJ5 30052039 Nguyen, HH; Kim, MB; Wilson, RJ; Butch, CJ; Kuo, KM; Miller, EJ; Tahirovic, YA; Jecs, E; Truax, VM; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50449948 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50449948&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 145951236 433919499 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51103440 CN(C[C@H]1Cc2c(CN1C)cccc2N1CCNCC1)[C@H]1CCCc2cccnc12 InChI=1S/C25H35N5/c1-28-17-20-7-4-9-23(30-14-12-26-13-15-30)22(20)16-21(28)18-29(2)24-10-3-6-19-8-5-11-27-25(19)24/h4-5,7-9,11,21,24,26H,3,6,10,12-18H2,1-2H3/t21-,24+/m1/s1 PFWFUYAAXGHWMV-QPPBQGQZSA-N 50449943 CHEMBL4166059 C-X-C chemokine receptor type 4 32 ChEMBL 10.1021/acs.jmedchem.8b00450 10.7270/Q2GH9MJ5 30052039 Nguyen, HH; Kim, MB; Wilson, RJ; Butch, CJ; Kuo, KM; Miller, EJ; Tahirovic, YA; Jecs, E; Truax, VM; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50449943 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50449943&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 145953325 433919494 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51103441 CN(C[C@H]1Cc2c(CN1C)cccc2N1CCN(C)CC1)[C@H]1CCCc2cccnc12 InChI=1S/C26H37N5/c1-28-13-15-31(16-14-28)24-10-5-8-21-18-29(2)22(17-23(21)24)19-30(3)25-11-4-7-20-9-6-12-27-26(20)25/h5-6,8-10,12,22,25H,4,7,11,13-19H2,1-3H3/t22-,25+/m1/s1 ZMLOIDIAUZDVQK-RDGATRHJSA-N 50449937 CHEMBL4177338 C-X-C chemokine receptor type 4 171 ChEMBL 10.1021/acs.jmedchem.8b00450 10.7270/Q2GH9MJ5 30052039 Nguyen, HH; Kim, MB; Wilson, RJ; Butch, CJ; Kuo, KM; Miller, EJ; Tahirovic, YA; Jecs, E; Truax, VM; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50449937 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50449937&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 142416740 433919488 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51103449 C(C1CC1)N(C[C@H]1Cc2c(CN1)cccc2N1CCNCC1)[C@H]1CCCc2cccnc12 InChI=1S/C27H37N5/c1-4-21-6-3-11-29-27(21)26(8-1)32(18-20-9-10-20)19-23-16-24-22(17-30-23)5-2-7-25(24)31-14-12-28-13-15-31/h2-3,5-7,11,20,23,26,28,30H,1,4,8-10,12-19H2/t23-,26+/m1/s1 LVRJXLFKEYVIDK-BVAGGSTKSA-N 50449949 CHEMBL4165854 C-X-C chemokine receptor type 4 27 ChEMBL 10.1021/acs.jmedchem.8b00450 10.7270/Q2GH9MJ5 30052039 Nguyen, HH; Kim, MB; Wilson, RJ; Butch, CJ; Kuo, KM; Miller, EJ; Tahirovic, YA; Jecs, E; Truax, VM; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50449949 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50449949&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 145955884 433919500 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51103450 CC(C)N(C[C@H]1Cc2c(CN1)cccc2N1CCNCC1)[C@H]1CCCc2cccnc12 InChI=1S/C26H37N5/c1-19(2)31(25-10-3-6-20-8-5-11-28-26(20)25)18-22-16-23-21(17-29-22)7-4-9-24(23)30-14-12-27-13-15-30/h4-5,7-9,11,19,22,25,27,29H,3,6,10,12-18H2,1-2H3/t22-,25+/m1/s1 MOEVWTMNJQTKGX-RDGATRHJSA-N 50449950 CHEMBL4173777 C-X-C chemokine receptor type 4 364 ChEMBL 10.1021/acs.jmedchem.8b00450 10.7270/Q2GH9MJ5 30052039 Nguyen, HH; Kim, MB; Wilson, RJ; Butch, CJ; Kuo, KM; Miller, EJ; Tahirovic, YA; Jecs, E; Truax, VM; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50449950 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50449950&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 145949949 433919501 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51103451 FC1(F)CCC(CN(C[C@H]2Cc3c(CN2)cccc3N2CCNCC2)[C@H]2CCCc3cccnc23)CC1 InChI=1S/C30H41F2N5/c31-30(32)11-9-22(10-12-30)20-37(28-8-1-4-23-6-3-13-34-29(23)28)21-25-18-26-24(19-35-25)5-2-7-27(26)36-16-14-33-15-17-36/h2-3,5-7,13,22,25,28,33,35H,1,4,8-12,14-21H2/t25-,28+/m1/s1 BOKACOBDBAIIFX-NAKRPHOHSA-N 50449951 CHEMBL4168418 C-X-C chemokine receptor type 4 498 ChEMBL 10.1021/acs.jmedchem.8b00450 10.7270/Q2GH9MJ5 30052039 Nguyen, HH; Kim, MB; Wilson, RJ; Butch, CJ; Kuo, KM; Miller, EJ; Tahirovic, YA; Jecs, E; Truax, VM; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50449951 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50449951&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 145955745 433919502 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51103452 OCCN(C[C@H]1Cc2c(CN1)cccc2N1CCNCC1)[C@H]1CCCc2cccnc12 InChI=1S/C25H35N5O/c31-15-14-30(24-8-1-4-19-6-3-9-27-25(19)24)18-21-16-22-20(17-28-21)5-2-7-23(22)29-12-10-26-11-13-29/h2-3,5-7,9,21,24,26,28,31H,1,4,8,10-18H2/t21-,24+/m1/s1 SIHICXDUEJZQEF-QPPBQGQZSA-N 50449952 CHEMBL4172898 C-X-C chemokine receptor type 4 195 ChEMBL 10.1021/acs.jmedchem.8b00450 10.7270/Q2GH9MJ5 30052039 Nguyen, HH; Kim, MB; Wilson, RJ; Butch, CJ; Kuo, KM; Miller, EJ; Tahirovic, YA; Jecs, E; Truax, VM; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50449952 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50449952&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 145949907 433919503 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51103453 CN(C[C@H]1Cc2c(CN1)cccc2N1CCNCC1)Cc1ncccc1C InChI=1S/C22H31N5/c1-17-5-4-8-24-21(17)16-26(2)15-19-13-20-18(14-25-19)6-3-7-22(20)27-11-9-23-10-12-27/h3-8,19,23,25H,9-16H2,1-2H3/t19-/m1/s1 PVNIDCOYVLXXDG-LJQANCHMSA-N 50449953 CHEMBL4169504 C-X-C chemokine receptor type 4 91 ChEMBL 10.1021/acs.jmedchem.8b00450 10.7270/Q2GH9MJ5 30052039 Nguyen, HH; Kim, MB; Wilson, RJ; Butch, CJ; Kuo, KM; Miller, EJ; Tahirovic, YA; Jecs, E; Truax, VM; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50449953 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50449953&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 135314107 433919504 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51103454 CN(C[C@H]1Cc2c(CN1)cccc2N1CCNCC1)Cc1ncc(C)cc1C InChI=1S/C23H33N5/c1-17-11-18(2)22(26-13-17)16-27(3)15-20-12-21-19(14-25-20)5-4-6-23(21)28-9-7-24-8-10-28/h4-6,11,13,20,24-25H,7-10,12,14-16H2,1-3H3/t20-/m1/s1 GRVWFKIPLRTIDL-HXUWFJFHSA-N 50449954 CHEMBL4161589 C-X-C chemokine receptor type 4 21 ChEMBL 10.1021/acs.jmedchem.8b00450 10.7270/Q2GH9MJ5 30052039 Nguyen, HH; Kim, MB; Wilson, RJ; Butch, CJ; Kuo, KM; Miller, EJ; Tahirovic, YA; Jecs, E; Truax, VM; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50449954 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50449954&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 135314108 433919505 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51103455 CN(C[C@H]1Cc2c(CN1)cccc2N1CCNCC1)Cc1ccc(C)cn1 InChI=1S/C22H31N5/c1-17-6-7-19(24-13-17)15-26(2)16-20-12-21-18(14-25-20)4-3-5-22(21)27-10-8-23-9-11-27/h3-7,13,20,23,25H,8-12,14-16H2,1-2H3/t20-/m1/s1 RULCBINUQVNOQP-HXUWFJFHSA-N 50449955 CHEMBL4166081 C-X-C chemokine receptor type 4 510 ChEMBL 10.1021/acs.jmedchem.8b00450 10.7270/Q2GH9MJ5 30052039 Nguyen, HH; Kim, MB; Wilson, RJ; Butch, CJ; Kuo, KM; Miller, EJ; Tahirovic, YA; Jecs, E; Truax, VM; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50449955 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50449955&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 135314362 433919506 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51103456 CN1CCN(CC1)c1cccc2CN[C@@H](CN3CCC[C@H]4CCc5cccnc5[C@@H]34)Cc12 InChI=1S/C27H37N5/c1-30-13-15-31(16-14-30)25-8-2-5-22-18-29-23(17-24(22)25)19-32-12-4-7-21-10-9-20-6-3-11-28-26(20)27(21)32/h2-3,5-6,8,11,21,23,27,29H,4,7,9-10,12-19H2,1H3/t21-,23+,27-/m0/s1 XIFOVNBYXGVAQJ-AIUHUKMKSA-N 50449956 CHEMBL4171365 C-X-C chemokine receptor type 4 25 ChEMBL 10.1021/acs.jmedchem.8b00450 10.7270/Q2GH9MJ5 30052039 Nguyen, HH; Kim, MB; Wilson, RJ; Butch, CJ; Kuo, KM; Miller, EJ; Tahirovic, YA; Jecs, E; Truax, VM; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50449956 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50449956&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 135313730 433919507 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51103457 CN(C[C@H]1Cc2c(CN1)cccc2N1C[C@H]2C[C@@H]1CN2)[C@H]1CCCc2cccnc12 InChI=1S/C25H33N5/c1-29(24-9-2-5-17-7-4-10-26-25(17)24)15-20-12-22-18(13-27-20)6-3-8-23(22)30-16-19-11-21(30)14-28-19/h3-4,6-8,10,19-21,24,27-28H,2,5,9,11-16H2,1H3/t19-,20-,21-,24+/m1/s1 FUIQAGUAFJESOC-CTVDGRRTSA-N 50449957 CHEMBL4163467 C-X-C chemokine receptor type 4 21 ChEMBL 10.1021/acs.jmedchem.8b00450 10.7270/Q2GH9MJ5 30052039 Nguyen, HH; Kim, MB; Wilson, RJ; Butch, CJ; Kuo, KM; Miller, EJ; Tahirovic, YA; Jecs, E; Truax, VM; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50449957 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50449957&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 145960247 433919508 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51103458 CN(C[C@H]1Cc2c(CN1)cccc2N1C[C@@H]2C[C@H]1CN2)[C@H]1CCCc2cccnc12 InChI=1S/C25H33N5/c1-29(24-9-2-5-17-7-4-10-26-25(17)24)15-20-12-22-18(13-27-20)6-3-8-23(22)30-16-19-11-21(30)14-28-19/h3-4,6-8,10,19-21,24,27-28H,2,5,9,11-16H2,1H3/t19-,20+,21-,24-/m0/s1 FUIQAGUAFJESOC-XARGGIHNSA-N 50449958 CHEMBL4175596 C-X-C chemokine receptor type 4 146 ChEMBL 10.1021/acs.jmedchem.8b00450 10.7270/Q2GH9MJ5 30052039 Nguyen, HH; Kim, MB; Wilson, RJ; Butch, CJ; Kuo, KM; Miller, EJ; Tahirovic, YA; Jecs, E; Truax, VM; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50449958 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50449958&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 145973345 433919509 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51103459 CN(C[C@H]1Cc2c(CN1)cccc2N1CCNC(C)(C)C1)[C@H]1CCCc2cccnc12 InChI=1S/C26H37N5/c1-26(2)18-31(14-13-29-26)23-10-5-8-20-16-28-21(15-22(20)23)17-30(3)24-11-4-7-19-9-6-12-27-25(19)24/h5-6,8-10,12,21,24,28-29H,4,7,11,13-18H2,1-3H3/t21-,24+/m1/s1 PVMUMRMBUONXEY-QPPBQGQZSA-N 50449959 CHEMBL4164970 C-X-C chemokine receptor type 4 34 ChEMBL 10.1021/acs.jmedchem.8b00450 10.7270/Q2GH9MJ5 30052039 Nguyen, HH; Kim, MB; Wilson, RJ; Butch, CJ; Kuo, KM; Miller, EJ; Tahirovic, YA; Jecs, E; Truax, VM; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50449959 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50449959&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 145960079 433919510 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51103460 C[C@H]1CN(C[C@@H](C)N1)c1cccc2CN[C@@H](CN(C)[C@H]3CCCc4cccnc34)Cc12 InChI=1S/C26H37N5/c1-18-15-31(16-19(2)29-18)24-10-5-8-21-14-28-22(13-23(21)24)17-30(3)25-11-4-7-20-9-6-12-27-26(20)25/h5-6,8-10,12,18-19,22,25,28-29H,4,7,11,13-17H2,1-3H3/t18-,19+,22-,25+/m1/s1 JHHVTZUPBAYGDQ-ZHJWVTAZSA-N 50449931 CHEMBL4160496 C-X-C chemokine receptor type 4 61 ChEMBL 10.1021/acs.jmedchem.8b00450 10.7270/Q2GH9MJ5 30052039 Nguyen, HH; Kim, MB; Wilson, RJ; Butch, CJ; Kuo, KM; Miller, EJ; Tahirovic, YA; Jecs, E; Truax, VM; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50449931 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50449931&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 145959142 433919482 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51103461 CN(C[C@H]1Cc2c(CN1)cccc2N1CCN(C)CC1)[C@H]1CCCc2cccnc12 InChI=1S/C25H35N5/c1-28-12-14-30(15-13-28)23-9-4-7-20-17-27-21(16-22(20)23)18-29(2)24-10-3-6-19-8-5-11-26-25(19)24/h4-5,7-9,11,21,24,27H,3,6,10,12-18H2,1-2H3/t21-,24+/m1/s1 VQKPLQVBEMYPHE-QPPBQGQZSA-N 50449960 CHEMBL4168391 C-X-C chemokine receptor type 4 30 ChEMBL 10.1021/acs.jmedchem.8b00450 10.7270/Q2GH9MJ5 30052039 Nguyen, HH; Kim, MB; Wilson, RJ; Butch, CJ; Kuo, KM; Miller, EJ; Tahirovic, YA; Jecs, E; Truax, VM; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50449960 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50449960&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 145954818 433919511 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51103462 CCN1CCN(CC1)c1cccc2CN[C@@H](CN(C)[C@H]3CCCc4cccnc34)Cc12 InChI=1S/C26H37N5/c1-3-30-13-15-31(16-14-30)24-10-5-8-21-18-28-22(17-23(21)24)19-29(2)25-11-4-7-20-9-6-12-27-26(20)25/h5-6,8-10,12,22,25,28H,3-4,7,11,13-19H2,1-2H3/t22-,25+/m1/s1 YUMNREPPCIMPKZ-RDGATRHJSA-N 50449961 CHEMBL4163874 C-X-C chemokine receptor type 4 14 ChEMBL 10.1021/acs.jmedchem.8b00450 10.7270/Q2GH9MJ5 30052039 Nguyen, HH; Kim, MB; Wilson, RJ; Butch, CJ; Kuo, KM; Miller, EJ; Tahirovic, YA; Jecs, E; Truax, VM; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50449961 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50449961&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 145957553 433919512 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51103463 CC(C)N1CCN(CC1)c1cccc2CN[C@@H](CN(C)[C@H]3CCCc4cccnc34)Cc12 InChI=1S/C27H39N5/c1-20(2)31-13-15-32(16-14-31)25-10-5-8-22-18-29-23(17-24(22)25)19-30(3)26-11-4-7-21-9-6-12-28-27(21)26/h5-6,8-10,12,20,23,26,29H,4,7,11,13-19H2,1-3H3/t23-,26+/m1/s1 OQKZJISBGZLPGQ-BVAGGSTKSA-N 50449935 CHEMBL4171755 C-X-C chemokine receptor type 4 17 ChEMBL 10.1021/acs.jmedchem.8b00450 10.7270/Q2GH9MJ5 30052039 Nguyen, HH; Kim, MB; Wilson, RJ; Butch, CJ; Kuo, KM; Miller, EJ; Tahirovic, YA; Jecs, E; Truax, VM; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50449935 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50449935&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 145950510 433919486 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51103464 CN(C[C@H]1Cc2c(CN1)cccc2N1CCN(CC1)C1CC1)[C@H]1CCCc2cccnc12 InChI=1S/C27H37N5/c1-30(26-9-2-5-20-7-4-12-28-27(20)26)19-22-17-24-21(18-29-22)6-3-8-25(24)32-15-13-31(14-16-32)23-10-11-23/h3-4,6-8,12,22-23,26,29H,2,5,9-11,13-19H2,1H3/t22-,26+/m1/s1 FGBKVLILEJEKEB-GJZUVCINSA-N 50449932 CHEMBL4167324 C-X-C chemokine receptor type 4 24 ChEMBL 10.1021/acs.jmedchem.8b00450 10.7270/Q2GH9MJ5 30052039 Nguyen, HH; Kim, MB; Wilson, RJ; Butch, CJ; Kuo, KM; Miller, EJ; Tahirovic, YA; Jecs, E; Truax, VM; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50449932 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50449932&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 145953177 433919483 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51103465 CN(C[C@H]1Cc2c(CN1)cccc2N1CCN(CC1)C1COC1)[C@H]1CCCc2cccnc12 InChI=1S/C27H37N5O/c1-30(26-9-2-5-20-7-4-10-28-27(20)26)17-22-15-24-21(16-29-22)6-3-8-25(24)32-13-11-31(12-14-32)23-18-33-19-23/h3-4,6-8,10,22-23,26,29H,2,5,9,11-19H2,1H3/t22-,26+/m1/s1 PCBQJZTYHMSROB-GJZUVCINSA-N 50449962 CHEMBL4175201 C-X-C chemokine receptor type 4 381 ChEMBL 10.1021/acs.jmedchem.8b00450 10.7270/Q2GH9MJ5 30052039 Nguyen, HH; Kim, MB; Wilson, RJ; Butch, CJ; Kuo, KM; Miller, EJ; Tahirovic, YA; Jecs, E; Truax, VM; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50449962 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50449962&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 142416935 433919513 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51103466 CN(C[C@H]1Cc2c(CN1)cccc2N1CCN(CC1)c1cccc(c1)C(F)(F)F)[C@H]1CCCc2cccnc12 InChI=1S/C31H36F3N5/c1-37(29-12-2-6-22-8-5-13-35-30(22)29)21-25-19-27-23(20-36-25)7-3-11-28(27)39-16-14-38(15-17-39)26-10-4-9-24(18-26)31(32,33)34/h3-5,7-11,13,18,25,29,36H,2,6,12,14-17,19-21H2,1H3/t25-,29+/m1/s1 ORWBANIGPSNUGH-IRPSRAIASA-N 50449941 CHEMBL4161949 C-X-C chemokine receptor type 4 >16700 ChEMBL 10.1021/acs.jmedchem.8b00450 10.7270/Q2GH9MJ5 30052039 Nguyen, HH; Kim, MB; Wilson, RJ; Butch, CJ; Kuo, KM; Miller, EJ; Tahirovic, YA; Jecs, E; Truax, VM; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50449941 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50449941&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 145958698 433919492 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51101303 O=C(N1CCC(CC1)NCc1ccccc1)c1ccc(nc1)-n1cccn1 InChI=1S/C21H23N5O/c27-21(18-7-8-20(23-16-18)26-12-4-11-24-26)25-13-9-19(10-14-25)22-15-17-5-2-1-3-6-17/h1-8,11-12,16,19,22H,9-10,13-15H2 UUIXRNNUJAHBIS-UHFFFAOYSA-N 50406876 CHEMBL4176060 C-X-C chemokine receptor type 4 5888 ChEMBL 10.1016/j.ejmech.2018.05.013 10.7270/Q2NC63RP 29777988 Kolarič, A; Švajger, U; Tomašič, T; Brox, R; Frank, T; Minovski, N; Tschammer, N; Anderluh, M University of Ljubljana http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50406876 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50406876&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 145972431 163355900 ZINC13832468 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51101304 O=C(NCCCNc1ccccc1)c1ccc(nc1)-n1cccn1 InChI=1S/C18H19N5O/c24-18(20-11-4-10-19-16-6-2-1-3-7-16)15-8-9-17(21-14-15)23-13-5-12-22-23/h1-3,5-9,12-14,19H,4,10-11H2,(H,20,24) WGWHGVPJJMTEPO-UHFFFAOYSA-N 50406877 CHEMBL4164659 C-X-C chemokine receptor type 4 9550 ChEMBL 10.1016/j.ejmech.2018.05.013 10.7270/Q2NC63RP 29777988 Kolarič, A; Švajger, U; Tomašič, T; Brox, R; Frank, T; Minovski, N; Tschammer, N; Anderluh, M University of Ljubljana http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50406877 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50406877&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 145958083 163355901 ZINC13832419 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51103544 CN(C[C@H]1Cc2c(CN1)cccc2N1CCNCC1)[C@H]1CCCc2cccnc12 InChI=1S/C24H33N5/c1-28(23-9-2-5-18-7-4-10-26-24(18)23)17-20-15-21-19(16-27-20)6-3-8-22(21)29-13-11-25-12-14-29/h3-4,6-8,10,20,23,25,27H,2,5,9,11-17H2,1H3/t20-,23+/m1/s1 HVYXYPWZDRWKCC-OFNKIYASSA-N 50449944 CHEMBL4172669 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.8b00450 10.7270/Q2GH9MJ5 30052039 Nguyen, HH; Kim, MB; Wilson, RJ; Butch, CJ; Kuo, KM; Miller, EJ; Tahirovic, YA; Jecs, E; Truax, VM; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50449944 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50449944&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 145950976 433919495 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51103545 CN(C[C@@H]1Cc2c(CN1)cccc2N1CCNCC1)[C@H]1CCCc2cccnc12 InChI=1S/C24H33N5/c1-28(23-9-2-5-18-7-4-10-26-24(18)23)17-20-15-21-19(16-27-20)6-3-8-22(21)29-13-11-25-12-14-29/h3-4,6-8,10,20,23,25,27H,2,5,9,11-17H2,1H3/t20-,23-/m0/s1 HVYXYPWZDRWKCC-REWPJTCUSA-N 50449945 CHEMBL4162011 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.8b00450 10.7270/Q2GH9MJ5 30052039 Nguyen, HH; Kim, MB; Wilson, RJ; Butch, CJ; Kuo, KM; Miller, EJ; Tahirovic, YA; Jecs, E; Truax, VM; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50449945 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50449945&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 145957239 433919496 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51103546 CCN(C[C@H]1Cc2c(CN1)cccc2N1CCNCC1)[C@H]1CCCc2cccnc12 InChI=1S/C25H35N5/c1-2-29(24-10-3-6-19-8-5-11-27-25(19)24)18-21-16-22-20(17-28-21)7-4-9-23(22)30-14-12-26-13-15-30/h4-5,7-9,11,21,24,26,28H,2-3,6,10,12-18H2,1H3/t21-,24+/m1/s1 SIXBBSBNDNEWTQ-QPPBQGQZSA-N 50449938 CHEMBL4169280 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.8b00450 10.7270/Q2GH9MJ5 30052039 Nguyen, HH; Kim, MB; Wilson, RJ; Butch, CJ; Kuo, KM; Miller, EJ; Tahirovic, YA; Jecs, E; Truax, VM; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50449938 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50449938&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 145953040 433919489 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51103547 CCCN(C[C@H]1Cc2c(CN1)cccc2N1CCNCC1)[C@H]1CCCc2cccnc12 InChI=1S/C26H37N5/c1-2-14-31(25-10-3-6-20-8-5-11-28-26(20)25)19-22-17-23-21(18-29-22)7-4-9-24(23)30-15-12-27-13-16-30/h4-5,7-9,11,22,25,27,29H,2-3,6,10,12-19H2,1H3/t22-,25+/m1/s1 JUIWDKRJPDGUPN-RDGATRHJSA-N 50449946 CHEMBL4177130 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.8b00450 10.7270/Q2GH9MJ5 30052039 Nguyen, HH; Kim, MB; Wilson, RJ; Butch, CJ; Kuo, KM; Miller, EJ; Tahirovic, YA; Jecs, E; Truax, VM; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50449946 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50449946&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 145971507 433919497 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51103548 C(C1CC1)N(C[C@H]1Cc2c(CN1)cccc2N1CCNCC1)[C@H]1CCCc2cccnc12 InChI=1S/C27H37N5/c1-4-21-6-3-11-29-27(21)26(8-1)32(18-20-9-10-20)19-23-16-24-22(17-30-23)5-2-7-25(24)31-14-12-28-13-15-31/h2-3,5-7,11,20,23,26,28,30H,1,4,8-10,12-19H2/t23-,26+/m1/s1 LVRJXLFKEYVIDK-BVAGGSTKSA-N 50449949 CHEMBL4165854 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.8b00450 10.7270/Q2GH9MJ5 30052039 Nguyen, HH; Kim, MB; Wilson, RJ; Butch, CJ; Kuo, KM; Miller, EJ; Tahirovic, YA; Jecs, E; Truax, VM; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50449949 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50449949&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 145955884 433919500 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51103549 CC(C)N(C[C@H]1Cc2c(CN1)cccc2N1CCNCC1)[C@H]1CCCc2cccnc12 InChI=1S/C26H37N5/c1-19(2)31(25-10-3-6-20-8-5-11-28-26(20)25)18-22-16-23-21(17-29-22)7-4-9-24(23)30-14-12-27-13-15-30/h4-5,7-9,11,19,22,25,27,29H,3,6,10,12-18H2,1-2H3/t22-,25+/m1/s1 MOEVWTMNJQTKGX-RDGATRHJSA-N 50449950 CHEMBL4173777 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.8b00450 10.7270/Q2GH9MJ5 30052039 Nguyen, HH; Kim, MB; Wilson, RJ; Butch, CJ; Kuo, KM; Miller, EJ; Tahirovic, YA; Jecs, E; Truax, VM; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50449950 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50449950&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 145949949 433919501 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51103550 C(C1CCCCC1)N(C[C@H]1Cc2c(CN1)cccc2N1CCNCC1)[C@H]1CCCc2cccnc12 InChI=1S/C30H43N5/c1-2-7-23(8-3-1)21-35(29-13-4-9-24-11-6-14-32-30(24)29)22-26-19-27-25(20-33-26)10-5-12-28(27)34-17-15-31-16-18-34/h5-6,10-12,14,23,26,29,31,33H,1-4,7-9,13,15-22H2/t26-,29+/m1/s1 RNLVYINGLBPILI-UHSQPCAPSA-N 50449939 CHEMBL4176285 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.8b00450 10.7270/Q2GH9MJ5 30052039 Nguyen, HH; Kim, MB; Wilson, RJ; Butch, CJ; Kuo, KM; Miller, EJ; Tahirovic, YA; Jecs, E; Truax, VM; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50449939 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50449939&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 145973146 433919490 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51103551 FC1(F)CCC(CN(C[C@H]2Cc3c(CN2)cccc3N2CCNCC2)[C@H]2CCCc3cccnc23)CC1 InChI=1S/C30H41F2N5/c31-30(32)11-9-22(10-12-30)20-37(28-8-1-4-23-6-3-13-34-29(23)28)21-25-18-26-24(19-35-25)5-2-7-27(26)36-16-14-33-15-17-36/h2-3,5-7,13,22,25,28,33,35H,1,4,8-12,14-21H2/t25-,28+/m1/s1 BOKACOBDBAIIFX-NAKRPHOHSA-N 50449951 CHEMBL4168418 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.8b00450 10.7270/Q2GH9MJ5 30052039 Nguyen, HH; Kim, MB; Wilson, RJ; Butch, CJ; Kuo, KM; Miller, EJ; Tahirovic, YA; Jecs, E; Truax, VM; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50449951 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50449951&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 145955745 433919502 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51103552 OCCN(C[C@H]1Cc2c(CN1)cccc2N1CCNCC1)[C@H]1CCCc2cccnc12 InChI=1S/C25H35N5O/c31-15-14-30(24-8-1-4-19-6-3-9-27-25(19)24)18-21-16-22-20(17-28-21)5-2-7-23(22)29-12-10-26-11-13-29/h2-3,5-7,9,21,24,26,28,31H,1,4,8,10-18H2/t21-,24+/m1/s1 SIHICXDUEJZQEF-QPPBQGQZSA-N 50449952 CHEMBL4172898 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.8b00450 10.7270/Q2GH9MJ5 30052039 Nguyen, HH; Kim, MB; Wilson, RJ; Butch, CJ; Kuo, KM; Miller, EJ; Tahirovic, YA; Jecs, E; Truax, VM; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50449952 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50449952&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 145949907 433919503 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51103553 COCCN(C[C@H]1Cc2c(CN1)cccc2N1CCNCC1)[C@H]1CCCc2cccnc12 InChI=1S/C26H37N5O/c1-32-16-15-31(25-9-2-5-20-7-4-10-28-26(20)25)19-22-17-23-21(18-29-22)6-3-8-24(23)30-13-11-27-12-14-30/h3-4,6-8,10,22,25,27,29H,2,5,9,11-19H2,1H3/t22-,25+/m1/s1 BCNCPSDKLRPTET-RDGATRHJSA-N 50449940 CHEMBL4176403 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.8b00450 10.7270/Q2GH9MJ5 30052039 Nguyen, HH; Kim, MB; Wilson, RJ; Butch, CJ; Kuo, KM; Miller, EJ; Tahirovic, YA; Jecs, E; Truax, VM; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50449940 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50449940&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 145974080 433919491 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51103554 CN(C[C@H]1Cc2c(CN1)cccc2N1CCNCC1)Cc1ncccc1C InChI=1S/C22H31N5/c1-17-5-4-8-24-21(17)16-26(2)15-19-13-20-18(14-25-19)6-3-7-22(20)27-11-9-23-10-12-27/h3-8,19,23,25H,9-16H2,1-2H3/t19-/m1/s1 PVNIDCOYVLXXDG-LJQANCHMSA-N 50449953 CHEMBL4169504 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.8b00450 10.7270/Q2GH9MJ5 30052039 Nguyen, HH; Kim, MB; Wilson, RJ; Butch, CJ; Kuo, KM; Miller, EJ; Tahirovic, YA; Jecs, E; Truax, VM; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50449953 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50449953&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 135314107 433919504 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51103555 CN(C[C@H]1Cc2c(CN1)cccc2N1CCNCC1)Cc1ncc(C)cc1C InChI=1S/C23H33N5/c1-17-11-18(2)22(26-13-17)16-27(3)15-20-12-21-19(14-25-20)5-4-6-23(21)28-9-7-24-8-10-28/h4-6,11,13,20,24-25H,7-10,12,14-16H2,1-3H3/t20-/m1/s1 GRVWFKIPLRTIDL-HXUWFJFHSA-N 50449954 CHEMBL4161589 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.8b00450 10.7270/Q2GH9MJ5 30052039 Nguyen, HH; Kim, MB; Wilson, RJ; Butch, CJ; Kuo, KM; Miller, EJ; Tahirovic, YA; Jecs, E; Truax, VM; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50449954 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50449954&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 135314108 433919505 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51103556 CN(C[C@H]1Cc2c(CN1)cccc2N1CCNCC1)Cc1ccc(C)cn1 InChI=1S/C22H31N5/c1-17-6-7-19(24-13-17)15-26(2)16-20-12-21-18(14-25-20)4-3-5-22(21)27-10-8-23-9-11-27/h3-7,13,20,23,25H,8-12,14-16H2,1-2H3/t20-/m1/s1 RULCBINUQVNOQP-HXUWFJFHSA-N 50449955 CHEMBL4166081 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.8b00450 10.7270/Q2GH9MJ5 30052039 Nguyen, HH; Kim, MB; Wilson, RJ; Butch, CJ; Kuo, KM; Miller, EJ; Tahirovic, YA; Jecs, E; Truax, VM; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50449955 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50449955&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 135314362 433919506 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51103557 CN(C[C@H]1Cc2c(CN1)cccc2N1CCNCC1)[C@H]1CCCc2cc(C)cnc12 InChI=1S/C25H35N5/c1-18-13-19-5-3-8-24(25(19)28-15-18)29(2)17-21-14-22-20(16-27-21)6-4-7-23(22)30-11-9-26-10-12-30/h4,6-7,13,15,21,24,26-27H,3,5,8-12,14,16-17H2,1-2H3/t21-,24+/m1/s1 RSENRXMUUIGFKE-QPPBQGQZSA-N 50449963 CHEMBL4176701 C-X-C chemokine receptor type 4 16 ChEMBL 10.1021/acs.jmedchem.8b00450 10.7270/Q2GH9MJ5 30052039 Nguyen, HH; Kim, MB; Wilson, RJ; Butch, CJ; Kuo, KM; Miller, EJ; Tahirovic, YA; Jecs, E; Truax, VM; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50449963 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50449963&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 135314048 433919514 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51103558 CCN(C[C@H]1Cc2c(CN1)cccc2N1CCNCC1)[C@H]1CCCc2cccnc12 InChI=1S/C25H35N5/c1-2-29(24-10-3-6-19-8-5-11-27-25(19)24)18-21-16-22-20(17-28-21)7-4-9-23(22)30-14-12-26-13-15-30/h4-5,7-9,11,21,24,26,28H,2-3,6,10,12-18H2,1H3/t21-,24+/m1/s1 SIXBBSBNDNEWTQ-QPPBQGQZSA-N 50449938 CHEMBL4169280 C-X-C chemokine receptor type 4 15 ChEMBL 10.1021/acs.jmedchem.8b00450 10.7270/Q2GH9MJ5 30052039 Nguyen, HH; Kim, MB; Wilson, RJ; Butch, CJ; Kuo, KM; Miller, EJ; Tahirovic, YA; Jecs, E; Truax, VM; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50449938 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50449938&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 145953040 433919489 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51103559 C(C1CCCCC1)N(C[C@H]1Cc2c(CN1)cccc2N1CCNCC1)[C@H]1CCCc2cccnc12 InChI=1S/C30H43N5/c1-2-7-23(8-3-1)21-35(29-13-4-9-24-11-6-14-32-30(24)29)22-26-19-27-25(20-33-26)10-5-12-28(27)34-17-15-31-16-18-34/h5-6,10-12,14,23,26,29,31,33H,1-4,7-9,13,15-22H2/t26-,29+/m1/s1 RNLVYINGLBPILI-UHSQPCAPSA-N 50449939 CHEMBL4176285 C-X-C chemokine receptor type 4 715 ChEMBL 10.1021/acs.jmedchem.8b00450 10.7270/Q2GH9MJ5 30052039 Nguyen, HH; Kim, MB; Wilson, RJ; Butch, CJ; Kuo, KM; Miller, EJ; Tahirovic, YA; Jecs, E; Truax, VM; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50449939 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50449939&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 145973146 433919490 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51103560 COCCN(C[C@H]1Cc2c(CN1)cccc2N1CCNCC1)[C@H]1CCCc2cccnc12 InChI=1S/C26H37N5O/c1-32-16-15-31(25-9-2-5-20-7-4-10-28-26(20)25)19-22-17-23-21(18-29-22)6-3-8-24(23)30-13-11-27-12-14-30/h3-4,6-8,10,22,25,27,29H,2,5,9,11-19H2,1H3/t22-,25+/m1/s1 BCNCPSDKLRPTET-RDGATRHJSA-N 50449940 CHEMBL4176403 C-X-C chemokine receptor type 4 154 ChEMBL 10.1021/acs.jmedchem.8b00450 10.7270/Q2GH9MJ5 30052039 Nguyen, HH; Kim, MB; Wilson, RJ; Butch, CJ; Kuo, KM; Miller, EJ; Tahirovic, YA; Jecs, E; Truax, VM; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50449940 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50449940&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 145974080 433919491 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51103561 CN(C[C@H]1Cc2c(CN1)cccc2N1CCNCC1)[C@H]1CCCc2cc(C)cnc12 InChI=1S/C25H35N5/c1-18-13-19-5-3-8-24(25(19)28-15-18)29(2)17-21-14-22-20(16-27-21)6-4-7-23(22)30-11-9-26-10-12-30/h4,6-7,13,15,21,24,26-27H,3,5,8-12,14,16-17H2,1-2H3/t21-,24+/m1/s1 RSENRXMUUIGFKE-QPPBQGQZSA-N 50449963 CHEMBL4176701 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.8b00450 10.7270/Q2GH9MJ5 30052039 Nguyen, HH; Kim, MB; Wilson, RJ; Butch, CJ; Kuo, KM; Miller, EJ; Tahirovic, YA; Jecs, E; Truax, VM; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50449963 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50449963&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 135314048 433919514 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51103562 CN1CCN(CC1)c1cccc2CN[C@@H](CN3CCC[C@H]4CCc5cccnc5[C@@H]34)Cc12 InChI=1S/C27H37N5/c1-30-13-15-31(16-14-30)25-8-2-5-22-18-29-23(17-24(22)25)19-32-12-4-7-21-10-9-20-6-3-11-28-26(20)27(21)32/h2-3,5-6,8,11,21,23,27,29H,4,7,9-10,12-19H2,1H3/t21-,23+,27-/m0/s1 XIFOVNBYXGVAQJ-AIUHUKMKSA-N 50449956 CHEMBL4171365 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.8b00450 10.7270/Q2GH9MJ5 30052039 Nguyen, HH; Kim, MB; Wilson, RJ; Butch, CJ; Kuo, KM; Miller, EJ; Tahirovic, YA; Jecs, E; Truax, VM; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50449956 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50449956&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 135313730 433919507 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51103563 CN(C[C@H]1Cc2c(CN1)cccc2N1C[C@H]2C[C@@H]1CN2)[C@H]1CCCc2cccnc12 InChI=1S/C25H33N5/c1-29(24-9-2-5-17-7-4-10-26-25(17)24)15-20-12-22-18(13-27-20)6-3-8-23(22)30-16-19-11-21(30)14-28-19/h3-4,6-8,10,19-21,24,27-28H,2,5,9,11-16H2,1H3/t19-,20-,21-,24+/m1/s1 FUIQAGUAFJESOC-CTVDGRRTSA-N 50449957 CHEMBL4163467 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.8b00450 10.7270/Q2GH9MJ5 30052039 Nguyen, HH; Kim, MB; Wilson, RJ; Butch, CJ; Kuo, KM; Miller, EJ; Tahirovic, YA; Jecs, E; Truax, VM; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50449957 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50449957&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 145960247 433919508 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51103564 CN(C[C@H]1Cc2c(CN1)cccc2N1C[C@@H]2C[C@H]1CN2)[C@H]1CCCc2cccnc12 InChI=1S/C25H33N5/c1-29(24-9-2-5-17-7-4-10-26-25(17)24)15-20-12-22-18(13-27-20)6-3-8-23(22)30-16-19-11-21(30)14-28-19/h3-4,6-8,10,19-21,24,27-28H,2,5,9,11-16H2,1H3/t19-,20+,21-,24-/m0/s1 FUIQAGUAFJESOC-XARGGIHNSA-N 50449958 CHEMBL4175596 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.8b00450 10.7270/Q2GH9MJ5 30052039 Nguyen, HH; Kim, MB; Wilson, RJ; Butch, CJ; Kuo, KM; Miller, EJ; Tahirovic, YA; Jecs, E; Truax, VM; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50449958 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50449958&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 145973345 433919509 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51103565 CN(C[C@H]1Cc2c(CN1)cccc2N1CCNC(C)(C)C1)[C@H]1CCCc2cccnc12 InChI=1S/C26H37N5/c1-26(2)18-31(14-13-29-26)23-10-5-8-20-16-28-21(15-22(20)23)17-30(3)24-11-4-7-19-9-6-12-27-25(19)24/h5-6,8-10,12,21,24,28-29H,4,7,11,13-18H2,1-3H3/t21-,24+/m1/s1 PVMUMRMBUONXEY-QPPBQGQZSA-N 50449959 CHEMBL4164970 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.8b00450 10.7270/Q2GH9MJ5 30052039 Nguyen, HH; Kim, MB; Wilson, RJ; Butch, CJ; Kuo, KM; Miller, EJ; Tahirovic, YA; Jecs, E; Truax, VM; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50449959 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50449959&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 145960079 433919510 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51103566 C[C@H]1CN(C[C@@H](C)N1)c1cccc2CN[C@@H](CN(C)[C@H]3CCCc4cccnc34)Cc12 InChI=1S/C26H37N5/c1-18-15-31(16-19(2)29-18)24-10-5-8-21-14-28-22(13-23(21)24)17-30(3)25-11-4-7-20-9-6-12-27-26(20)25/h5-6,8-10,12,18-19,22,25,28-29H,4,7,11,13-17H2,1-3H3/t18-,19+,22-,25+/m1/s1 JHHVTZUPBAYGDQ-ZHJWVTAZSA-N 50449931 CHEMBL4160496 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.8b00450 10.7270/Q2GH9MJ5 30052039 Nguyen, HH; Kim, MB; Wilson, RJ; Butch, CJ; Kuo, KM; Miller, EJ; Tahirovic, YA; Jecs, E; Truax, VM; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50449931 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50449931&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 145959142 433919482 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51103567 CN(C[C@H]1Cc2c(CN1)cccc2N1CCN(C)CC1)[C@H]1CCCc2cccnc12 InChI=1S/C25H35N5/c1-28-12-14-30(15-13-28)23-9-4-7-20-17-27-21(16-22(20)23)18-29(2)24-10-3-6-19-8-5-11-26-25(19)24/h4-5,7-9,11,21,24,27H,3,6,10,12-18H2,1-2H3/t21-,24+/m1/s1 VQKPLQVBEMYPHE-QPPBQGQZSA-N 50449960 CHEMBL4168391 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.8b00450 10.7270/Q2GH9MJ5 30052039 Nguyen, HH; Kim, MB; Wilson, RJ; Butch, CJ; Kuo, KM; Miller, EJ; Tahirovic, YA; Jecs, E; Truax, VM; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50449960 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50449960&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 145954818 433919511 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51103568 CCN1CCN(CC1)c1cccc2CN[C@@H](CN(C)[C@H]3CCCc4cccnc34)Cc12 InChI=1S/C26H37N5/c1-3-30-13-15-31(16-14-30)24-10-5-8-21-18-28-22(17-23(21)24)19-29(2)25-11-4-7-20-9-6-12-27-26(20)25/h5-6,8-10,12,22,25,28H,3-4,7,11,13-19H2,1-2H3/t22-,25+/m1/s1 YUMNREPPCIMPKZ-RDGATRHJSA-N 50449961 CHEMBL4163874 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.8b00450 10.7270/Q2GH9MJ5 30052039 Nguyen, HH; Kim, MB; Wilson, RJ; Butch, CJ; Kuo, KM; Miller, EJ; Tahirovic, YA; Jecs, E; Truax, VM; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50449961 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50449961&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 145957553 433919512 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51103569 CC(C)N1CCN(CC1)c1cccc2CN[C@@H](CN(C)[C@H]3CCCc4cccnc34)Cc12 InChI=1S/C27H39N5/c1-20(2)31-13-15-32(16-14-31)25-10-5-8-22-18-29-23(17-24(22)25)19-30(3)26-11-4-7-21-9-6-12-28-27(21)26/h5-6,8-10,12,20,23,26,29H,4,7,11,13-19H2,1-3H3/t23-,26+/m1/s1 OQKZJISBGZLPGQ-BVAGGSTKSA-N 50449935 CHEMBL4171755 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.8b00450 10.7270/Q2GH9MJ5 30052039 Nguyen, HH; Kim, MB; Wilson, RJ; Butch, CJ; Kuo, KM; Miller, EJ; Tahirovic, YA; Jecs, E; Truax, VM; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50449935 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50449935&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 145950510 433919486 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51103570 CN(C[C@H]1Cc2c(CN1)cccc2N1CCN(CC1)C1CC1)[C@H]1CCCc2cccnc12 InChI=1S/C27H37N5/c1-30(26-9-2-5-20-7-4-12-28-27(20)26)19-22-17-24-21(18-29-22)6-3-8-25(24)32-15-13-31(14-16-32)23-10-11-23/h3-4,6-8,12,22-23,26,29H,2,5,9-11,13-19H2,1H3/t22-,26+/m1/s1 FGBKVLILEJEKEB-GJZUVCINSA-N 50449932 CHEMBL4167324 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.8b00450 10.7270/Q2GH9MJ5 30052039 Nguyen, HH; Kim, MB; Wilson, RJ; Butch, CJ; Kuo, KM; Miller, EJ; Tahirovic, YA; Jecs, E; Truax, VM; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50449932 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50449932&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 145953177 433919483 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51103571 CN(C[C@H]1Cc2c(CN1)cccc2N1CCN(CC1)C1COC1)[C@H]1CCCc2cccnc12 InChI=1S/C27H37N5O/c1-30(26-9-2-5-20-7-4-10-28-27(20)26)17-22-15-24-21(16-29-22)6-3-8-25(24)32-13-11-31(12-14-32)23-18-33-19-23/h3-4,6-8,10,22-23,26,29H,2,5,9,11-19H2,1H3/t22-,26+/m1/s1 PCBQJZTYHMSROB-GJZUVCINSA-N 50449962 CHEMBL4175201 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.8b00450 10.7270/Q2GH9MJ5 30052039 Nguyen, HH; Kim, MB; Wilson, RJ; Butch, CJ; Kuo, KM; Miller, EJ; Tahirovic, YA; Jecs, E; Truax, VM; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50449962 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50449962&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 142416935 433919513 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51103572 CN(C[C@H]1Cc2c(CN1)cccc2N1CCN(CC1)c1ccccn1)[C@H]1CCCc2cccnc12 InChI=1S/C29H36N6/c1-33(27-11-4-7-22-9-6-14-31-29(22)27)21-24-19-25-23(20-32-24)8-5-10-26(25)34-15-17-35(18-16-34)28-12-2-3-13-30-28/h2-3,5-6,8-10,12-14,24,27,32H,4,7,11,15-21H2,1H3/t24-,27+/m1/s1 BYRBAVZUSYTLIS-SQHAQQRYSA-N 50449936 CHEMBL4169875 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.8b00450 10.7270/Q2GH9MJ5 30052039 Nguyen, HH; Kim, MB; Wilson, RJ; Butch, CJ; Kuo, KM; Miller, EJ; Tahirovic, YA; Jecs, E; Truax, VM; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50449936 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50449936&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 145954878 433919487 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51103573 CN(C[C@H]1Cc2c(CN1)cccc2N1CCN(CC1)c1ncccn1)[C@H]1CCCc2cccnc12 InChI=1S/C28H35N7/c1-33(26-10-2-6-21-8-4-11-29-27(21)26)20-23-18-24-22(19-32-23)7-3-9-25(24)34-14-16-35(17-15-34)28-30-12-5-13-31-28/h3-5,7-9,11-13,23,26,32H,2,6,10,14-20H2,1H3/t23-,26+/m1/s1 SBWDNXAOTCMVAA-BVAGGSTKSA-N 50449933 CHEMBL4167145 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.8b00450 10.7270/Q2GH9MJ5 30052039 Nguyen, HH; Kim, MB; Wilson, RJ; Butch, CJ; Kuo, KM; Miller, EJ; Tahirovic, YA; Jecs, E; Truax, VM; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50449933 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50449933&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 145952723 433919484 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51103574 CN(C[C@H]1Cc2c(CN1)cccc2N1CCN(Cc2ccccn2)CC1)[C@H]1CCCc2cccnc12 InChI=1S/C30H38N6/c1-34(29-12-4-7-23-9-6-14-32-30(23)29)21-26-19-27-24(20-33-26)8-5-11-28(27)36-17-15-35(16-18-36)22-25-10-2-3-13-31-25/h2-3,5-6,8-11,13-14,26,29,33H,4,7,12,15-22H2,1H3/t26-,29+/m1/s1 LBZXHERSMUUNEG-UHSQPCAPSA-N 50449947 CHEMBL4159234 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.8b00450 10.7270/Q2GH9MJ5 30052039 Nguyen, HH; Kim, MB; Wilson, RJ; Butch, CJ; Kuo, KM; Miller, EJ; Tahirovic, YA; Jecs, E; Truax, VM; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50449947 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50449947&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 145957599 433919498 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51103575 CN(C[C@H]1Cc2c(CN1)cccc2N1CCN2CCC[C@@H]2C1)[C@H]1CCCc2cccnc12 InChI=1S/C27H37N5/c1-30(26-11-2-6-20-8-4-12-28-27(20)26)18-22-16-24-21(17-29-22)7-3-10-25(24)32-15-14-31-13-5-9-23(31)19-32/h3-4,7-8,10,12,22-23,26,29H,2,5-6,9,11,13-19H2,1H3/t22-,23-,26+/m1/s1 QQPRUHDPQBQAIQ-PLXFJCCSSA-N 50449934 CHEMBL4162609 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.8b00450 10.7270/Q2GH9MJ5 30052039 Nguyen, HH; Kim, MB; Wilson, RJ; Butch, CJ; Kuo, KM; Miller, EJ; Tahirovic, YA; Jecs, E; Truax, VM; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50449934 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50449934&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 145963140 433919485 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51103576 CN(C[C@H]1Cc2c(CN1)cccc2N1CCN2CCC[C@H]2C1)[C@H]1CCCc2cccnc12 InChI=1S/C27H37N5/c1-30(26-11-2-6-20-8-4-12-28-27(20)26)18-22-16-24-21(17-29-22)7-3-10-25(24)32-15-14-31-13-5-9-23(31)19-32/h3-4,7-8,10,12,22-23,26,29H,2,5-6,9,11,13-19H2,1H3/t22-,23+,26+/m1/s1 QQPRUHDPQBQAIQ-UMFSSWHCSA-N 50449948 CHEMBL4173977 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.8b00450 10.7270/Q2GH9MJ5 30052039 Nguyen, HH; Kim, MB; Wilson, RJ; Butch, CJ; Kuo, KM; Miller, EJ; Tahirovic, YA; Jecs, E; Truax, VM; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50449948 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50449948&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 145951236 433919499 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51103577 CN(C[C@H]1Cc2c(CN1C)cccc2N1CCN(C)CC1)[C@H]1CCCc2cccnc12 InChI=1S/C26H37N5/c1-28-13-15-31(16-14-28)24-10-5-8-21-18-29(2)22(17-23(21)24)19-30(3)25-11-4-7-20-9-6-12-27-26(20)25/h5-6,8-10,12,22,25H,4,7,11,13-19H2,1-3H3/t22-,25+/m1/s1 ZMLOIDIAUZDVQK-RDGATRHJSA-N 50449937 CHEMBL4177338 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1021/acs.jmedchem.8b00450 10.7270/Q2GH9MJ5 30052039 Nguyen, HH; Kim, MB; Wilson, RJ; Butch, CJ; Kuo, KM; Miller, EJ; Tahirovic, YA; Jecs, E; Truax, VM; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50449937 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50449937&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 142416740 433919488 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51008771 NCCCCN(C[C@H]1Cc2ccccc2CN1)Cc1ccc(F)cn1 InChI=1S/C20H27FN4/c21-18-7-8-19(24-13-18)14-25(10-4-3-9-22)15-20-11-16-5-1-2-6-17(16)12-23-20/h1-2,5-8,13,20,23H,3-4,9-12,14-15,22H2/t20-/m1/s1 ZVRAAMPKCGGNMQ-HXUWFJFHSA-N 50286291 CHEMBL4161140 C-X-C chemokine receptor type 4 260 ChEMBL 10.1021/acsmedchemlett.7b00381 10.7270/Q2NG4T6G 29348805 Wilson, RJ; Jecs, E; Miller, EJ; Nguyen, HH; Tahirovic, YA; Truax, VM; Kim, MB; Kuo, KM; Wang, T; Sum, CS; Cvijic, ME; Paiva, AA; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50286291 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50286291&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 135313980 104127862 ZINC36331383 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51008772 NCCCCN(C[C@H]1Cc2ccccc2CN1)Cc1ccc2ccccc2n1 InChI=1S/C24H30N4/c25-13-5-6-14-28(17-22-12-11-19-7-3-4-10-24(19)27-22)18-23-15-20-8-1-2-9-21(20)16-26-23/h1-4,7-12,23,26H,5-6,13-18,25H2/t23-/m1/s1 MESBLDGGOJIGJO-HSZRJFAPSA-N 50286292 CHEMBL4161263 C-X-C chemokine receptor type 4 5751 ChEMBL 10.1021/acsmedchemlett.7b00381 10.7270/Q2NG4T6G 29348805 Wilson, RJ; Jecs, E; Miller, EJ; Nguyen, HH; Tahirovic, YA; Truax, VM; Kim, MB; Kuo, KM; Wang, T; Sum, CS; Cvijic, ME; Paiva, AA; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50286292 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50286292&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 135313789 104127863 ZINC36331385 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51009462 Cc1cnc(CN(CCCCN)C[C@H]2Cc3ccccc3CN2)c(C)c1 InChI=1S/C22H32N4/c1-17-11-18(2)22(25-13-17)16-26(10-6-5-9-23)15-21-12-19-7-3-4-8-20(19)14-24-21/h3-4,7-8,11,13,21,24H,5-6,9-10,12,14-16,23H2,1-2H3/t21-/m1/s1 QJRUWJLIWPWNRQ-OAQYLSRUSA-N 50286299 CHEMBL4169334 C-X-C chemokine receptor type 4 69 ChEMBL 10.1021/acsmedchemlett.7b00381 10.7270/Q2NG4T6G 29348805 Wilson, RJ; Jecs, E; Miller, EJ; Nguyen, HH; Tahirovic, YA; Truax, VM; Kim, MB; Kuo, KM; Wang, T; Sum, CS; Cvijic, ME; Paiva, AA; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50286299 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50286299&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 135314305 104127870 ZINC36349886 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51009614 COc1cccnc1CN(CCCCN)C[C@H]1Cc2ccccc2CN1 InChI=1S/C21H30N4O/c1-26-21-9-6-11-23-20(21)16-25(12-5-4-10-22)15-19-13-17-7-2-3-8-18(17)14-24-19/h2-3,6-9,11,19,24H,4-5,10,12-16,22H2,1H3/t19-/m1/s1 KSGXRLWGAKPKPI-LJQANCHMSA-N 50286302 CHEMBL4160731 C-X-C chemokine receptor type 4 >33000 ChEMBL 10.1021/acsmedchemlett.7b00381 10.7270/Q2NG4T6G 29348805 Wilson, RJ; Jecs, E; Miller, EJ; Nguyen, HH; Tahirovic, YA; Truax, VM; Kim, MB; Kuo, KM; Wang, T; Sum, CS; Cvijic, ME; Paiva, AA; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50286302 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50286302&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 135313983 104127873 ZINC14277130 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51009615 NCCCCN(C[C@H]1Cc2ccccc2CN1)Cc1ncccc1Cl InChI=1S/C20H27ClN4/c21-19-8-5-10-23-20(19)15-25(11-4-3-9-22)14-18-12-16-6-1-2-7-17(16)13-24-18/h1-2,5-8,10,18,24H,3-4,9,11-15,22H2/t18-/m1/s1 GFVPGEJCRVWXDS-GOSISDBHSA-N 50286295 CHEMBL4172443 C-X-C chemokine receptor type 4 1855 ChEMBL 10.1021/acsmedchemlett.7b00381 10.7270/Q2NG4T6G 29348805 Wilson, RJ; Jecs, E; Miller, EJ; Nguyen, HH; Tahirovic, YA; Truax, VM; Kim, MB; Kuo, KM; Wang, T; Sum, CS; Cvijic, ME; Paiva, AA; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50286295 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50286295&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 135313764 104127866 ZINC14277156 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51009616 Cc1cccc(CN(CCCCN)C[C@H]2Cc3ccccc3CN2)n1 InChI=1S/C21H30N4/c1-17-7-6-10-20(24-17)15-25(12-5-4-11-22)16-21-13-18-8-2-3-9-19(18)14-23-21/h2-3,6-10,21,23H,4-5,11-16,22H2,1H3/t21-/m1/s1 JDTFQBLYWCPUFC-OAQYLSRUSA-N 50286303 CHEMBL4168512 C-X-C chemokine receptor type 4 2902 ChEMBL 10.1021/acsmedchemlett.7b00381 10.7270/Q2NG4T6G 29348805 Wilson, RJ; Jecs, E; Miller, EJ; Nguyen, HH; Tahirovic, YA; Truax, VM; Kim, MB; Kuo, KM; Wang, T; Sum, CS; Cvijic, ME; Paiva, AA; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50286303 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50286303&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 135313976 104127874 ZINC36349888 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51009617 C[C@H](N(CCCCN)C[C@H]1Cc2ccccc2CN1)c1ncccc1C InChI=1S/C22H32N4/c1-17-8-7-12-24-22(17)18(2)26(13-6-5-11-23)16-21-14-19-9-3-4-10-20(19)15-25-21/h3-4,7-10,12,18,21,25H,5-6,11,13-16,23H2,1-2H3/t18-,21+/m0/s1 KTOPELDEHJBGPW-GHTZIAJQSA-N 50286309 CHEMBL4164685 C-X-C chemokine receptor type 4 24 ChEMBL 10.1021/acsmedchemlett.7b00381 10.7270/Q2NG4T6G 29348805 Wilson, RJ; Jecs, E; Miller, EJ; Nguyen, HH; Tahirovic, YA; Truax, VM; Kim, MB; Kuo, KM; Wang, T; Sum, CS; Cvijic, ME; Paiva, AA; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50286309 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50286309&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 135313960 104127880 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51009618 Cc1cnc2[C@H](CCCc2c1)N(CCCCN)C[C@H]1Cc2ccccc2CN1 InChI=1S/C24H34N4/c1-18-13-20-9-6-10-23(24(20)27-15-18)28(12-5-4-11-25)17-22-14-19-7-2-3-8-21(19)16-26-22/h2-3,7-8,13,15,22-23,26H,4-6,9-12,14,16-17,25H2,1H3/t22-,23+/m1/s1 PULIGFJJHXWMCU-PKTZIBPZSA-N 50286296 CHEMBL4163573 C-X-C chemokine receptor type 4 11 ChEMBL 10.1021/acsmedchemlett.7b00381 10.7270/Q2NG4T6G 29348805 Wilson, RJ; Jecs, E; Miller, EJ; Nguyen, HH; Tahirovic, YA; Truax, VM; Kim, MB; Kuo, KM; Wang, T; Sum, CS; Cvijic, ME; Paiva, AA; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50286296 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50286296&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 145956817 104127867 ZINC36349880 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51009619 NCCCCN(C[C@H]1Cc2ccccc2CN1)Cc1ccc(Cl)cn1 InChI=1S/C20H27ClN4/c21-18-7-8-19(24-13-18)14-25(10-4-3-9-22)15-20-11-16-5-1-2-6-17(16)12-23-20/h1-2,5-8,13,20,23H,3-4,9-12,14-15,22H2/t20-/m1/s1 UEVVLACOQRQXSW-HXUWFJFHSA-N 50286375 CHEMBL4162203 C-X-C chemokine receptor type 4 631 ChEMBL 10.1021/acsmedchemlett.7b00381 10.7270/Q2NG4T6G 29348805 Wilson, RJ; Jecs, E; Miller, EJ; Nguyen, HH; Tahirovic, YA; Truax, VM; Kim, MB; Kuo, KM; Wang, T; Sum, CS; Cvijic, ME; Paiva, AA; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50286375 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50286375&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 135314326 104127946 ZINC27180140 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51009632 Cc1cnc(CN(CCCCN)C[C@H]2Cc3ccccc3CN2)c(F)c1 InChI=1S/C21H29FN4/c1-16-10-20(22)21(25-12-16)15-26(9-5-4-8-23)14-19-11-17-6-2-3-7-18(17)13-24-19/h2-3,6-7,10,12,19,24H,4-5,8-9,11,13-15,23H2,1H3/t19-/m1/s1 JNMZZXDIGNVESH-LJQANCHMSA-N 50286421 CHEMBL4172727 C-X-C chemokine receptor type 4 323 ChEMBL 10.1021/acsmedchemlett.7b00381 10.7270/Q2NG4T6G 29348805 Wilson, RJ; Jecs, E; Miller, EJ; Nguyen, HH; Tahirovic, YA; Truax, VM; Kim, MB; Kuo, KM; Wang, T; Sum, CS; Cvijic, ME; Paiva, AA; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50286421 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50286421&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 135314218 104127992 ZINC27212912 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51009633 Cc1cc(F)cnc1CN(CCCCN)C[C@H]1Cc2ccccc2CN1 InChI=1S/C21H29FN4/c1-16-10-19(22)13-25-21(16)15-26(9-5-4-8-23)14-20-11-17-6-2-3-7-18(17)12-24-20/h2-3,6-7,10,13,20,24H,4-5,8-9,11-12,14-15,23H2,1H3/t20-/m1/s1 JGUIJYGWFILSMA-HXUWFJFHSA-N 50286300 CHEMBL4161409 C-X-C chemokine receptor type 4 127 ChEMBL 10.1021/acsmedchemlett.7b00381 10.7270/Q2NG4T6G 29348805 Wilson, RJ; Jecs, E; Miller, EJ; Nguyen, HH; Tahirovic, YA; Truax, VM; Kim, MB; Kuo, KM; Wang, T; Sum, CS; Cvijic, ME; Paiva, AA; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50286300 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50286300&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 142416702 104127871 ZINC36349883 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51009634 NCCCCN(C[C@H]1Cc2ccccc2CN1)Cc1ncccc1C1CC1 InChI=1S/C23H32N4/c24-11-3-4-13-27(17-23-22(18-9-10-18)8-5-12-25-23)16-21-14-19-6-1-2-7-20(19)15-26-21/h1-2,5-8,12,18,21,26H,3-4,9-11,13-17,24H2/t21-/m1/s1 PQAXJFYBVOVQKU-OAQYLSRUSA-N 50286422 CHEMBL4165906 C-X-C chemokine receptor type 4 163 ChEMBL 10.1021/acsmedchemlett.7b00381 10.7270/Q2NG4T6G 29348805 Wilson, RJ; Jecs, E; Miller, EJ; Nguyen, HH; Tahirovic, YA; Truax, VM; Kim, MB; Kuo, KM; Wang, T; Sum, CS; Cvijic, ME; Paiva, AA; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50286422 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50286422&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 135313955 104127993 ZINC27303675 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51009635 NCCCCN(C[C@H]1Cc2ccccc2CN1)Cc1ncccc1C(F)(F)F InChI=1S/C21H27F3N4/c22-21(23,24)19-8-5-10-26-20(19)15-28(11-4-3-9-25)14-18-12-16-6-1-2-7-17(16)13-27-18/h1-2,5-8,10,18,27H,3-4,9,11-15,25H2/t18-/m1/s1 DMQMHHRBCSYHSH-GOSISDBHSA-N 50286301 CHEMBL4173145 C-X-C chemokine receptor type 4 406 ChEMBL 10.1021/acsmedchemlett.7b00381 10.7270/Q2NG4T6G 29348805 Wilson, RJ; Jecs, E; Miller, EJ; Nguyen, HH; Tahirovic, YA; Truax, VM; Kim, MB; Kuo, KM; Wang, T; Sum, CS; Cvijic, ME; Paiva, AA; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50286301 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50286301&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 142416759 104127872 ZINC36349877 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51009636 NCCCCN(C[C@H]1Cc2ccccc2CN1)Cc1ccc(cn1)C(F)(F)F InChI=1S/C21H27F3N4/c22-21(23,24)18-7-8-19(27-13-18)14-28(10-4-3-9-25)15-20-11-16-5-1-2-6-17(16)12-26-20/h1-2,5-8,13,20,26H,3-4,9-12,14-15,25H2/t20-/m1/s1 RRXPTIYEBFHHHN-HXUWFJFHSA-N 50286400 CHEMBL4162461 C-X-C chemokine receptor type 4 >33000 ChEMBL 10.1021/acsmedchemlett.7b00381 10.7270/Q2NG4T6G 29348805 Wilson, RJ; Jecs, E; Miller, EJ; Nguyen, HH; Tahirovic, YA; Truax, VM; Kim, MB; Kuo, KM; Wang, T; Sum, CS; Cvijic, ME; Paiva, AA; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50286400 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50286400&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 135314164 104127971 ZINC36294323 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51009637 COc1ccc(CN(CCCCN)C[C@H]2Cc3ccccc3CN2)nc1 InChI=1S/C21H30N4O/c1-26-21-9-8-19(24-14-21)15-25(11-5-4-10-22)16-20-12-17-6-2-3-7-18(17)13-23-20/h2-3,6-9,14,20,23H,4-5,10-13,15-16,22H2,1H3/t20-/m1/s1 MTNLQQOYGGKPAT-HXUWFJFHSA-N 50286293 CHEMBL4171330 C-X-C chemokine receptor type 4 >23000 ChEMBL 10.1021/acsmedchemlett.7b00381 10.7270/Q2NG4T6G 29348805 Wilson, RJ; Jecs, E; Miller, EJ; Nguyen, HH; Tahirovic, YA; Truax, VM; Kim, MB; Kuo, KM; Wang, T; Sum, CS; Cvijic, ME; Paiva, AA; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50286293 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50286293&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 135314064 104127864 ZINC14277162 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51009638 NCCCCN(C[C@H]1Cc2ccccc2CN1)Cc1ncccc1F InChI=1S/C20H27FN4/c21-19-8-5-10-23-20(19)15-25(11-4-3-9-22)14-18-12-16-6-1-2-7-17(16)13-24-18/h1-2,5-8,10,18,24H,3-4,9,11-15,22H2/t18-/m1/s1 LDTADAMMKMQTLS-GOSISDBHSA-N 50286401 CHEMBL4169064 C-X-C chemokine receptor type 4 2116 ChEMBL 10.1021/acsmedchemlett.7b00381 10.7270/Q2NG4T6G 29348805 Wilson, RJ; Jecs, E; Miller, EJ; Nguyen, HH; Tahirovic, YA; Truax, VM; Kim, MB; Kuo, KM; Wang, T; Sum, CS; Cvijic, ME; Paiva, AA; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50286401 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50286401&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 135314256 104127972 ZINC36294320 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51009639 NCCCCN(C[C@H]1Cc2ccccc2CN1)Cc1cc(Cl)ccn1 InChI=1S/C20H27ClN4/c21-18-7-9-23-20(12-18)15-25(10-4-3-8-22)14-19-11-16-5-1-2-6-17(16)13-24-19/h1-2,5-7,9,12,19,24H,3-4,8,10-11,13-15,22H2/t19-/m1/s1 JQOSTHWRSSVYQA-LJQANCHMSA-N 50286402 CHEMBL4164560 C-X-C chemokine receptor type 4 >33000 ChEMBL 10.1021/acsmedchemlett.7b00381 10.7270/Q2NG4T6G 29348805 Wilson, RJ; Jecs, E; Miller, EJ; Nguyen, HH; Tahirovic, YA; Truax, VM; Kim, MB; Kuo, KM; Wang, T; Sum, CS; Cvijic, ME; Paiva, AA; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50286402 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50286402&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 135314383 104127973 ZINC06092461 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51009640 Cc1cccnc1CN(CCCCN)C[C@H]1Cc2ccccc2CN1 InChI=1S/C21H30N4/c1-17-7-6-11-23-21(17)16-25(12-5-4-10-22)15-20-13-18-8-2-3-9-19(18)14-24-20/h2-3,6-9,11,20,24H,4-5,10,12-16,22H2,1H3/t20-/m1/s1 UQUJESYESKGUPP-HXUWFJFHSA-N 50286398 CHEMBL4172866 C-X-C chemokine receptor type 4 21 ChEMBL 10.1021/acsmedchemlett.7b00381 10.7270/Q2NG4T6G 29348805 Wilson, RJ; Jecs, E; Miller, EJ; Nguyen, HH; Tahirovic, YA; Truax, VM; Kim, MB; Kuo, KM; Wang, T; Sum, CS; Cvijic, ME; Paiva, AA; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50286398 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50286398&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 135313758 104127969 ZINC36294332 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51009641 Cc1ccc(CN(CCCCN)C[C@H]2Cc3ccccc3CN2)nc1 InChI=1S/C21H30N4/c1-17-8-9-20(23-13-17)15-25(11-5-4-10-22)16-21-12-18-6-2-3-7-19(18)14-24-21/h2-3,6-9,13,21,24H,4-5,10-12,14-16,22H2,1H3/t21-/m1/s1 UMPFGCUHJPFUDG-OAQYLSRUSA-N 50286403 CHEMBL4176238 C-X-C chemokine receptor type 4 71 ChEMBL 10.1021/acsmedchemlett.7b00381 10.7270/Q2NG4T6G 29348805 Wilson, RJ; Jecs, E; Miller, EJ; Nguyen, HH; Tahirovic, YA; Truax, VM; Kim, MB; Kuo, KM; Wang, T; Sum, CS; Cvijic, ME; Paiva, AA; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50286403 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50286403&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 135314215 104127974 ZINC36294335 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51009642 NCCCCN(C[C@H]1Cc2ccccc2CN1)Cc1cc2ccccc2cn1 InChI=1S/C24H30N4/c25-11-5-6-12-28(17-23-13-19-7-1-3-9-21(19)15-26-23)18-24-14-20-8-2-4-10-22(20)16-27-24/h1-4,7-10,13,15,24,27H,5-6,11-12,14,16-18,25H2/t24-/m1/s1 KFPMIJKGKHDSQV-XMMPIXPASA-N 50286294 CHEMBL4176370 C-X-C chemokine receptor type 4 3307 ChEMBL 10.1021/acsmedchemlett.7b00381 10.7270/Q2NG4T6G 29348805 Wilson, RJ; Jecs, E; Miller, EJ; Nguyen, HH; Tahirovic, YA; Truax, VM; Kim, MB; Kuo, KM; Wang, T; Sum, CS; Cvijic, ME; Paiva, AA; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50286294 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50286294&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 135313757 104127865 ZINC14277118 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51009643 NCCCCN(C[C@H]1Cc2ccccc2CN1)Cc1nccc2ccccc12 InChI=1S/C24H30N4/c25-12-5-6-14-28(17-22-15-20-8-1-2-9-21(20)16-27-22)18-24-23-10-4-3-7-19(23)11-13-26-24/h1-4,7-11,13,22,27H,5-6,12,14-18,25H2/t22-/m1/s1 LCSHFPQAQGETQQ-JOCHJYFZSA-N 50286404 CHEMBL4171868 C-X-C chemokine receptor type 4 8721 ChEMBL 10.1021/acsmedchemlett.7b00381 10.7270/Q2NG4T6G 29348805 Wilson, RJ; Jecs, E; Miller, EJ; Nguyen, HH; Tahirovic, YA; Truax, VM; Kim, MB; Kuo, KM; Wang, T; Sum, CS; Cvijic, ME; Paiva, AA; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50286404 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50286404&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 135313829 104127975 ZINC36294307 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51009644 NCCCCN(C[C@H]1Cc2ccccc2CN1)Cc1ccccn1 InChI=1S/C20H28N4/c21-10-4-6-12-24(15-19-9-3-5-11-22-19)16-20-13-17-7-1-2-8-18(17)14-23-20/h1-3,5,7-9,11,20,23H,4,6,10,12-16,21H2/t20-/m1/s1 BRURFSSWVNTAEK-HXUWFJFHSA-N 50286405 CHEMBL4175319 C-X-C chemokine receptor type 4 230 ChEMBL 10.1021/acsmedchemlett.7b00381 10.7270/Q2NG4T6G 29348805 Wilson, RJ; Jecs, E; Miller, EJ; Nguyen, HH; Tahirovic, YA; Truax, VM; Kim, MB; Kuo, KM; Wang, T; Sum, CS; Cvijic, ME; Paiva, AA; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50286405 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50286405&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 135313931 104127976 ZINC36294317 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51009645 C[C@H](N(CCCCN)C[C@H]1Cc2ccccc2CN1)c1ccc(C)cn1 InChI=1S/C22H32N4/c1-17-9-10-22(25-14-17)18(2)26(12-6-5-11-23)16-21-13-19-7-3-4-8-20(19)15-24-21/h3-4,7-10,14,18,21,24H,5-6,11-13,15-16,23H2,1-2H3/t18-,21+/m0/s1 VDVDBVDCSZIDCF-GHTZIAJQSA-N 50286419 CHEMBL4160208 C-X-C chemokine receptor type 4 1710 ChEMBL 10.1021/acsmedchemlett.7b00381 10.7270/Q2NG4T6G 29348805 Wilson, RJ; Jecs, E; Miller, EJ; Nguyen, HH; Tahirovic, YA; Truax, VM; Kim, MB; Kuo, KM; Wang, T; Sum, CS; Cvijic, ME; Paiva, AA; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50286419 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50286419&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 135314132 104127990 ZINC27299237 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51009646 C[C@H](N(CCCCN)C[C@H]1Cc2ccccc2CN1)c1ccccn1 InChI=1S/C21H30N4/c1-17(21-10-4-6-12-23-21)25(13-7-5-11-22)16-20-14-18-8-2-3-9-19(18)15-24-20/h2-4,6,8-10,12,17,20,24H,5,7,11,13-16,22H2,1H3/t17-,20+/m0/s1 MEPBMCYDMSNDHL-FXAWDEMLSA-N 50286420 CHEMBL4168126 C-X-C chemokine receptor type 4 62 ChEMBL 10.1021/acsmedchemlett.7b00381 10.7270/Q2NG4T6G 29348805 Wilson, RJ; Jecs, E; Miller, EJ; Nguyen, HH; Tahirovic, YA; Truax, VM; Kim, MB; Kuo, KM; Wang, T; Sum, CS; Cvijic, ME; Paiva, AA; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50286420 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50286420&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 135313576 104127991 ZINC27309905 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51009647 NCCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 InChI=1S/C23H32N4/c24-12-3-4-14-27(22-11-5-9-18-10-6-13-25-23(18)22)17-21-15-19-7-1-2-8-20(19)16-26-21/h1-2,6-8,10,13,21-22,26H,3-5,9,11-12,14-17,24H2/t21-,22+/m1/s1 MYCKNKHATQGHEV-YADHBBJMSA-N 50443541 CHEMBL3091687 C-X-C chemokine receptor type 4 7.0 ChEMBL 10.1021/acsmedchemlett.7b00381 10.7270/Q2NG4T6G 29348805 Wilson, RJ; Jecs, E; Miller, EJ; Nguyen, HH; Tahirovic, YA; Truax, VM; Kim, MB; Kuo, KM; Wang, T; Sum, CS; Cvijic, ME; Paiva, AA; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50443541 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50443541&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 57345320 194941437 CHEMBL3091687 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51009651 Cc1ccnc(CN(CCCCN)C[C@H]2Cc3ccccc3CN2)c1 InChI=1S/C21H30N4/c1-17-8-10-23-20(12-17)15-25(11-5-4-9-22)16-21-13-18-6-2-3-7-19(18)14-24-21/h2-3,6-8,10,12,21,24H,4-5,9,11,13-16,22H2,1H3/t21-/m1/s1 VOTVILYGDDUMHZ-OAQYLSRUSA-N 50286297 CHEMBL4165634 C-X-C chemokine receptor type 4 698 ChEMBL 10.1021/acsmedchemlett.7b00381 10.7270/Q2NG4T6G 29348805 Wilson, RJ; Jecs, E; Miller, EJ; Nguyen, HH; Tahirovic, YA; Truax, VM; Kim, MB; Kuo, KM; Wang, T; Sum, CS; Cvijic, ME; Paiva, AA; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50286297 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50286297&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 135313911 104127868 ZINC36349875 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51009654 NCCCCN(C[C@H]1Cc2ccccc2CN1)Cc1ncccc1C=C InChI=1S/C22H30N4/c1-2-18-10-7-12-24-22(18)17-26(13-6-5-11-23)16-21-14-19-8-3-4-9-20(19)15-25-21/h2-4,7-10,12,21,25H,1,5-6,11,13-17,23H2/t21-/m1/s1 PSBSPLYSCIXZNC-OAQYLSRUSA-N 50286399 CHEMBL4176514 C-X-C chemokine receptor type 4 484 ChEMBL 10.1021/acsmedchemlett.7b00381 10.7270/Q2NG4T6G 29348805 Wilson, RJ; Jecs, E; Miller, EJ; Nguyen, HH; Tahirovic, YA; Truax, VM; Kim, MB; Kuo, KM; Wang, T; Sum, CS; Cvijic, ME; Paiva, AA; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50286399 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50286399&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 145974804 104127970 ZINC36294329 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51009655 NCCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCOc2cccnc12 InChI=1S/C22H30N4O/c23-10-3-4-12-26(20-9-13-27-21-8-5-11-24-22(20)21)16-19-14-17-6-1-2-7-18(17)15-25-19/h1-2,5-8,11,19-20,25H,3-4,9-10,12-16,23H2/t19-,20+/m1/s1 CVDOOUAVJKFFGB-UXHICEINSA-N 50286298 CHEMBL4171469 C-X-C chemokine receptor type 4 6.0 ChEMBL 10.1021/acsmedchemlett.7b00381 10.7270/Q2NG4T6G 29348805 Wilson, RJ; Jecs, E; Miller, EJ; Nguyen, HH; Tahirovic, YA; Truax, VM; Kim, MB; Kuo, KM; Wang, T; Sum, CS; Cvijic, ME; Paiva, AA; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50286298 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50286298&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 145950272 104127869 ZINC14277188 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51368011 CC1(C)CN2C(CS\C(NC3CCCCC3)=N/C3CCCCC3)=CSC2=N1 InChI=1S/C21H34N4S2/c1-21(2)15-25-18(14-27-20(25)24-21)13-26-19(22-16-9-5-3-6-10-16)23-17-11-7-4-8-12-17/h14,16-17H,3-13,15H2,1-2H3,(H,22,23) OOSUDWRRWZVFEB-UHFFFAOYSA-N 50247128 (6,6-dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)methyl N,N'-dicyclohexylimidothiocarbamate::1,3-dicyclohexyl-2-((6,6-dimethyl-5,6-dihydroimidazo[2,1-b]thiazol-3-yl)methyl)isothiourea::CHEMBL460491 C-X-C chemokine receptor type 4 7400 ChEMBL 10.1039/c9md00433e 10.7270/Q2BR8WSD 33479612 Reinecke, BA; Kang, G; Zheng, Y; Obeng, S; Zhang, H; Selley, DE; An, J; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50247128 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50247128&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search ITD 3OE6,3OE9,3OE8,3ODU 25147749 104102288 CHEMBL460491 2899 ZINC96319476 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51368012 CNC(=O)COCC(=O)NCCCCCCNC(=O)COCC(=O)NC[C@H]1CC[C@@H](CC1)\N=C(\NC1CCCCC1)SCC1=CSC2=NC(C)(C)CN12 InChI=1S/C37H62N8O6S2/c1-37(2)26-45-30(25-53-36(45)44-37)24-52-35(42-28-11-7-6-8-12-28)43-29-15-13-27(14-16-29)19-41-34(49)23-51-22-33(48)40-18-10-5-4-9-17-39-32(47)21-50-20-31(46)38-3/h25,27-29H,4-24,26H2,1-3H3,(H,38,46)(H,39,47)(H,40,48)(H,41,49)(H,42,43)/t27-,29- HTRADHDPEWKPQU-KWQFAZJVSA-N 50553074 CHEMBL4791514 C-X-C chemokine receptor type 4 74000 ChEMBL 10.1039/c9md00433e 10.7270/Q2BR8WSD 33479612 Reinecke, BA; Kang, G; Zheng, Y; Obeng, S; Zhang, H; Selley, DE; An, J; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50553074 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50553074&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 162670980 461691842 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51368013 CC1(C)CN2C(CS\C(NC3CCCCC3)=N/[C@H]3CC[C@H](CNC(=O)COCC(=O)NCCCCCCNC(=O)COCC(=O)N[C@@H]4CC[C@@]5(O)[C@H]6Cc7ccc(O)c8O[C@@H]4[C@]5(CCN6CC4CC4)c78)CC3)=CSC2=N1 InChI=1S/C56H83N9O9S2/c1-54(2)35-65-41(34-76-53(65)63-54)33-75-52(60-39-10-6-5-7-11-39)61-40-17-14-36(15-18-40)27-59-47(69)31-72-29-45(67)57-23-8-3-4-9-24-58-46(68)30-73-32-48(70)62-42-20-21-56(71)44-26-38-16-19-43(66)50-49(38)55(56,51(42)74-50)22-25-64(44)28-37-12-13-37/h16,19,34,36-37,39-40,42,44,51,66,71H,3-15,17-18,20-33,35H2,1-2H3,(H,57,67)(H,58,68)(H,59,69)(H,60,61)(H,62,70)/t36-,40-,42-,44-,51+,55+,56-/m1/s1 DNKQKLGPPWSTRG-DZFPSEJVSA-N 50553072 CHEMBL4750948 C-X-C chemokine receptor type 4 17200 ChEMBL 10.1039/c9md00433e 10.7270/Q2BR8WSD 33479612 Reinecke, BA; Kang, G; Zheng, Y; Obeng, S; Zhang, H; Selley, DE; An, J; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50553072 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50553072&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 162652106 461691840 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 50804462 CC1=CCC[C@H]1NC(=O)Nc1ccc(Cl)c(c1O)S(=O)(=O)[C@@]1(C)CCOC1 InChI=1S/C18H23ClN2O5S/c1-11-4-3-5-13(11)20-17(23)21-14-7-6-12(19)16(15(14)22)27(24,25)18(2)8-9-26-10-18/h4,6-7,13,22H,3,5,8-10H2,1-2H3,(H2,20,21,23)/t13-,18+/m1/s1 DNXKACKCTLURQN-ACJLOTCBSA-N 50255479 CHEMBL4067429 C-X-C chemokine receptor type 4 >10000 ChEMBL 10.1021/acs.jmedchem.7b01854 10.7270/Q2959M1F 29406702 Lu, H; Yang, T; Xu, Z; Lin, X; Ding, Q; Zhang, Y; Cai, X; Dong, K; Gong, S; Zhang, W; Patel, M; Copley, RCB; Xiang, J; Guan, X; Wren, P; Ren, F GSK Pharmaceuticals R & D http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50255479 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50255479&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 100951623 402360319 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51181362 F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.Cc1cn(CCC[n+]2ccc(cc2)-c2cc[n+](Cc3cc(C[n+]4ccc(cc4)-c4cc[n+](CCCn5cc(C)c(=O)[nH]c5=O)cc4)cc(C[n+]4ccc(cc4)-c4cc[n+](Cc5cc(C[n+]6ccc(cc6)-c6cc[n+](Cc7cc(C[n+]8ccc(cc8)-c8cc[n+](CCCn9cc(C)c(=O)[nH]c9=O)cc8)cc(C[n+]8ccc(cc8)-c8cc[n+](CCCn9cc(C)c(=O)[nH]c9=O)cc8)c7)cc6)cc(C[n+]6ccc(cc6)-c6cc[n+](Cc7cc(C[n+]8ccc(cc8)-c8cc[n+](CCCn9cc(C)c(=O)[nH]c9=O)cc8)cc(C[n+]8ccc(cc8)-c8cc[n+](CCCn9cc(C)c(=O)[nH]c9=O)cc8)c7)cc6)c5)cc4)c3)cc2)c(=O)[nH]c1=O InChI=1S/C174H168N30O12/c1-127-109-199(169(211)175-163(127)205)55-7-49-181-61-13-145(14-62-181)151-25-73-187(74-26-151)115-133-97-134(116-188-75-27-152(28-76-188)146-15-63-182(64-16-146)50-8-56-200-110-128(2)164(206)176-170(200)212)101-139(100-133)121-193-85-37-157(38-86-193)160-43-91-196(92-44-160)124-142-106-143(125-197-93-45-161(46-94-197)158-39-87-194(88-40-158)122-140-102-135(117-189-77-29-153(30-78-189)147-17-65-183(66-18-147)51-9-57-201-111-129(3)165(207)177-171(201)213)98-136(103-140)118-190-79-31-154(32-80-190)148-19-67-184(68-20-148)52-10-58-202-112-130(4)166(208)178-172(202)214)108-144(107-142)126-198-95-47-162(48-96-198)159-41-89-195(90-42-159)123-141-104-137(119-191-81-33-155(34-82-191)149-21-69-185(70-22-149)53-11-59-203-113-131(5)167(209)179-173(203)215)99-138(105-141)120-192-83-35-156(36-84-192)150-23-71-186(72-24-150)54-12-60-204-114-132(6)168(210)180-174(204)216/h13-48,61-114H,7-12,49-60,115-126H2,1-6H3/q+12/p+6 WWSCGJCGTBRMQW-UHFFFAOYSA-T 50485932 CHEMBL2179458 C-X-C 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DNTVSZXSDAOSIM-UHFFFAOYSA-Z 50485934 CHEMBL2179464 C-X-C chemokine receptor type 4 191 ChEMBL 10.1021/jm301337y 10.7270/Q26M39QZ 23157587 Asaftei, S; Huskens, D; Schols, D University of Osnabr£ck http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50485934 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50485934&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 1 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http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50485933&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 71453764 433953198 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51181367 F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.CC[n+]1ccc(cc1)-c1cc[n+](Cc2cc(C[n+]3ccc(cc3)-c3cc[n+](CC)cc3)cc(C[n+]3ccc(cc3)-c3cc[n+](Cc4cc(C[n+]5ccc(cc5)-c5cc[n+](Cc6cc(C[n+]7ccc(cc7)-c7cc[n+](CC)cc7)cc(C[n+]7ccc(cc7)-c7cc[n+](CC)cc7)c6)cc5)cc(C[n+]5ccc(cc5)-c5cc[n+](Cc6cc(C[n+]7ccc(cc7)-c7cc[n+](Cc8cc(C[n+]9ccc(cc9)-c9cc[n+](Cc%10cc(C[n+]%11ccc(cc%11)-c%11cc[n+](CC)cc%11)cc(C[n+]%11ccc(cc%11)-c%11cc[n+](CC)cc%11)c%10)cc9)cc(C[n+]9ccc(cc9)-c9cc[n+](Cc%10cc(C[n+]%11ccc(cc%11)-c%11cc[n+](CC)cc%11)cc(C[n+]%11ccc(cc%11)-c%11cc[n+](CC)cc%11)c%10)cc9)c8)cc7)cc(C[n+]7ccc(cc7)-c7cc[n+](Cc8cc(C[n+]9ccc(cc9)-c9cc[n+](Cc%10cc(C[n+]%11ccc(cc%11)-c%11cc[n+](CC)cc%11)cc(C[n+]%11ccc(cc%11)-c%11cc[n+](CC)cc%11)c%10)cc9)cc(C[n+]9ccc(cc9)-c9cc[n+](Cc%10cc(C[n+]%11ccc(cc%11)-c%11cc[n+](CC)cc%11)cc(C[n+]%11ccc(cc%11)-c%11cc[n+](CC)cc%11)c%10)cc9)c8)cc7)c6)cc5)c4)cc3)c2)cc1 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DDHIANMDFDBMJW-UHFFFAOYSA-N 50485935 CHEMBL2179461 C-X-C chemokine receptor type 4 110 ChEMBL 10.1021/jm301337y 10.7270/Q26M39QZ 23157587 Asaftei, S; Huskens, D; Schols, D University of Osnabr£ck http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50485935 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50485935&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 71450127 433953200 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51181368 C(N1CCCNCCNCCCNCC1)c1ccc(CN2CCCNCCNCCCNCC2)cc1 InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2 YIQPUIGJQJDJOS-UHFFFAOYSA-N 50035696 1,1''-{1,4-phenylenebis(methylene)}-bis{1,4,8,11-tetraaza-cyclotetradecane}::1,4,8,11-tetraazacyclotetradecanyl[4-(1,4,8,11-tetraazacyclotetradecanylmethyl)phenyl]methane::1,4,8,11-tetraazacyclotetradecanyl[4-(1,4,8,11-tetraazacyclotetradecanylmethyl)phenyl]methane(8HBr.2H2O)::1,4-bis((1,4,8,11-tetraazacyclotetradecan-1-yl)methyl)benzene::11''-xylyl bis-1,4,8,11-tetraazacyclotetradecane::11-{4-[4,8, 11-1,4,8,11tetraaza-cyclotetradec-1-ylmethyl]-benzyl}-1,4,8,11tetraaza-cyclotetradecane-1,4,8-tricarboxylic acid tri-tert-butyl ester::AMD-3100::CHEMBL18442::CHEMBL2311089::PLERIXAFOR::PLERIXAFOR OCTAHYDROCHLORIDE::US9205085, MSX-162 C-X-C chemokine receptor type 4 >1980 ChEMBL 10.1021/jm301337y 10.7270/Q26M39QZ 23157587 Asaftei, S; Huskens, D; Schols, D University of Osnabr£ck http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50035696 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50035696&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 65015 103943663 CHEMBL2311089CHEMBL18442 DB06809 844 ZINC22443609 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51181369 C(N1CCCNCCNCCCNCC1)c1ccc(CN2CCCNCCNCCCNCC2)cc1 InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2 YIQPUIGJQJDJOS-UHFFFAOYSA-N 50035696 1,1''-{1,4-phenylenebis(methylene)}-bis{1,4,8,11-tetraaza-cyclotetradecane}::1,4,8,11-tetraazacyclotetradecanyl[4-(1,4,8,11-tetraazacyclotetradecanylmethyl)phenyl]methane::1,4,8,11-tetraazacyclotetradecanyl[4-(1,4,8,11-tetraazacyclotetradecanylmethyl)phenyl]methane(8HBr.2H2O)::1,4-bis((1,4,8,11-tetraazacyclotetradecan-1-yl)methyl)benzene::11''-xylyl bis-1,4,8,11-tetraazacyclotetradecane::11-{4-[4,8, 11-1,4,8,11tetraaza-cyclotetradec-1-ylmethyl]-benzyl}-1,4,8,11tetraaza-cyclotetradecane-1,4,8-tricarboxylic acid tri-tert-butyl ester::AMD-3100::CHEMBL18442::CHEMBL2311089::PLERIXAFOR::PLERIXAFOR OCTAHYDROCHLORIDE::US9205085, MSX-162 C-X-C chemokine receptor type 4 39.8 ChEMBL 10.1021/jm301337y 10.7270/Q26M39QZ 23157587 Asaftei, S; Huskens, D; Schols, D University of Osnabr£ck http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50035696 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50035696&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 65015 103943663 CHEMBL2311089CHEMBL18442 DB06809 844 ZINC22443609 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51181370 C(N1CCCNCCNCCCNCC1)c1ccc(CN2CCCNCCNCCCNCC2)cc1 InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2 YIQPUIGJQJDJOS-UHFFFAOYSA-N 50035696 1,1''-{1,4-phenylenebis(methylene)}-bis{1,4,8,11-tetraaza-cyclotetradecane}::1,4,8,11-tetraazacyclotetradecanyl[4-(1,4,8,11-tetraazacyclotetradecanylmethyl)phenyl]methane::1,4,8,11-tetraazacyclotetradecanyl[4-(1,4,8,11-tetraazacyclotetradecanylmethyl)phenyl]methane(8HBr.2H2O)::1,4-bis((1,4,8,11-tetraazacyclotetradecan-1-yl)methyl)benzene::11''-xylyl bis-1,4,8,11-tetraazacyclotetradecane::11-{4-[4,8, 11-1,4,8,11tetraaza-cyclotetradec-1-ylmethyl]-benzyl}-1,4,8,11tetraaza-cyclotetradecane-1,4,8-tricarboxylic acid tri-tert-butyl ester::AMD-3100::CHEMBL18442::CHEMBL2311089::PLERIXAFOR::PLERIXAFOR OCTAHYDROCHLORIDE::US9205085, MSX-162 C-X-C chemokine receptor type 4 113 ChEMBL 10.1021/jm301337y 10.7270/Q26M39QZ 23157587 Asaftei, S; Huskens, D; Schols, D University of Osnabr£ck http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50035696 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50035696&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 65015 103943663 CHEMBL2311089CHEMBL18442 DB06809 844 ZINC22443609 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 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50485936 CHEMBL2179463 C-X-C chemokine receptor type 4 208 ChEMBL 10.1021/jm301337y 10.7270/Q26M39QZ 23157587 Asaftei, S; Huskens, D; Schols, D University of Osnabr£ck http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50485936 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50485936&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 71453766 433953201 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51181372 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HCUPDEJHUKCZFZ-UHFFFAOYSA-V 50485937 CHEMBL2179459 C-X-C chemokine receptor type 4 230 ChEMBL 10.1021/jm301337y 10.7270/Q26M39QZ 23157587 Asaftei, S; Huskens, D; Schols, D University of Osnabr£ck http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50485937 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50485937&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 71450125 433953202 1 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chemokine receptor type 4 236 ChEMBL 10.1021/jm301337y 10.7270/Q26M39QZ 23157587 Asaftei, S; Huskens, D; Schols, D University of Osnabr£ck http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50485932 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50485932&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 71457283 433953197 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor 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http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50485938&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 46871630 433953203 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51181383 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chemokine receptor type 4 273 ChEMBL 10.1021/jm301337y 10.7270/Q26M39QZ 23157587 Asaftei, S; Huskens, D; Schols, D University of Osnabr£ck http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50485932 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50485932&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 71457283 433953197 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor 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50485936 CHEMBL2179463 C-X-C chemokine receptor type 4 536 ChEMBL 10.1021/jm301337y 10.7270/Q26M39QZ 23157587 Asaftei, S; Huskens, D; Schols, D University of Osnabr£ck http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50485936 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50485936&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 71453766 433953201 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51181386 C(N1CCCNCCNCCCNCC1)c1ccc(CN2CCCNCCNCCCNCC2)cc1 InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2 YIQPUIGJQJDJOS-UHFFFAOYSA-N 50035696 1,1''-{1,4-phenylenebis(methylene)}-bis{1,4,8,11-tetraaza-cyclotetradecane}::1,4,8,11-tetraazacyclotetradecanyl[4-(1,4,8,11-tetraazacyclotetradecanylmethyl)phenyl]methane::1,4,8,11-tetraazacyclotetradecanyl[4-(1,4,8,11-tetraazacyclotetradecanylmethyl)phenyl]methane(8HBr.2H2O)::1,4-bis((1,4,8,11-tetraazacyclotetradecan-1-yl)methyl)benzene::11''-xylyl bis-1,4,8,11-tetraazacyclotetradecane::11-{4-[4,8, 11-1,4,8,11tetraaza-cyclotetradec-1-ylmethyl]-benzyl}-1,4,8,11tetraaza-cyclotetradecane-1,4,8-tricarboxylic acid tri-tert-butyl ester::AMD-3100::CHEMBL18442::CHEMBL2311089::PLERIXAFOR::PLERIXAFOR OCTAHYDROCHLORIDE::US9205085, MSX-162 C-X-C chemokine receptor type 4 338 ChEMBL 10.1021/jm301337y 10.7270/Q26M39QZ 23157587 Asaftei, S; Huskens, D; Schols, D University of Osnabr£ck http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50035696 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DNTVSZXSDAOSIM-UHFFFAOYSA-Z 50485934 CHEMBL2179464 C-X-C chemokine receptor type 4 231 ChEMBL 10.1021/jm301337y 10.7270/Q26M39QZ 23157587 Asaftei, S; Huskens, D; Schols, D University of Osnabr£ck http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50485934 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50485934&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51181388 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50485936 CHEMBL2179463 C-X-C chemokine receptor type 4 342 ChEMBL 10.1021/jm301337y 10.7270/Q26M39QZ 23157587 Asaftei, S; Huskens, D; Schols, D University of Osnabr£ck http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50485936 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50485936&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 71453766 433953201 1 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50485936 CHEMBL2179463 C-X-C chemokine receptor type 4 283 ChEMBL 10.1021/jm301337y 10.7270/Q26M39QZ 23157587 Asaftei, S; Huskens, D; Schols, D University of Osnabr£ck http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50485936 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50485936&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 71453766 433953201 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51181391 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50485936 CHEMBL2179463 C-X-C chemokine receptor type 4 447 ChEMBL 10.1021/jm301337y 10.7270/Q26M39QZ 23157587 Asaftei, S; Huskens, D; Schols, D University of Osnabr£ck http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50485936 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50485936&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 71453766 433953201 1 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DNTVSZXSDAOSIM-UHFFFAOYSA-Z 50485934 CHEMBL2179464 C-X-C chemokine receptor type 4 175 ChEMBL 10.1021/jm301337y 10.7270/Q26M39QZ 23157587 Asaftei, S; Huskens, D; Schols, D University of Osnabr£ck http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50485934 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50485934&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 1 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DNTVSZXSDAOSIM-UHFFFAOYSA-Z 50485934 CHEMBL2179464 C-X-C chemokine receptor type 4 38.3 ChEMBL 10.1021/jm301337y 10.7270/Q26M39QZ 23157587 Asaftei, S; Huskens, D; Schols, D University of Osnabr£ck http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50485934 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50485934&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 1 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1,1''-{1,4-phenylenebis(methylene)}-bis{1,4,8,11-tetraaza-cyclotetradecane}::1,4,8,11-tetraazacyclotetradecanyl[4-(1,4,8,11-tetraazacyclotetradecanylmethyl)phenyl]methane::1,4,8,11-tetraazacyclotetradecanyl[4-(1,4,8,11-tetraazacyclotetradecanylmethyl)phenyl]methane(8HBr.2H2O)::1,4-bis((1,4,8,11-tetraazacyclotetradecan-1-yl)methyl)benzene::11''-xylyl bis-1,4,8,11-tetraazacyclotetradecane::11-{4-[4,8, 11-1,4,8,11tetraaza-cyclotetradec-1-ylmethyl]-benzyl}-1,4,8,11tetraaza-cyclotetradecane-1,4,8-tricarboxylic acid tri-tert-butyl ester::AMD-3100::CHEMBL18442::CHEMBL2311089::PLERIXAFOR::PLERIXAFOR OCTAHYDROCHLORIDE::US9205085, MSX-162 C-X-C chemokine receptor type 4 39.8 ChEMBL 10.1021/jm301337y 10.7270/Q26M39QZ 23157587 Asaftei, S; Huskens, D; Schols, D University of Osnabr£ck http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50035696 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HCUPDEJHUKCZFZ-UHFFFAOYSA-V 50485937 CHEMBL2179459 C-X-C chemokine receptor type 4 204 ChEMBL 10.1021/jm301337y 10.7270/Q26M39QZ 23157587 Asaftei, S; Huskens, D; Schols, D University of Osnabr£ck http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50485937 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50485937&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 71450125 433953202 1 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HCUPDEJHUKCZFZ-UHFFFAOYSA-V 50485937 CHEMBL2179459 C-X-C chemokine receptor type 4 332 ChEMBL 10.1021/jm301337y 10.7270/Q26M39QZ 23157587 Asaftei, S; Huskens, D; Schols, D University of Osnabr£ck http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50485937 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50485937&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 71450125 433953202 1 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InChI=1S/C24H25ClN4O5S2/c1-24(2,31)23(30)26-13-15-6-4-7-16(12-15)14-29-17-8-5-9-18(34-3)21(17)22(27-29)28-36(32,33)20-11-10-19(25)35-20/h4-12,31H,13-14H2,1-3H3,(H,26,30)(H,27,28) YTEVTHHGQMUPHC-UHFFFAOYSA-N 50380880 CHEMBL2018969 C-X-C chemokine receptor type 4 <10000 ChEMBL 10.1021/jm301572h 10.7270/Q26W9F07 23409871 Procopiou, PA; Barrett, JW; Barton, NP; Begg, M; Clapham, D; Copley, RC; Ford, AJ; Graves, RH; Hall, DA; Hancock, AP; Hill, AP; Hobbs, H; Hodgson, ST; Jumeaux, C; Lacroix, YM; Miah, AH; Morriss, KM; Needham, D; Sheriff, EB; Slack, RJ; Smith, CE; Sollis, SL; Staton, H GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50380880 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50380880&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 46861584 160859963 CHEMBL2018969 ZINC84618892 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51268052 C(N(Cc1ccccn1)Cc1ccccc1-c1cccc(CN2CCCNCCNCCCNCC2)c1)c1ccccn1 InChI=1S/C36H47N7/c1-2-15-36(33(11-1)28-43(29-34-13-3-5-19-40-34)30-35-14-4-6-20-41-35)32-12-7-10-31(26-32)27-42-24-9-18-38-22-21-37-16-8-17-39-23-25-42/h1-7,10-15,19-20,26,37-39H,8-9,16-18,21-25,27-30H2 PTRXOULFRUBYQN-UHFFFAOYSA-N 50517798 CHEMBL4568686 C-X-C chemokine receptor type 4 7.9 ChEMBL 10.1016/j.bmc.2019.02.013 10.7270/Q2QR51HR 30772128 Sakyiamah, MM; Kobayakawa, T; Fujino, M; Konno, M; Narumi, T; Tanaka, T; Nomura, W; Yamamoto, N; Murakami, T; Tamamura, H Tokyo Medical and Dental University (TMDU) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50517798 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50517798&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 155560382 440726380 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51268053 C(N(Cc1ccccn1)Cc1ccccn1)c1ccc2cc(CN3CCCNCCNCCCNCC3)ccc2c1 InChI=1S/C34H45N7/c1-3-16-38-33(7-1)27-41(28-34-8-2-4-17-39-34)26-30-10-12-31-23-29(9-11-32(31)24-30)25-40-21-6-15-36-19-18-35-13-5-14-37-20-22-40/h1-4,7-12,16-17,23-24,35-37H,5-6,13-15,18-22,25-28H2 WJBAMZWKENBNHU-UHFFFAOYSA-N 50517799 CHEMBL4531581 C-X-C chemokine receptor type 4 10.0 ChEMBL 10.1016/j.bmc.2019.02.013 10.7270/Q2QR51HR 30772128 Sakyiamah, MM; Kobayakawa, T; Fujino, M; Konno, M; Narumi, T; Tanaka, T; Nomura, W; Yamamoto, N; Murakami, T; Tamamura, H Tokyo Medical and Dental University (TMDU) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50517799 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50517799&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 155546592 440726381 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51268054 C(N(Cc1ccccn1)Cc1ccccn1)c1ccnc(c1)-c1cccc(CN2CCCNCCNCCCNCC2)c1 InChI=1S/C35H46N8/c1-3-16-39-33(10-1)28-43(29-34-11-2-4-17-40-34)27-31-12-18-41-35(25-31)32-9-5-8-30(24-32)26-42-22-7-15-37-20-19-36-13-6-14-38-21-23-42/h1-5,8-12,16-18,24-25,36-38H,6-7,13-15,19-23,26-29H2 WHOBCJQUBKORGU-UHFFFAOYSA-N 50517800 CHEMBL4451705 C-X-C chemokine receptor type 4 3.5 ChEMBL 10.1016/j.bmc.2019.02.013 10.7270/Q2QR51HR 30772128 Sakyiamah, MM; Kobayakawa, T; Fujino, M; Konno, M; Narumi, T; Tanaka, T; Nomura, W; Yamamoto, N; Murakami, T; Tamamura, H Tokyo Medical and Dental University (TMDU) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50517800 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50517800&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 155521909 440726382 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51268055 C(N(Cc1ccccn1)Cc1ccccn1)c1ccc(CN2CCCNCCNCCCNCC2)cc1 InChI=1S/C30H43N7/c1-3-16-34-29(7-1)25-37(26-30-8-2-4-17-35-30)24-28-11-9-27(10-12-28)23-36-21-6-15-32-19-18-31-13-5-14-33-20-22-36/h1-4,7-12,16-17,31-33H,5-6,13-15,18-26H2 AXXQBIPPXRBVCU-UHFFFAOYSA-N 50517801 CHEMBL4532299 C-X-C chemokine receptor type 4 32 ChEMBL 10.1016/j.bmc.2019.02.013 10.7270/Q2QR51HR 30772128 Sakyiamah, MM; Kobayakawa, T; Fujino, M; Konno, M; Narumi, T; Tanaka, T; Nomura, W; Yamamoto, N; Murakami, T; Tamamura, H Tokyo Medical and Dental University (TMDU) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50517801 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50517801&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 155546536 440726383 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51268056 C(N(Cc1ccccn1)Cc1ccccn1)c1ccc2c(CN3CCCNCCNCCCNCC3)cccc2c1 InChI=1S/C34H45N7/c1-3-17-38-32(10-1)27-41(28-33-11-2-4-18-39-33)25-29-12-13-34-30(24-29)8-5-9-31(34)26-40-22-7-16-36-20-19-35-14-6-15-37-21-23-40/h1-5,8-13,17-18,24,35-37H,6-7,14-16,19-23,25-28H2 UMLRUQWOHQATFD-UHFFFAOYSA-N 50517802 CHEMBL4457992 C-X-C chemokine receptor type 4 1.6 ChEMBL 10.1016/j.bmc.2019.02.013 10.7270/Q2QR51HR 30772128 Sakyiamah, MM; Kobayakawa, T; Fujino, M; Konno, M; Narumi, T; Tanaka, T; Nomura, W; Yamamoto, N; Murakami, T; Tamamura, H Tokyo Medical and Dental University (TMDU) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50517802 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50517802&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 155525671 440726384 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51268057 C(N(Cc1ccccn1)Cc1ccccn1)c1ccc(cc1)-c1ncccc1CN1CCCNCCNCCCNCC1 InChI=1S/C35H46N8/c1-3-18-39-33(9-1)28-43(29-34-10-2-4-19-40-34)26-30-11-13-31(14-12-30)35-32(8-5-20-41-35)27-42-24-7-17-37-22-21-36-15-6-16-38-23-25-42/h1-5,8-14,18-20,36-38H,6-7,15-17,21-29H2 PLQAGVXEAUFWBY-UHFFFAOYSA-N 50517803 CHEMBL4529751 C-X-C chemokine receptor type 4 4.5 ChEMBL 10.1016/j.bmc.2019.02.013 10.7270/Q2QR51HR 30772128 Sakyiamah, MM; Kobayakawa, T; Fujino, M; Konno, M; Narumi, T; Tanaka, T; Nomura, W; Yamamoto, N; Murakami, T; Tamamura, H Tokyo Medical and Dental University (TMDU) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50517803 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50517803&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 155545664 440726385 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51268058 C(N(Cc1ccccn1)Cc1ccccn1)c1ccc(cc1)-c1ccccc1CN1CCCNCCNCCCNCC1 InChI=1S/C36H47N7/c1-2-12-36(33(9-1)28-42-25-8-19-38-23-22-37-17-7-18-39-24-26-42)32-15-13-31(14-16-32)27-43(29-34-10-3-5-20-40-34)30-35-11-4-6-21-41-35/h1-6,9-16,20-21,37-39H,7-8,17-19,22-30H2 RUGAHLBTPSZPSM-UHFFFAOYSA-N 50517804 CHEMBL4548792 C-X-C chemokine receptor type 4 5.7 ChEMBL 10.1016/j.bmc.2019.02.013 10.7270/Q2QR51HR 30772128 Sakyiamah, MM; Kobayakawa, T; Fujino, M; Konno, M; Narumi, T; Tanaka, T; Nomura, W; Yamamoto, N; Murakami, T; Tamamura, H Tokyo Medical and Dental University (TMDU) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50517804 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50517804&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 155548895 440726386 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51266179 CCCCN(C(C)c1ccc(cc1)-c1ccccc1-c1nnn[nH]1)c1nc2ccccc2o1 InChI=1S/C26H26N6O/c1-3-4-17-32(26-27-23-11-7-8-12-24(23)33-26)18(2)19-13-15-20(16-14-19)21-9-5-6-10-22(21)25-28-30-31-29-25/h5-16,18H,3-4,17H2,1-2H3,(H,28,29,30,31) XEHFWPJFUYLUSK-UHFFFAOYSA-N 50517126 CHEMBL4463797 C-X-C chemokine receptor type 4 8800 ChEMBL 10.1016/j.bmc.2019.115091 10.7270/Q2N30190 31521459 Imaizumi, T; Kobayashi, A; Otsubo, S; Komai, M; Magara, M; Otsubo, N Kyowa Kirin Co., Ltd. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50517126 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50517126&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 155530073 440725708 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51266180 CCCCN(Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)c1nc2cc(CC(=O)OC)ccc2o1 InChI=1S/C28H28N6O3/c1-3-4-15-34(28-29-24-16-20(17-26(35)36-2)11-14-25(24)37-28)18-19-9-12-21(13-10-19)22-7-5-6-8-23(22)27-30-32-33-31-27/h5-14,16H,3-4,15,17-18H2,1-2H3,(H,30,31,32,33) ONDKMHVLMLPZCK-UHFFFAOYSA-N 50517127 CHEMBL4522836 C-X-C chemokine receptor type 4 >10000 ChEMBL 10.1016/j.bmc.2019.115091 10.7270/Q2N30190 31521459 Imaizumi, T; Kobayashi, A; Otsubo, S; Komai, M; Magara, M; Otsubo, N Kyowa Kirin Co., Ltd. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50517127 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50517127&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 155543662 440725709 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51266184 CCCCN([C@H](C)c1ccc(cc1)-c1ccccc1-c1nnn[nH]1)c1nc2cc(NC(=O)N(C)C)ccc2o1 InChI=1S/C29H32N8O2/c1-5-6-17-37(29-31-25-18-22(15-16-26(25)39-29)30-28(38)36(3)4)19(2)20-11-13-21(14-12-20)23-9-7-8-10-24(23)27-32-34-35-33-27/h7-16,18-19H,5-6,17H2,1-4H3,(H,30,38)(H,32,33,34,35)/t19-/m1/s1 FTMPMNFUCSDIJH-LJQANCHMSA-N 50517131 CHEMBL4472664 C-X-C chemokine receptor type 4 >10000 ChEMBL 10.1016/j.bmc.2019.115091 10.7270/Q2N30190 31521459 Imaizumi, T; Kobayashi, A; Otsubo, S; Komai, M; Magara, M; Otsubo, N Kyowa Kirin Co., Ltd. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50517131 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50517131&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 155535988 440725713 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51266185 C(N(Cc1ccccn1)c1nc2ccccc2o1)c1ccc(cc1)-c1ccccc1-c1nnn[nH]1 InChI=1S/C27H21N7O/c1-2-9-23(26-30-32-33-31-26)22(8-1)20-14-12-19(13-15-20)17-34(18-21-7-5-6-16-28-21)27-29-24-10-3-4-11-25(24)35-27/h1-16H,17-18H2,(H,30,31,32,33) IJSQKMVQVAFWDN-UHFFFAOYSA-N 50517132 CHEMBL4458521 C-X-C chemokine receptor type 4 >10000 ChEMBL 10.1016/j.bmc.2019.115091 10.7270/Q2N30190 31521459 Imaizumi, T; Kobayashi, A; Otsubo, S; Komai, M; Magara, M; Otsubo, N Kyowa Kirin Co., Ltd. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50517132 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50517132&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 155526368 440725714 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51266206 CCCCN(C(CC)c1ccc(cc1)-c1ccccc1-c1nnn[nH]1)c1nc2ccccc2o1 InChI=1S/C27H28N6O/c1-3-5-18-33(27-28-23-12-8-9-13-25(23)34-27)24(4-2)20-16-14-19(15-17-20)21-10-6-7-11-22(21)26-29-31-32-30-26/h6-17,24H,3-5,18H2,1-2H3,(H,29,30,31,32) PFEPVQJOFADWCF-UHFFFAOYSA-N 50517135 CHEMBL4472121 C-X-C chemokine receptor type 4 8800 ChEMBL 10.1016/j.bmc.2019.115091 10.7270/Q2N30190 31521459 Imaizumi, T; Kobayashi, A; Otsubo, S; Komai, M; Magara, M; Otsubo, N Kyowa Kirin Co., Ltd. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50517135 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50517135&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 155535518 440725717 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51266207 CCCCN(C(C1CC1)c1ccc(cc1)-c1ccccc1-c1nnn[nH]1)c1nc2ccccc2o1 InChI=1S/C28H28N6O/c1-2-3-18-34(28-29-24-10-6-7-11-25(24)35-28)26(21-16-17-21)20-14-12-19(13-15-20)22-8-4-5-9-23(22)27-30-32-33-31-27/h4-15,21,26H,2-3,16-18H2,1H3,(H,30,31,32,33) XJAWLCUWSGXKIE-UHFFFAOYSA-N 50517146 CHEMBL4561076 C-X-C chemokine receptor type 4 >3000 ChEMBL 10.1016/j.bmc.2019.115091 10.7270/Q2N30190 31521459 Imaizumi, T; Kobayashi, A; Otsubo, S; Komai, M; Magara, M; Otsubo, N Kyowa Kirin Co., Ltd. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50517146 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50517146&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 155558601 440725728 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51266208 CCCCN(c1nc2ccccc2o1)C(C)(C)c1ccc(cc1)-c1ccccc1-c1nnn[nH]1 InChI=1S/C27H28N6O/c1-4-5-18-33(26-28-23-12-8-9-13-24(23)34-26)27(2,3)20-16-14-19(15-17-20)21-10-6-7-11-22(21)25-29-31-32-30-25/h6-17H,4-5,18H2,1-3H3,(H,29,30,31,32) YDVKDKYOZYNELY-UHFFFAOYSA-N 50517136 CHEMBL4442745 C-X-C chemokine receptor type 4 >10000 ChEMBL 10.1016/j.bmc.2019.115091 10.7270/Q2N30190 31521459 Imaizumi, T; Kobayashi, A; Otsubo, S; Komai, M; Magara, M; Otsubo, N Kyowa Kirin Co., Ltd. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50517136 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50517136&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 155516007 440725718 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51266209 CCCCN([C@@H](C)c1ccc(cc1)-c1ccccc1-c1nnn[nH]1)c1nc2ccccc2o1 InChI=1S/C26H26N6O/c1-3-4-17-32(26-27-23-11-7-8-12-24(23)33-26)18(2)19-13-15-20(16-14-19)21-9-5-6-10-22(21)25-28-30-31-29-25/h5-16,18H,3-4,17H2,1-2H3,(H,28,29,30,31)/t18-/m0/s1 XEHFWPJFUYLUSK-SFHVURJKSA-N 50517137 CHEMBL4457246 C-X-C chemokine receptor type 4 9900 ChEMBL 10.1016/j.bmc.2019.115091 10.7270/Q2N30190 31521459 Imaizumi, T; Kobayashi, A; Otsubo, S; Komai, M; Magara, M; Otsubo, N Kyowa Kirin Co., Ltd. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50517137 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50517137&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 155525712 440725719 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51266210 CCCCN([C@H](C)c1ccc(cc1)-c1ccccc1-c1nnn[nH]1)c1nc2cc(CC(=O)NC)ccc2o1 InChI=1S/C29H31N7O2/c1-4-5-16-36(29-31-25-17-20(18-27(37)30-3)10-15-26(25)38-29)19(2)21-11-13-22(14-12-21)23-8-6-7-9-24(23)28-32-34-35-33-28/h6-15,17,19H,4-5,16,18H2,1-3H3,(H,30,37)(H,32,33,34,35)/t19-/m1/s1 CAMCVOJYZMRDOG-LJQANCHMSA-N 50517128 CHEMBL4448308 C-X-C chemokine receptor type 4 >10000 ChEMBL 10.1016/j.bmc.2019.115091 10.7270/Q2N30190 31521459 Imaizumi, T; Kobayashi, A; Otsubo, S; Komai, M; Magara, M; Otsubo, N Kyowa Kirin Co., Ltd. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50517128 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50517128&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 155519637 440725710 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51266211 CCCCN([C@H](C)c1ccc(cc1)-c1ccccc1-c1nnn[nH]1)c1nc2cc(CNC(=O)NC)ccc2o1 InChI=1S/C29H32N8O2/c1-4-5-16-37(29-32-25-17-20(10-15-26(25)39-29)18-31-28(38)30-3)19(2)21-11-13-22(14-12-21)23-8-6-7-9-24(23)27-33-35-36-34-27/h6-15,17,19H,4-5,16,18H2,1-3H3,(H2,30,31,38)(H,33,34,35,36)/t19-/m1/s1 KFWLXBQVZWESCT-LJQANCHMSA-N 50517147 CHEMBL4575422 C-X-C chemokine receptor type 4 >10000 ChEMBL 10.1016/j.bmc.2019.115091 10.7270/Q2N30190 31521459 Imaizumi, T; Kobayashi, A; Otsubo, S; Komai, M; Magara, M; Otsubo, N Kyowa Kirin Co., Ltd. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50517147 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50517147&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 155563693 440725729 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51266212 CCCCN([C@H](C)c1ccc(cc1)-c1ccccc1-c1nnn[nH]1)c1nc2cc(NC(C)=O)ccc2o1 InChI=1S/C28H29N7O2/c1-4-5-16-35(28-30-25-17-22(29-19(3)36)14-15-26(25)37-28)18(2)20-10-12-21(13-11-20)23-8-6-7-9-24(23)27-31-33-34-32-27/h6-15,17-18H,4-5,16H2,1-3H3,(H,29,36)(H,31,32,33,34)/t18-/m1/s1 JEZROQYOPGEECH-GOSISDBHSA-N 50517130 CHEMBL4476788 C-X-C chemokine receptor type 4 >10000 ChEMBL 10.1016/j.bmc.2019.115091 10.7270/Q2N30190 31521459 Imaizumi, T; Kobayashi, A; Otsubo, S; Komai, M; Magara, M; Otsubo, N Kyowa Kirin Co., Ltd. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50517130 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50517130&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 155538662 440725712 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51266213 CCCCN([C@H](C)c1ccc(cc1)-c1ccccc1-c1nnn[nH]1)c1nc2cc(ccc2o1)C(=O)NC InChI=1S/C28H29N7O2/c1-4-5-16-35(28-30-24-17-21(27(36)29-3)14-15-25(24)37-28)18(2)19-10-12-20(13-11-19)22-8-6-7-9-23(22)26-31-33-34-32-26/h6-15,17-18H,4-5,16H2,1-3H3,(H,29,36)(H,31,32,33,34)/t18-/m1/s1 GZKNEPIIFJDVNG-GOSISDBHSA-N 50517133 CHEMBL4448632 C-X-C chemokine receptor type 4 >10000 ChEMBL 10.1016/j.bmc.2019.115091 10.7270/Q2N30190 31521459 Imaizumi, T; Kobayashi, A; Otsubo, S; Komai, M; Magara, M; Otsubo, N Kyowa Kirin Co., Ltd. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50517133 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50517133&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 155519352 440725715 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51266214 C(C1CCCC1)N(Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)c1nc2ccccc2o1 InChI=1S/C27H26N6O/c1-2-8-19(7-1)17-33(27-28-24-11-5-6-12-25(24)34-27)18-20-13-15-21(16-14-20)22-9-3-4-10-23(22)26-29-31-32-30-26/h3-6,9-16,19H,1-2,7-8,17-18H2,(H,29,30,31,32) HMTFEFNPGQVTJW-UHFFFAOYSA-N 50517148 CHEMBL4593522 C-X-C chemokine receptor type 4 3500 ChEMBL 10.1016/j.bmc.2019.115091 10.7270/Q2N30190 31521459 Imaizumi, T; Kobayashi, A; Otsubo, S; Komai, M; Magara, M; Otsubo, N Kyowa Kirin Co., Ltd. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50517148 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50517148&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 155569501 440725730 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51266215 COCCN(Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)c1nc2ccccc2o1 InChI=1S/C24H22N6O2/c1-31-15-14-30(24-25-21-8-4-5-9-22(21)32-24)16-17-10-12-18(13-11-17)19-6-2-3-7-20(19)23-26-28-29-27-23/h2-13H,14-16H2,1H3,(H,26,27,28,29) RBMUOYHPMRBMRE-UHFFFAOYSA-N 50517129 CHEMBL4539132 C-X-C chemokine receptor type 4 >10000 ChEMBL 10.1016/j.bmc.2019.115091 10.7270/Q2N30190 31521459 Imaizumi, T; Kobayashi, A; Otsubo, S; Komai, M; Magara, M; Otsubo, N Kyowa Kirin Co., Ltd. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50517129 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50517129&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 155550204 440725711 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51266216 C(N(Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)c1nc2ccccc2o1)c1ccncc1 InChI=1S/C27H21N7O/c1-2-6-23(26-30-32-33-31-26)22(5-1)21-11-9-19(10-12-21)17-34(18-20-13-15-28-16-14-20)27-29-24-7-3-4-8-25(24)35-27/h1-16H,17-18H2,(H,30,31,32,33) VHPIVYWHDCPOSX-UHFFFAOYSA-N 50517142 CHEMBL4566228 C-X-C chemokine receptor type 4 >10000 ChEMBL 10.1016/j.bmc.2019.115091 10.7270/Q2N30190 31521459 Imaizumi, T; Kobayashi, A; Otsubo, S; Komai, M; Magara, M; Otsubo, N Kyowa Kirin Co., Ltd. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50517142 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50517142&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 155561023 440725724 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51266217 CCCCN(Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)c1nc2cc(C)ccc2o1 InChI=1S/C26H26N6O/c1-3-4-15-32(26-27-23-16-18(2)9-14-24(23)33-26)17-19-10-12-20(13-11-19)21-7-5-6-8-22(21)25-28-30-31-29-25/h5-14,16H,3-4,15,17H2,1-2H3,(H,28,29,30,31) AWLAWBNOZKJSML-UHFFFAOYSA-N 50517125 CHEMBL4474605 C-X-C chemokine receptor type 4 8600 ChEMBL 10.1016/j.bmc.2019.115091 10.7270/Q2N30190 31521459 Imaizumi, T; Kobayashi, A; Otsubo, S; Komai, M; Magara, M; Otsubo, N Kyowa Kirin Co., Ltd. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50517125 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50517125&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 155537257 440725707 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51266218 CCCCN(Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)c1nc2cc(Cl)cc(Cl)c2o1 InChI=1S/C25H22Cl2N6O/c1-2-3-12-33(25-28-22-14-18(26)13-21(27)23(22)34-25)15-16-8-10-17(11-9-16)19-6-4-5-7-20(19)24-29-31-32-30-24/h4-11,13-14H,2-3,12,15H2,1H3,(H,29,30,31,32) RIRQEBNEBGRASB-UHFFFAOYSA-N 50517149 CHEMBL4447627 C-X-C chemokine receptor type 4 2900 ChEMBL 10.1016/j.bmc.2019.115091 10.7270/Q2N30190 31521459 Imaizumi, T; Kobayashi, A; Otsubo, S; Komai, M; Magara, M; Otsubo, N Kyowa Kirin Co., Ltd. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50517149 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50517149&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 155519969 440725731 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51266219 CCCCN(Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)c1nc2cc(ccc2o1)C(=O)OC InChI=1S/C27H26N6O3/c1-3-4-15-33(27-28-23-16-20(26(34)35-2)13-14-24(23)36-27)17-18-9-11-19(12-10-18)21-7-5-6-8-22(21)25-29-31-32-30-25/h5-14,16H,3-4,15,17H2,1-2H3,(H,29,30,31,32) SIRUESMRMAUACO-UHFFFAOYSA-N 50517145 CHEMBL4578235 C-X-C chemokine receptor type 4 >10000 ChEMBL 10.1016/j.bmc.2019.115091 10.7270/Q2N30190 31521459 Imaizumi, T; Kobayashi, A; Otsubo, S; Komai, M; Magara, M; Otsubo, N Kyowa Kirin Co., Ltd. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50517145 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50517145&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 155564611 440725727 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51266220 CCCCN(Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)c1nc2cc(CC(=O)NC)ccc2o1 InChI=1S/C28H29N7O2/c1-3-4-15-35(28-30-24-16-20(17-26(36)29-2)11-14-25(24)37-28)18-19-9-12-21(13-10-19)22-7-5-6-8-23(22)27-31-33-34-32-27/h5-14,16H,3-4,15,17-18H2,1-2H3,(H,29,36)(H,31,32,33,34) NZJQCLYGUUIOPI-UHFFFAOYSA-N 50517150 CHEMBL4538515 C-X-C chemokine receptor type 4 >10000 ChEMBL 10.1016/j.bmc.2019.115091 10.7270/Q2N30190 31521459 Imaizumi, T; Kobayashi, A; Otsubo, S; Komai, M; Magara, M; Otsubo, N Kyowa Kirin Co., Ltd. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50517150 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50517150&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 155548932 440725732 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51266242 CCCCN([C@H](C)c1ccc(cc1)-c1ccccc1-c1nnn[nH]1)c1nc2cc(NC(N)=O)ccc2o1 InChI=1S/C27H28N8O2/c1-3-4-15-35(27-30-23-16-20(29-26(28)36)13-14-24(23)37-27)17(2)18-9-11-19(12-10-18)21-7-5-6-8-22(21)25-31-33-34-32-25/h5-14,16-17H,3-4,15H2,1-2H3,(H3,28,29,36)(H,31,32,33,34)/t17-/m1/s1 VIQGYPGUMPQHII-QGZVFWFLSA-N 50517152 CHEMBL4527534 C-X-C chemokine receptor type 4 >10000 ChEMBL 10.1016/j.bmc.2019.115091 10.7270/Q2N30190 31521459 Imaizumi, T; Kobayashi, A; Otsubo, S; Komai, M; Magara, M; Otsubo, N Kyowa Kirin Co., Ltd. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50517152 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50517152&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 155544237 440725734 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51266244 C(N(Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)c1nc2ccccc2o1)c1ccccc1 InChI=1S/C28H22N6O/c1-2-8-20(9-3-1)18-34(28-29-25-12-6-7-13-26(25)35-28)19-21-14-16-22(17-15-21)23-10-4-5-11-24(23)27-30-32-33-31-27/h1-17H,18-19H2,(H,30,31,32,33) ZWJASUOCICKQSR-UHFFFAOYSA-N 50517141 CHEMBL4552485 C-X-C chemokine receptor type 4 9600 ChEMBL 10.1016/j.bmc.2019.115091 10.7270/Q2N30190 31521459 Imaizumi, T; Kobayashi, A; Otsubo, S; Komai, M; Magara, M; Otsubo, N Kyowa Kirin Co., Ltd. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50517141 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50517141&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 155554813 440725723 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51266247 CCCCN(Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)c1nc2cc(Cl)cc(C)c2o1 InChI=1S/C26H25ClN6O/c1-3-4-13-33(26-28-23-15-20(27)14-17(2)24(23)34-26)16-18-9-11-19(12-10-18)21-7-5-6-8-22(21)25-29-31-32-30-25/h5-12,14-15H,3-4,13,16H2,1-2H3,(H,29,30,31,32) CFNYGJPKAJCXRK-UHFFFAOYSA-N 50517144 CHEMBL4586253 C-X-C chemokine receptor type 4 3900 ChEMBL 10.1016/j.bmc.2019.115091 10.7270/Q2N30190 31521459 Imaizumi, T; Kobayashi, A; Otsubo, S; Komai, M; Magara, M; Otsubo, N Kyowa Kirin Co., Ltd. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50517144 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50517144&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 155567133 440725726 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51266256 CCCCN(Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)c1nc2ccccc2o1 InChI=1S/C25H24N6O/c1-2-3-16-31(25-26-22-10-6-7-11-23(22)32-25)17-18-12-14-19(15-13-18)20-8-4-5-9-21(20)24-27-29-30-28-24/h4-15H,2-3,16-17H2,1H3,(H,27,28,29,30) SMBCWOAXSPIQSZ-UHFFFAOYSA-N 50517134 CHEMBL4446260 C-X-C chemokine receptor type 4 9700 ChEMBL 10.1016/j.bmc.2019.115091 10.7270/Q2N30190 31521459 Imaizumi, T; Kobayashi, A; Otsubo, S; Komai, M; Magara, M; Otsubo, N Kyowa Kirin Co., Ltd. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50517134 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50517134&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 155518713 440725716 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51266257 CCCCN([C@H](C)c1ccc(cc1)-c1ccccc1-c1nnn[nH]1)c1nc2ccccc2o1 InChI=1S/C26H26N6O/c1-3-4-17-32(26-27-23-11-7-8-12-24(23)33-26)18(2)19-13-15-20(16-14-19)21-9-5-6-10-22(21)25-28-30-31-29-25/h5-16,18H,3-4,17H2,1-2H3,(H,28,29,30,31)/t18-/m1/s1 XEHFWPJFUYLUSK-GOSISDBHSA-N 50517151 CHEMBL4467290 C-X-C chemokine receptor type 4 8700 ChEMBL 10.1016/j.bmc.2019.115091 10.7270/Q2N30190 31521459 Imaizumi, T; Kobayashi, A; Otsubo, S; Komai, M; Magara, M; Otsubo, N Kyowa Kirin Co., Ltd. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50517151 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50517151&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 155531953 440725733 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51266258 CCCCN([C@H](C)c1ccc(cc1)-c1ccccc1-c1nnn[nH]1)c1nc2cc(NC(=O)NC)ccc2o1 InChI=1S/C28H30N8O2/c1-4-5-16-36(28-31-24-17-21(30-27(37)29-3)14-15-25(24)38-28)18(2)19-10-12-20(13-11-19)22-8-6-7-9-23(22)26-32-34-35-33-26/h6-15,17-18H,4-5,16H2,1-3H3,(H2,29,30,37)(H,32,33,34,35)/t18-/m1/s1 BMVNOIQEOAAUNH-GOSISDBHSA-N 50517138 CHEMBL4557657 C-X-C chemokine receptor type 4 >10000 ChEMBL 10.1016/j.bmc.2019.115091 10.7270/Q2N30190 31521459 Imaizumi, T; Kobayashi, A; Otsubo, S; Komai, M; Magara, M; Otsubo, N Kyowa Kirin Co., Ltd. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50517138 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50517138&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 155554828 440725720 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51266259 CCCCCN(Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)c1nc2ccccc2o1 InChI=1S/C26H26N6O/c1-2-3-8-17-32(26-27-23-11-6-7-12-24(23)33-26)18-19-13-15-20(16-14-19)21-9-4-5-10-22(21)25-28-30-31-29-25/h4-7,9-16H,2-3,8,17-18H2,1H3,(H,28,29,30,31) WEFILENRRMUMNI-UHFFFAOYSA-N 50517140 CHEMBL4476545 C-X-C chemokine receptor type 4 5600 ChEMBL 10.1016/j.bmc.2019.115091 10.7270/Q2N30190 31521459 Imaizumi, T; Kobayashi, A; Otsubo, S; Komai, M; Magara, M; Otsubo, N Kyowa Kirin Co., Ltd. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50517140 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50517140&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 155538284 440725722 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51266260 C(N(Cc1cccnc1)c1nc2ccccc2o1)c1ccc(cc1)-c1ccccc1-c1nnn[nH]1 InChI=1S/C27H21N7O/c1-2-8-23(26-30-32-33-31-26)22(7-1)21-13-11-19(12-14-21)17-34(18-20-6-5-15-28-16-20)27-29-24-9-3-4-10-25(24)35-27/h1-16H,17-18H2,(H,30,31,32,33) FAUHOGKSGCQHMA-UHFFFAOYSA-N 50517153 CHEMBL4534314 C-X-C chemokine receptor type 4 >10000 ChEMBL 10.1016/j.bmc.2019.115091 10.7270/Q2N30190 31521459 Imaizumi, T; Kobayashi, A; Otsubo, S; Komai, M; Magara, M; Otsubo, N Kyowa Kirin Co., Ltd. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50517153 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50517153&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 155546659 440725735 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51266261 CCCCN(Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)c1nc2cc(Cl)c(C)cc2o1 InChI=1S/C26H25ClN6O/c1-3-4-13-33(26-28-23-15-22(27)17(2)14-24(23)34-26)16-18-9-11-19(12-10-18)20-7-5-6-8-21(20)25-29-31-32-30-25/h5-12,14-15H,3-4,13,16H2,1-2H3,(H,29,30,31,32) LZNXRNMXECYGRU-UHFFFAOYSA-N 50517143 CHEMBL4549880 C-X-C chemokine receptor type 4 5500 ChEMBL 10.1016/j.bmc.2019.115091 10.7270/Q2N30190 31521459 Imaizumi, T; Kobayashi, A; Otsubo, S; Komai, M; Magara, M; Otsubo, N Kyowa Kirin Co., Ltd. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50517143 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50517143&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 155550367 440725725 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51276802 NCC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 InChI=1S/C13H18Cl2N2/c14-12-2-1-11(7-13(12)15)9-17-5-3-10(8-16)4-6-17/h1-2,7,10H,3-6,8-9,16H2 UBIHINRVQFQDQN-UHFFFAOYSA-N 50521141 CHEMBL4454166 C-X-C chemokine receptor type 4 <10000 ChEMBL 10.1016/j.ejmech.2018.10.060 10.7270/Q2VD72V6 30476826 Adlere, I; Sun, S; Zarca, A; Roumen, L; Gozelle, M; Viciano, CP; Caspar, B; Arimont, M; Bebelman, JP; Briddon, SJ; Hoffmann, C; Hill, SJ; Smit, MJ; Vischer, HF; Wijtmans, M; de Graaf, C; de Esch, IJP; Leurs, R Griffin Discoveries BV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50521141 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50521141&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 43130924 440729723 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51276803 OC(=O)\C=C\C(O)=O.Clc1ccccc1CN1CCC(CNCc2cccc(c2)-c2ccccc2)CC1 InChI=1S/C26H29ClN2.C4H4O4/c27-26-12-5-4-10-25(26)20-29-15-13-21(14-16-29)18-28-19-22-7-6-11-24(17-22)23-8-2-1-3-9-23;5-3(6)1-2-4(7)8/h1-12,17,21,28H,13-16,18-20H2;1-2H,(H,5,6)(H,7,8)/b;2-1+ ULDICFKROAUEGV-WLHGVMLRSA-N 50521142 CHEMBL4438964 C-X-C chemokine receptor type 4 2512 ChEMBL 10.1016/j.ejmech.2018.10.060 10.7270/Q2VD72V6 30476826 Adlere, I; Sun, S; Zarca, A; Roumen, L; Gozelle, M; Viciano, CP; Caspar, B; Arimont, M; Bebelman, JP; Briddon, SJ; Hoffmann, C; Hill, SJ; Smit, MJ; Vischer, HF; Wijtmans, M; de Graaf, C; de Esch, IJP; Leurs, R Griffin Discoveries BV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50521142 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50521142&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 155513527 440729724 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51276804 Oc1ccc(CNCC2CCN(Cc3ccccc3Cl)CC2)cc1 InChI=1S/C20H25ClN2O/c21-20-4-2-1-3-18(20)15-23-11-9-17(10-12-23)14-22-13-16-5-7-19(24)8-6-16/h1-8,17,22,24H,9-15H2 IMGARLKLXRAYLI-UHFFFAOYSA-N 50521143 CHEMBL4557428 C-X-C chemokine receptor type 4 316 ChEMBL 10.1016/j.ejmech.2018.10.060 10.7270/Q2VD72V6 30476826 Adlere, I; Sun, S; Zarca, A; Roumen, L; Gozelle, M; Viciano, CP; Caspar, B; Arimont, M; Bebelman, JP; Briddon, SJ; Hoffmann, C; Hill, SJ; Smit, MJ; Vischer, HF; Wijtmans, M; de Graaf, C; de Esch, IJP; Leurs, R Griffin Discoveries BV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50521143 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50521143&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 155554725 440729725 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51276805 CC1(C)CN2C(CS\C(NC3CCCCC3)=N/C3CCCCC3)=CSC2=N1 InChI=1S/C21H34N4S2/c1-21(2)15-25-18(14-27-20(25)24-21)13-26-19(22-16-9-5-3-6-10-16)23-17-11-7-4-8-12-17/h14,16-17H,3-13,15H2,1-2H3,(H,22,23) OOSUDWRRWZVFEB-UHFFFAOYSA-N 50247128 (6,6-dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)methyl N,N'-dicyclohexylimidothiocarbamate::1,3-dicyclohexyl-2-((6,6-dimethyl-5,6-dihydroimidazo[2,1-b]thiazol-3-yl)methyl)isothiourea::CHEMBL460491 C-X-C chemokine receptor type 4 50 ChEMBL 10.1016/j.ejmech.2018.10.060 10.7270/Q2VD72V6 30476826 Adlere, I; Sun, S; Zarca, A; Roumen, L; Gozelle, M; Viciano, CP; Caspar, B; Arimont, M; Bebelman, JP; Briddon, SJ; Hoffmann, C; Hill, SJ; Smit, MJ; Vischer, HF; Wijtmans, M; de Graaf, C; de Esch, IJP; Leurs, R Griffin Discoveries BV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50247128 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50247128&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search ITD 3OE6,3OE9,3OE8,3ODU 25147749 104102288 CHEMBL460491 2899 ZINC96319476 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51276806 Clc1ccccc1CN1CCC(CNCc2ccccc2)CC1 InChI=1S/C20H25ClN2/c21-20-9-5-4-8-19(20)16-23-12-10-18(11-13-23)15-22-14-17-6-2-1-3-7-17/h1-9,18,22H,10-16H2 DLDJTHHLHVBYOQ-UHFFFAOYSA-N 50521144 CHEMBL4514484 C-X-C chemokine receptor type 4 3981 ChEMBL 10.1016/j.ejmech.2018.10.060 10.7270/Q2VD72V6 30476826 Adlere, I; Sun, S; Zarca, A; Roumen, L; Gozelle, M; Viciano, CP; Caspar, B; Arimont, M; Bebelman, JP; Briddon, SJ; Hoffmann, C; Hill, SJ; Smit, MJ; Vischer, HF; Wijtmans, M; de Graaf, C; de Esch, IJP; Leurs, R Griffin Discoveries BV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50521144 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50521144&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 155539331 440729726 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51276807 Cc1cccc(CNCC2CCN(Cc3cccc(Cl)c3Cl)CC2)c1 InChI=1S/C21H26Cl2N2/c1-16-4-2-5-18(12-16)14-24-13-17-8-10-25(11-9-17)15-19-6-3-7-20(22)21(19)23/h2-7,12,17,24H,8-11,13-15H2,1H3 DTHZVMDDMCONIB-UHFFFAOYSA-N 50521145 CHEMBL4548557 C-X-C chemokine receptor type 4 794 ChEMBL 10.1016/j.ejmech.2018.10.060 10.7270/Q2VD72V6 30476826 Adlere, I; Sun, S; Zarca, A; Roumen, L; Gozelle, M; Viciano, CP; Caspar, B; Arimont, M; Bebelman, JP; Briddon, SJ; Hoffmann, C; Hill, SJ; Smit, MJ; Vischer, HF; Wijtmans, M; de Graaf, C; de Esch, IJP; Leurs, R Griffin Discoveries BV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50521145 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50521145&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 155549012 440729727 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51276808 Cc1cccc(CNCC2CCN(Cc3ccc(Cl)cc3)CC2)c1 InChI=1S/C21H27ClN2/c1-17-3-2-4-20(13-17)15-23-14-18-9-11-24(12-10-18)16-19-5-7-21(22)8-6-19/h2-8,13,18,23H,9-12,14-16H2,1H3 DQJUWAOAIZYJEI-UHFFFAOYSA-N 50521146 CHEMBL4460308 C-X-C chemokine receptor type 4 10000 ChEMBL 10.1016/j.ejmech.2018.10.060 10.7270/Q2VD72V6 30476826 Adlere, I; Sun, S; Zarca, A; Roumen, L; Gozelle, M; Viciano, CP; Caspar, B; Arimont, M; Bebelman, JP; Briddon, SJ; Hoffmann, C; Hill, SJ; Smit, MJ; Vischer, HF; Wijtmans, M; de Graaf, C; de Esch, IJP; Leurs, R Griffin Discoveries BV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50521146 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50521146&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 155527692 440729728 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51276809 Cc1cccc(CNCC2CCN(Cc3cccc(Cl)c3)CC2)c1 InChI=1S/C21H27ClN2/c1-17-4-2-5-19(12-17)15-23-14-18-8-10-24(11-9-18)16-20-6-3-7-21(22)13-20/h2-7,12-13,18,23H,8-11,14-16H2,1H3 OOEPLNALQGCYGJ-UHFFFAOYSA-N 50521147 CHEMBL4585203 C-X-C chemokine receptor type 4 2512 ChEMBL 10.1016/j.ejmech.2018.10.060 10.7270/Q2VD72V6 30476826 Adlere, I; Sun, S; Zarca, A; Roumen, L; Gozelle, M; Viciano, CP; Caspar, B; Arimont, M; Bebelman, JP; Briddon, SJ; Hoffmann, C; Hill, SJ; Smit, MJ; Vischer, HF; Wijtmans, M; de Graaf, C; de Esch, IJP; Leurs, R Griffin Discoveries BV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50521147 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50521147&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 155562280 440729729 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51276810 Cc1ccccc1CNCC1CCN(Cc2ccccc2Cl)CC1 InChI=1S/C21H27ClN2/c1-17-6-2-3-7-19(17)15-23-14-18-10-12-24(13-11-18)16-20-8-4-5-9-21(20)22/h2-9,18,23H,10-16H2,1H3 PCFIXLAJIDZRHS-UHFFFAOYSA-N 50521148 CHEMBL4444949 C-X-C chemokine receptor type 4 251 ChEMBL 10.1016/j.ejmech.2018.10.060 10.7270/Q2VD72V6 30476826 Adlere, I; Sun, S; Zarca, A; Roumen, L; Gozelle, M; Viciano, CP; Caspar, B; Arimont, M; Bebelman, JP; Briddon, SJ; Hoffmann, C; Hill, SJ; Smit, MJ; Vischer, HF; Wijtmans, M; de Graaf, C; de Esch, IJP; Leurs, R Griffin Discoveries BV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50521148 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50521148&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 155517575 440729730 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51276811 Cc1ccc(CNCC2CCN(Cc3ccccc3Cl)CC2)cc1 InChI=1S/C21H27ClN2/c1-17-6-8-18(9-7-17)14-23-15-19-10-12-24(13-11-19)16-20-4-2-3-5-21(20)22/h2-9,19,23H,10-16H2,1H3 ZHZUFQUENQYJMH-UHFFFAOYSA-N 50521149 CHEMBL4529593 C-X-C chemokine receptor type 4 1000 ChEMBL 10.1016/j.ejmech.2018.10.060 10.7270/Q2VD72V6 30476826 Adlere, I; Sun, S; Zarca, A; Roumen, L; Gozelle, M; Viciano, CP; Caspar, B; Arimont, M; Bebelman, JP; Briddon, SJ; Hoffmann, C; Hill, SJ; Smit, MJ; Vischer, HF; Wijtmans, M; de Graaf, C; de Esch, IJP; Leurs, R Griffin Discoveries BV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50521149 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50521149&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 155545540 440729731 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51276812 OC(=O)\C=C\C(O)=O.Clc1ccccc1CN1CCC(CNCc2cccc(c2)-c2ccccc2)CC1 InChI=1S/C26H29ClN2.C4H4O4/c27-26-12-5-4-10-25(26)20-29-15-13-21(14-16-29)18-28-19-22-7-6-11-24(17-22)23-8-2-1-3-9-23;5-3(6)1-2-4(7)8/h1-12,17,21,28H,13-16,18-20H2;1-2H,(H,5,6)(H,7,8)/b;2-1+ ULDICFKROAUEGV-WLHGVMLRSA-N 50521142 CHEMBL4438964 C-X-C chemokine receptor type 4 501 ChEMBL 10.1016/j.ejmech.2018.10.060 10.7270/Q2VD72V6 30476826 Adlere, I; Sun, S; Zarca, A; Roumen, L; Gozelle, M; Viciano, CP; Caspar, B; Arimont, M; Bebelman, JP; Briddon, SJ; Hoffmann, C; Hill, SJ; Smit, MJ; Vischer, HF; Wijtmans, M; de Graaf, C; de Esch, IJP; Leurs, R Griffin Discoveries BV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50521142 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50521142&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 155513527 440729724 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51276813 COc1ccc(CNCC2CCN(Cc3ccccc3Cl)CC2)cc1 InChI=1S/C21H27ClN2O/c1-25-20-8-6-17(7-9-20)14-23-15-18-10-12-24(13-11-18)16-19-4-2-3-5-21(19)22/h2-9,18,23H,10-16H2,1H3 QEALCJPEKKTIKF-UHFFFAOYSA-N 50521150 CHEMBL4463569 C-X-C chemokine receptor type 4 1259 ChEMBL 10.1016/j.ejmech.2018.10.060 10.7270/Q2VD72V6 30476826 Adlere, I; Sun, S; Zarca, A; Roumen, L; Gozelle, M; Viciano, CP; Caspar, B; Arimont, M; Bebelman, JP; Briddon, SJ; Hoffmann, C; Hill, SJ; Smit, MJ; Vischer, HF; Wijtmans, M; de Graaf, C; de Esch, IJP; Leurs, R Griffin Discoveries BV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50521150 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50521150&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 155529939 440729732 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51276814 Clc1ccccc1CN1CCC(CNCc2cccnc2)CC1 InChI=1S/C19H24ClN3/c20-19-6-2-1-5-18(19)15-23-10-7-16(8-11-23)12-22-14-17-4-3-9-21-13-17/h1-6,9,13,16,22H,7-8,10-12,14-15H2 QSDJJIRLYKKACF-UHFFFAOYSA-N 50521151 CHEMBL4526858 C-X-C chemokine receptor type 4 1995 ChEMBL 10.1016/j.ejmech.2018.10.060 10.7270/Q2VD72V6 30476826 Adlere, I; Sun, S; Zarca, A; Roumen, L; Gozelle, M; Viciano, CP; Caspar, B; Arimont, M; Bebelman, JP; Briddon, SJ; Hoffmann, C; Hill, SJ; Smit, MJ; Vischer, HF; Wijtmans, M; de Graaf, C; de Esch, IJP; Leurs, R Griffin Discoveries BV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50521151 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50521151&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 155544179 440729733 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51276815 Clc1ccccc1CN1CCC(CNCc2ccccc2)CC1 InChI=1S/C20H25ClN2/c21-20-9-5-4-8-19(20)16-23-12-10-18(11-13-23)15-22-14-17-6-2-1-3-7-17/h1-9,18,22H,10-16H2 DLDJTHHLHVBYOQ-UHFFFAOYSA-N 50521144 CHEMBL4514484 C-X-C chemokine receptor type 4 316 ChEMBL 10.1016/j.ejmech.2018.10.060 10.7270/Q2VD72V6 30476826 Adlere, I; Sun, S; Zarca, A; Roumen, L; Gozelle, M; Viciano, CP; Caspar, B; Arimont, M; Bebelman, JP; Briddon, SJ; Hoffmann, C; Hill, SJ; Smit, MJ; Vischer, HF; Wijtmans, M; de Graaf, C; de Esch, IJP; Leurs, R Griffin Discoveries BV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50521144 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50521144&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 155539331 440729726 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51276816 COc1ccccc1CN1CCC(CNCc2ccccc2)CC1 InChI=1S/C21H28N2O/c1-24-21-10-6-5-9-20(21)17-23-13-11-19(12-14-23)16-22-15-18-7-3-2-4-8-18/h2-10,19,22H,11-17H2,1H3 INCIFYYFHUQREC-UHFFFAOYSA-N 50521152 CHEMBL4465129 C-X-C chemokine receptor type 4 2512 ChEMBL 10.1016/j.ejmech.2018.10.060 10.7270/Q2VD72V6 30476826 Adlere, I; Sun, S; Zarca, A; Roumen, L; Gozelle, M; Viciano, CP; Caspar, B; Arimont, M; Bebelman, JP; Briddon, SJ; Hoffmann, C; Hill, SJ; Smit, MJ; Vischer, HF; Wijtmans, M; de Graaf, C; de Esch, IJP; Leurs, R Griffin Discoveries BV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50521152 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50521152&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 155530935 440729734 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51276817 C(NCc1ccccc1)C1CCN(Cc2ccccc2)CC1 InChI=1S/C20H26N2/c1-3-7-18(8-4-1)15-21-16-19-11-13-22(14-12-19)17-20-9-5-2-6-10-20/h1-10,19,21H,11-17H2 ONAOYLIDWZWIIL-UHFFFAOYSA-N 50521153 CHEMBL4463684 C-X-C chemokine receptor type 4 10000 ChEMBL 10.1016/j.ejmech.2018.10.060 10.7270/Q2VD72V6 30476826 Adlere, I; Sun, S; Zarca, A; Roumen, L; Gozelle, M; Viciano, CP; Caspar, B; Arimont, M; Bebelman, JP; Briddon, SJ; Hoffmann, C; Hill, SJ; Smit, MJ; Vischer, HF; Wijtmans, M; de Graaf, C; de Esch, IJP; Leurs, R Griffin Discoveries BV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50521153 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50521153&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 16459886 440729735 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51276818 NCCC1CCN(Cc2ccccc2Cl)CC1 InChI=1S/C14H21ClN2/c15-14-4-2-1-3-13(14)11-17-9-6-12(5-8-16)7-10-17/h1-4,12H,5-11,16H2 DPHIAGYHJIWQDO-UHFFFAOYSA-N 50521154 CHEMBL4443602 C-X-C chemokine receptor type 4 <10000 ChEMBL 10.1016/j.ejmech.2018.10.060 10.7270/Q2VD72V6 30476826 Adlere, I; Sun, S; Zarca, A; Roumen, L; Gozelle, M; Viciano, CP; Caspar, B; Arimont, M; Bebelman, JP; Briddon, SJ; Hoffmann, C; Hill, SJ; Smit, MJ; Vischer, HF; Wijtmans, M; de Graaf, C; de Esch, IJP; Leurs, R Griffin Discoveries BV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50521154 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50521154&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 17221518 440729736 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51276819 Cc1ccccc1CN1CCC(CN)CC1 InChI=1S/C14H22N2/c1-12-4-2-3-5-14(12)11-16-8-6-13(10-15)7-9-16/h2-5,13H,6-11,15H2,1H3 GWPCEKVJSLDCLT-UHFFFAOYSA-N 50521155 CHEMBL4461446 C-X-C chemokine receptor type 4 <10000 ChEMBL 10.1016/j.ejmech.2018.10.060 10.7270/Q2VD72V6 30476826 Adlere, I; Sun, S; Zarca, A; Roumen, L; Gozelle, M; Viciano, CP; Caspar, B; Arimont, M; Bebelman, JP; Briddon, SJ; Hoffmann, C; Hill, SJ; Smit, MJ; Vischer, HF; Wijtmans, M; de Graaf, C; de Esch, IJP; Leurs, R Griffin Discoveries BV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50521155 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50521155&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 1259151 440729737 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51276820 CC1(C)CN2C(CS\C(NC3CCCCC3)=N/C3CCCCC3)=CSC2=N1 InChI=1S/C21H34N4S2/c1-21(2)15-25-18(14-27-20(25)24-21)13-26-19(22-16-9-5-3-6-10-16)23-17-11-7-4-8-12-17/h14,16-17H,3-13,15H2,1-2H3,(H,22,23) OOSUDWRRWZVFEB-UHFFFAOYSA-N 50247128 (6,6-dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)methyl N,N'-dicyclohexylimidothiocarbamate::1,3-dicyclohexyl-2-((6,6-dimethyl-5,6-dihydroimidazo[2,1-b]thiazol-3-yl)methyl)isothiourea::CHEMBL460491 C-X-C chemokine receptor type 4 10.0 ChEMBL 10.1016/j.ejmech.2018.10.060 10.7270/Q2VD72V6 30476826 Adlere, I; Sun, S; Zarca, A; Roumen, L; Gozelle, M; Viciano, CP; Caspar, B; Arimont, M; Bebelman, JP; Briddon, SJ; Hoffmann, C; Hill, SJ; Smit, MJ; Vischer, HF; Wijtmans, M; de Graaf, C; de Esch, IJP; Leurs, R Griffin Discoveries BV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50247128 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50247128&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search ITD 3OE6,3OE9,3OE8,3ODU 25147749 104102288 CHEMBL460491 2899 ZINC96319476 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51276821 C(N1CCCNCCNCCCNCC1)c1ccc(CN2CCCNCCNCCCNCC2)cc1 InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2 YIQPUIGJQJDJOS-UHFFFAOYSA-N 50035696 1,1''-{1,4-phenylenebis(methylene)}-bis{1,4,8,11-tetraaza-cyclotetradecane}::1,4,8,11-tetraazacyclotetradecanyl[4-(1,4,8,11-tetraazacyclotetradecanylmethyl)phenyl]methane::1,4,8,11-tetraazacyclotetradecanyl[4-(1,4,8,11-tetraazacyclotetradecanylmethyl)phenyl]methane(8HBr.2H2O)::1,4-bis((1,4,8,11-tetraazacyclotetradecan-1-yl)methyl)benzene::11''-xylyl bis-1,4,8,11-tetraazacyclotetradecane::11-{4-[4,8, 11-1,4,8,11tetraaza-cyclotetradec-1-ylmethyl]-benzyl}-1,4,8,11tetraaza-cyclotetradecane-1,4,8-tricarboxylic acid tri-tert-butyl ester::AMD-3100::CHEMBL18442::CHEMBL2311089::PLERIXAFOR::PLERIXAFOR OCTAHYDROCHLORIDE::US9205085, MSX-162 C-X-C chemokine receptor type 4 200 ChEMBL 10.1016/j.ejmech.2018.10.060 10.7270/Q2VD72V6 30476826 Adlere, I; Sun, S; Zarca, A; Roumen, L; Gozelle, M; Viciano, CP; Caspar, B; Arimont, M; Bebelman, JP; Briddon, SJ; Hoffmann, C; Hill, SJ; Smit, MJ; Vischer, HF; Wijtmans, M; de Graaf, C; de Esch, IJP; Leurs, R Griffin Discoveries BV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50035696 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50035696&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 65015 103943663 CHEMBL2311089CHEMBL18442 DB06809 844 ZINC22443609 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51276822 Cc1cccc(CNCC2CCN(Cc3ccccc3Cl)CC2)c1 InChI=1S/C21H27ClN2/c1-17-5-4-6-19(13-17)15-23-14-18-9-11-24(12-10-18)16-20-7-2-3-8-21(20)22/h2-8,13,18,23H,9-12,14-16H2,1H3 JFSVPTKSONMNBC-UHFFFAOYSA-N 50521156 CHEMBL4452433 C-X-C chemokine receptor type 4 1000 ChEMBL 10.1016/j.ejmech.2018.10.060 10.7270/Q2VD72V6 30476826 Adlere, I; Sun, S; Zarca, A; Roumen, L; Gozelle, M; Viciano, CP; Caspar, B; Arimont, M; Bebelman, JP; Briddon, SJ; Hoffmann, C; Hill, SJ; Smit, MJ; Vischer, HF; Wijtmans, M; de Graaf, C; de Esch, IJP; Leurs, R Griffin Discoveries BV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50521156 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50521156&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 155523400 440729738 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51276823 Oc1ccc(CN2CCC(CNCc3ccccc3)CC2)cc1 InChI=1S/C20H26N2O/c23-20-8-6-19(7-9-20)16-22-12-10-18(11-13-22)15-21-14-17-4-2-1-3-5-17/h1-9,18,21,23H,10-16H2 DIJFWKULIZOLEH-UHFFFAOYSA-N 50521157 CHEMBL4531030 C-X-C chemokine receptor type 4 <31623 ChEMBL 10.1016/j.ejmech.2018.10.060 10.7270/Q2VD72V6 30476826 Adlere, I; Sun, S; Zarca, A; Roumen, L; Gozelle, M; Viciano, CP; Caspar, B; Arimont, M; Bebelman, JP; Briddon, SJ; Hoffmann, C; Hill, SJ; Smit, MJ; Vischer, HF; Wijtmans, M; de Graaf, C; de Esch, IJP; Leurs, R Griffin Discoveries BV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50521157 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50521157&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 155546069 440729739 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51276824 Cc1cccc(CNCC2CCN(Cc3c(Cl)cccc3Cl)CC2)c1 InChI=1S/C21H26Cl2N2/c1-16-4-2-5-18(12-16)14-24-13-17-8-10-25(11-9-17)15-19-20(22)6-3-7-21(19)23/h2-7,12,17,24H,8-11,13-15H2,1H3 UZICESNXKZSHPK-UHFFFAOYSA-N 50521158 CHEMBL4463564 C-X-C chemokine receptor type 4 251 ChEMBL 10.1016/j.ejmech.2018.10.060 10.7270/Q2VD72V6 30476826 Adlere, I; Sun, S; Zarca, A; Roumen, L; Gozelle, M; Viciano, CP; Caspar, B; Arimont, M; Bebelman, JP; Briddon, SJ; Hoffmann, C; Hill, SJ; Smit, MJ; Vischer, HF; Wijtmans, M; de Graaf, C; de Esch, IJP; Leurs, R Griffin Discoveries BV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50521158 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50521158&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 155529936 440729740 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51276825 Clc1ccccc1CNCC1CCN(Cc2ccccc2Cl)CC1 InChI=1S/C20H24Cl2N2/c21-19-7-3-1-5-17(19)14-23-13-16-9-11-24(12-10-16)15-18-6-2-4-8-20(18)22/h1-8,16,23H,9-15H2 AUTBDSWOWXDCPN-UHFFFAOYSA-N 50521159 CHEMBL4533528 C-X-C chemokine receptor type 4 200 ChEMBL 10.1016/j.ejmech.2018.10.060 10.7270/Q2VD72V6 30476826 Adlere, I; Sun, S; Zarca, A; Roumen, L; Gozelle, M; Viciano, CP; Caspar, B; Arimont, M; Bebelman, JP; Briddon, SJ; Hoffmann, C; Hill, SJ; Smit, MJ; Vischer, HF; Wijtmans, M; de Graaf, C; de Esch, IJP; Leurs, R Griffin Discoveries BV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50521159 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50521159&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 155547373 440729741 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51276826 Oc1ccc(CN2CCC(CNCc3ccccc3)CC2)cc1 InChI=1S/C20H26N2O/c23-20-8-6-19(7-9-20)16-22-12-10-18(11-13-22)15-21-14-17-4-2-1-3-5-17/h1-9,18,21,23H,10-16H2 DIJFWKULIZOLEH-UHFFFAOYSA-N 50521157 CHEMBL4531030 C-X-C chemokine receptor type 4 <10000 ChEMBL 10.1016/j.ejmech.2018.10.060 10.7270/Q2VD72V6 30476826 Adlere, I; Sun, S; Zarca, A; Roumen, L; Gozelle, M; Viciano, CP; Caspar, B; Arimont, M; Bebelman, JP; Briddon, SJ; Hoffmann, C; Hill, SJ; Smit, MJ; Vischer, HF; Wijtmans, M; de Graaf, C; de Esch, IJP; Leurs, R Griffin Discoveries BV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50521157 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50521157&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 155546069 440729739 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51276827 CN(C)CCCNCc1ccc(Cl)c(Cl)c1 InChI=1S/C12H18Cl2N2/c1-16(2)7-3-6-15-9-10-4-5-11(13)12(14)8-10/h4-5,8,15H,3,6-7,9H2,1-2H3 FIGFDBVBDYLQFP-UHFFFAOYSA-N 50461977 CHEMBL4226649 C-X-C chemokine receptor type 4 <10000 ChEMBL 10.1016/j.ejmech.2018.10.060 10.7270/Q2VD72V6 30476826 Adlere, I; Sun, S; Zarca, A; Roumen, L; Gozelle, M; Viciano, CP; Caspar, B; Arimont, M; Bebelman, JP; Briddon, SJ; Hoffmann, C; Hill, SJ; Smit, MJ; Vischer, HF; Wijtmans, M; de Graaf, C; de Esch, IJP; Leurs, R Griffin Discoveries BV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50461977 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50461977&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 4719657 433929242 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51276828 OC(=O)\C=C\C(O)=O.Clc1ccccc1CN1CCC(CNCc2cccc(c2)-c2ccccc2)CC1 InChI=1S/C26H29ClN2.C4H4O4/c27-26-12-5-4-10-25(26)20-29-15-13-21(14-16-29)18-28-19-22-7-6-11-24(17-22)23-8-2-1-3-9-23;5-3(6)1-2-4(7)8/h1-12,17,21,28H,13-16,18-20H2;1-2H,(H,5,6)(H,7,8)/b;2-1+ ULDICFKROAUEGV-WLHGVMLRSA-N 50521142 CHEMBL4438964 C-X-C chemokine receptor type 4 1259 ChEMBL 10.1016/j.ejmech.2018.10.060 10.7270/Q2VD72V6 30476826 Adlere, I; Sun, S; Zarca, A; Roumen, L; Gozelle, M; Viciano, CP; Caspar, B; Arimont, M; Bebelman, JP; Briddon, SJ; Hoffmann, C; Hill, SJ; Smit, MJ; Vischer, HF; Wijtmans, M; de Graaf, C; de Esch, IJP; Leurs, R Griffin Discoveries BV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50521142 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50521142&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 155513527 440729724 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51276829 OC(=O)\C=C\C(O)=O.Clc1cccc(CNCC2CCN(Cc3ccccc3Cl)CC2)c1 InChI=1S/C20H24Cl2N2.C4H4O4/c21-19-6-3-4-17(12-19)14-23-13-16-8-10-24(11-9-16)15-18-5-1-2-7-20(18)22;5-3(6)1-2-4(7)8/h1-7,12,16,23H,8-11,13-15H2;1-2H,(H,5,6)(H,7,8)/b;2-1+ QFRYCSHSFHVDRM-WLHGVMLRSA-N 50521160 CHEMBL4585865 C-X-C chemokine receptor type 4 316 ChEMBL 10.1016/j.ejmech.2018.10.060 10.7270/Q2VD72V6 30476826 Adlere, I; Sun, S; Zarca, A; Roumen, L; Gozelle, M; Viciano, CP; Caspar, B; Arimont, M; Bebelman, JP; Briddon, SJ; Hoffmann, C; Hill, SJ; Smit, MJ; Vischer, HF; Wijtmans, M; de Graaf, C; de Esch, IJP; Leurs, R Griffin Discoveries BV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50521160 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50521160&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 155566843 440729742 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51276830 OC(=O)\C=C\C(O)=O.Clc1ccccc1CN1CCC(CNCc2ccc3ccccc3c2)CC1 InChI=1S/C24H27ClN2.C4H4O4/c25-24-8-4-3-7-23(24)18-27-13-11-19(12-14-27)16-26-17-20-9-10-21-5-1-2-6-22(21)15-20;5-3(6)1-2-4(7)8/h1-10,15,19,26H,11-14,16-18H2;1-2H,(H,5,6)(H,7,8)/b;2-1+ TUJKFHTWQPQYHC-WLHGVMLRSA-N 50521161 CHEMBL4438705 C-X-C chemokine receptor type 4 501 ChEMBL 10.1016/j.ejmech.2018.10.060 10.7270/Q2VD72V6 30476826 Adlere, I; Sun, S; Zarca, A; Roumen, L; Gozelle, M; Viciano, CP; Caspar, B; Arimont, M; Bebelman, JP; Briddon, SJ; Hoffmann, C; Hill, SJ; Smit, MJ; Vischer, HF; Wijtmans, M; de Graaf, C; de Esch, IJP; Leurs, R Griffin Discoveries BV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50521161 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50521161&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 155513322 440729743 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51276831 CCc1cccc(CNCC2CCN(Cc3ccccc3OC)CC2)c1 InChI=1S/C23H32N2O/c1-3-19-7-6-8-21(15-19)17-24-16-20-11-13-25(14-12-20)18-22-9-4-5-10-23(22)26-2/h4-10,15,20,24H,3,11-14,16-18H2,1-2H3 QYOSOFDSQRQHFM-UHFFFAOYSA-N 50521162 CHEMBL4440964 C-X-C chemokine receptor type 4 794 ChEMBL 10.1016/j.ejmech.2018.10.060 10.7270/Q2VD72V6 30476826 Adlere, I; Sun, S; Zarca, A; Roumen, L; Gozelle, M; Viciano, CP; Caspar, B; Arimont, M; Bebelman, JP; Briddon, SJ; Hoffmann, C; Hill, SJ; Smit, MJ; Vischer, HF; Wijtmans, M; de Graaf, C; de Esch, IJP; Leurs, R Griffin Discoveries BV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50521162 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50521162&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 155514823 440729744 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51276832 COc1ccccc1CN1CCC(CN)CC1 InChI=1S/C14H22N2O/c1-17-14-5-3-2-4-13(14)11-16-8-6-12(10-15)7-9-16/h2-5,12H,6-11,15H2,1H3 MVYZSUHEKZXIRB-UHFFFAOYSA-N 50521163 CHEMBL4469779 C-X-C chemokine receptor type 4 <10000 ChEMBL 10.1016/j.ejmech.2018.10.060 10.7270/Q2VD72V6 30476826 Adlere, I; Sun, S; Zarca, A; Roumen, L; Gozelle, M; Viciano, CP; Caspar, B; Arimont, M; Bebelman, JP; Briddon, SJ; Hoffmann, C; Hill, SJ; Smit, MJ; Vischer, HF; Wijtmans, M; de Graaf, C; de Esch, IJP; Leurs, R Griffin Discoveries BV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50521163 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50521163&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 24274895 440729745 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51276833 CC1(C)CN2C(CS\C(NC3CCCCC3)=N/C3CCCCC3)=CSC2=N1 InChI=1S/C21H34N4S2/c1-21(2)15-25-18(14-27-20(25)24-21)13-26-19(22-16-9-5-3-6-10-16)23-17-11-7-4-8-12-17/h14,16-17H,3-13,15H2,1-2H3,(H,22,23) OOSUDWRRWZVFEB-UHFFFAOYSA-N 50247128 (6,6-dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)methyl N,N'-dicyclohexylimidothiocarbamate::1,3-dicyclohexyl-2-((6,6-dimethyl-5,6-dihydroimidazo[2,1-b]thiazol-3-yl)methyl)isothiourea::CHEMBL460491 C-X-C chemokine receptor type 4 10.0 ChEMBL 10.1016/j.ejmech.2018.10.060 10.7270/Q2VD72V6 30476826 Adlere, I; Sun, S; Zarca, A; Roumen, L; Gozelle, M; Viciano, CP; Caspar, B; Arimont, M; Bebelman, JP; Briddon, SJ; Hoffmann, C; Hill, SJ; Smit, MJ; Vischer, HF; Wijtmans, M; de Graaf, C; de Esch, IJP; Leurs, R Griffin Discoveries BV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50247128 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50247128&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search ITD 3OE6,3OE9,3OE8,3ODU 25147749 104102288 CHEMBL460491 2899 ZINC96319476 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51276834 Cc1cccc(CNCC2CCN(Cc3ccccc3Cl)CC2)c1 InChI=1S/C21H27ClN2/c1-17-5-4-6-19(13-17)15-23-14-18-9-11-24(12-10-18)16-20-7-2-3-8-21(20)22/h2-8,13,18,23H,9-12,14-16H2,1H3 JFSVPTKSONMNBC-UHFFFAOYSA-N 50521156 CHEMBL4452433 C-X-C chemokine receptor type 4 3162 ChEMBL 10.1016/j.ejmech.2018.10.060 10.7270/Q2VD72V6 30476826 Adlere, I; Sun, S; Zarca, A; Roumen, L; Gozelle, M; Viciano, CP; Caspar, B; Arimont, M; Bebelman, JP; Briddon, SJ; Hoffmann, C; Hill, SJ; Smit, MJ; Vischer, HF; Wijtmans, M; de Graaf, C; de Esch, IJP; Leurs, R Griffin Discoveries BV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50521156 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50521156&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 155523400 440729738 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51276835 CC1(C)CN2C(CS\C(NC3CCCCC3)=N/C3CCCCC3)=CSC2=N1 InChI=1S/C21H34N4S2/c1-21(2)15-25-18(14-27-20(25)24-21)13-26-19(22-16-9-5-3-6-10-16)23-17-11-7-4-8-12-17/h14,16-17H,3-13,15H2,1-2H3,(H,22,23) OOSUDWRRWZVFEB-UHFFFAOYSA-N 50247128 (6,6-dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)methyl N,N'-dicyclohexylimidothiocarbamate::1,3-dicyclohexyl-2-((6,6-dimethyl-5,6-dihydroimidazo[2,1-b]thiazol-3-yl)methyl)isothiourea::CHEMBL460491 C-X-C chemokine receptor type 4 50 ChEMBL 10.1016/j.ejmech.2018.10.060 10.7270/Q2VD72V6 30476826 Adlere, I; Sun, S; Zarca, A; Roumen, L; Gozelle, M; Viciano, CP; Caspar, B; Arimont, M; Bebelman, JP; Briddon, SJ; Hoffmann, C; Hill, SJ; Smit, MJ; Vischer, HF; Wijtmans, M; de Graaf, C; de Esch, IJP; Leurs, R Griffin Discoveries BV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50247128 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50247128&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search ITD 3OE6,3OE9,3OE8,3ODU 25147749 104102288 CHEMBL460491 2899 ZINC96319476 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51276836 Cc1cccc(CNCC2CCN(Cc3ccccc3Cl)CC2)c1 InChI=1S/C21H27ClN2/c1-17-5-4-6-19(13-17)15-23-14-18-9-11-24(12-10-18)16-20-7-2-3-8-21(20)22/h2-8,13,18,23H,9-12,14-16H2,1H3 JFSVPTKSONMNBC-UHFFFAOYSA-N 50521156 CHEMBL4452433 C-X-C chemokine receptor type 4 158 ChEMBL 10.1016/j.ejmech.2018.10.060 10.7270/Q2VD72V6 30476826 Adlere, I; Sun, S; Zarca, A; Roumen, L; Gozelle, M; Viciano, CP; Caspar, B; Arimont, M; Bebelman, JP; Briddon, SJ; Hoffmann, C; Hill, SJ; Smit, MJ; Vischer, HF; Wijtmans, M; de Graaf, C; de Esch, IJP; Leurs, R Griffin Discoveries BV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50521156 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50521156&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 155523400 440729738 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51276837 Clc1ccccc1CN1CCC(CNCc2ccc3OCOc3c2)CC1 InChI=1S/C21H25ClN2O2/c22-19-4-2-1-3-18(19)14-24-9-7-16(8-10-24)12-23-13-17-5-6-20-21(11-17)26-15-25-20/h1-6,11,16,23H,7-10,12-15H2 DPYPAWPQWZCYAC-UHFFFAOYSA-N 50521164 CHEMBL4558842 C-X-C chemokine receptor type 4 251 ChEMBL 10.1016/j.ejmech.2018.10.060 10.7270/Q2VD72V6 30476826 Adlere, I; Sun, S; Zarca, A; Roumen, L; Gozelle, M; Viciano, CP; Caspar, B; Arimont, M; Bebelman, JP; Briddon, SJ; Hoffmann, C; Hill, SJ; Smit, MJ; Vischer, HF; Wijtmans, M; de Graaf, C; de Esch, IJP; Leurs, R Griffin Discoveries BV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50521164 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50521164&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 155557524 440729746 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51276838 Clc1ccccc1CN1CCC(CNCc2c[nH]cn2)CC1 InChI=1S/C17H23ClN4/c18-17-4-2-1-3-15(17)12-22-7-5-14(6-8-22)9-19-10-16-11-20-13-21-16/h1-4,11,13-14,19H,5-10,12H2,(H,20,21) LKJIPJRIGSWFNY-UHFFFAOYSA-N 50521165 CHEMBL4561387 C-X-C chemokine receptor type 4 1000 ChEMBL 10.1016/j.ejmech.2018.10.060 10.7270/Q2VD72V6 30476826 Adlere, I; Sun, S; Zarca, A; Roumen, L; Gozelle, M; Viciano, CP; Caspar, B; Arimont, M; Bebelman, JP; Briddon, SJ; Hoffmann, C; Hill, SJ; Smit, MJ; Vischer, HF; Wijtmans, M; de Graaf, C; de Esch, IJP; Leurs, R Griffin Discoveries BV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50521165 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50521165&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 155558835 440729747 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51276839 COc1ccccc1CN1CCC(CNCc2cccc(C)c2)CC1 InChI=1S/C22H30N2O/c1-18-6-5-7-20(14-18)16-23-15-19-10-12-24(13-11-19)17-21-8-3-4-9-22(21)25-2/h3-9,14,19,23H,10-13,15-17H2,1-2H3 VQSJRYMVXWZDPU-UHFFFAOYSA-N 50521166 CHEMBL4539571 C-X-C chemokine receptor type 4 794 ChEMBL 10.1016/j.ejmech.2018.10.060 10.7270/Q2VD72V6 30476826 Adlere, I; Sun, S; Zarca, A; Roumen, L; Gozelle, M; Viciano, CP; Caspar, B; Arimont, M; Bebelman, JP; Briddon, SJ; Hoffmann, C; Hill, SJ; Smit, MJ; Vischer, HF; Wijtmans, M; de Graaf, C; de Esch, IJP; Leurs, R Griffin Discoveries BV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50521166 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50521166&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 155550210 440729748 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51276840 NCC1CCN(CC2CCCCC2)CC1 InChI=1S/C13H26N2/c14-10-12-6-8-15(9-7-12)11-13-4-2-1-3-5-13/h12-13H,1-11,14H2 BVSQSPAHHLJKMD-UHFFFAOYSA-N 50521167 CHEMBL4536186 C-X-C chemokine receptor type 4 <10000 ChEMBL 10.1016/j.ejmech.2018.10.060 10.7270/Q2VD72V6 30476826 Adlere, I; Sun, S; Zarca, A; Roumen, L; Gozelle, M; Viciano, CP; Caspar, B; Arimont, M; Bebelman, JP; Briddon, SJ; Hoffmann, C; Hill, SJ; Smit, MJ; Vischer, HF; Wijtmans, M; de Graaf, C; de Esch, IJP; Leurs, R Griffin Discoveries BV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50521167 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50521167&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 11310349 440729749 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51276841 Clc1ccccc1CN1CCC(CNCc2ccccc2)CC1 InChI=1S/C20H25ClN2/c21-20-9-5-4-8-19(20)16-23-12-10-18(11-13-23)15-22-14-17-6-2-1-3-7-17/h1-9,18,22H,10-16H2 DLDJTHHLHVBYOQ-UHFFFAOYSA-N 50521144 CHEMBL4514484 C-X-C chemokine receptor type 4 794 ChEMBL 10.1016/j.ejmech.2018.10.060 10.7270/Q2VD72V6 30476826 Adlere, I; Sun, S; Zarca, A; Roumen, L; Gozelle, M; Viciano, CP; Caspar, B; Arimont, M; Bebelman, JP; Briddon, SJ; Hoffmann, C; Hill, SJ; Smit, MJ; Vischer, HF; Wijtmans, M; de Graaf, C; de Esch, IJP; Leurs, R Griffin Discoveries BV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50521144 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50521144&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 155539331 440729726 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51276842 Clc1ccccc1CN1CCC(CNCc2ccccc2)CC1 InChI=1S/C20H25ClN2/c21-20-9-5-4-8-19(20)16-23-12-10-18(11-13-23)15-22-14-17-6-2-1-3-7-17/h1-9,18,22H,10-16H2 DLDJTHHLHVBYOQ-UHFFFAOYSA-N 50521144 CHEMBL4514484 C-X-C chemokine receptor type 4 1995 ChEMBL 10.1016/j.ejmech.2018.10.060 10.7270/Q2VD72V6 30476826 Adlere, I; Sun, S; Zarca, A; Roumen, L; Gozelle, M; Viciano, CP; Caspar, B; Arimont, M; Bebelman, JP; Briddon, SJ; Hoffmann, C; Hill, SJ; Smit, MJ; Vischer, HF; Wijtmans, M; de Graaf, C; de Esch, IJP; Leurs, R Griffin Discoveries BV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50521144 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50521144&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 155539331 440729726 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51276843 Cc1cccc(CNCC2CCN(Cc3ccccc3Cl)CC2)c1 InChI=1S/C21H27ClN2/c1-17-5-4-6-19(13-17)15-23-14-18-9-11-24(12-10-18)16-20-7-2-3-8-21(20)22/h2-8,13,18,23H,9-12,14-16H2,1H3 JFSVPTKSONMNBC-UHFFFAOYSA-N 50521156 CHEMBL4452433 C-X-C chemokine receptor type 4 1000 ChEMBL 10.1016/j.ejmech.2018.10.060 10.7270/Q2VD72V6 30476826 Adlere, I; Sun, S; Zarca, A; Roumen, L; Gozelle, M; Viciano, CP; Caspar, B; Arimont, M; Bebelman, JP; Briddon, SJ; Hoffmann, C; Hill, SJ; Smit, MJ; Vischer, HF; Wijtmans, M; de Graaf, C; de Esch, IJP; Leurs, R Griffin Discoveries BV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50521156 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50521156&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 155523400 440729738 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51276844 Clc1ccc(CNCC2CCN(Cc3ccccc3Cl)CC2)cc1 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MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51276845 NCC1CCN(Cc2ccccc2Cl)CC1 InChI=1S/C13H19ClN2/c14-13-4-2-1-3-12(13)10-16-7-5-11(9-15)6-8-16/h1-4,11H,5-10,15H2 RUSJZUMIGVPPQH-UHFFFAOYSA-N 50521169 CHEMBL4469048 C-X-C chemokine receptor type 4 10000 ChEMBL 10.1016/j.ejmech.2018.10.060 10.7270/Q2VD72V6 30476826 Adlere, I; Sun, S; Zarca, A; Roumen, L; Gozelle, M; Viciano, CP; Caspar, B; Arimont, M; Bebelman, JP; Briddon, SJ; Hoffmann, C; Hill, SJ; Smit, MJ; Vischer, HF; Wijtmans, M; de Graaf, C; de Esch, IJP; Leurs, R Griffin Discoveries BV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50521169 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50521169&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 2236109 440729751 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51276846 OC(=O)\C=C\C(O)=O.Clc1ccccc1CN1CCC(CNCc2cccc(c2)-c2ccccc2)CC1 InChI=1S/C26H29ClN2.C4H4O4/c27-26-12-5-4-10-25(26)20-29-15-13-21(14-16-29)18-28-19-22-7-6-11-24(17-22)23-8-2-1-3-9-23;5-3(6)1-2-4(7)8/h1-12,17,21,28H,13-16,18-20H2;1-2H,(H,5,6)(H,7,8)/b;2-1+ ULDICFKROAUEGV-WLHGVMLRSA-N 50521142 CHEMBL4438964 C-X-C chemokine receptor type 4 631 ChEMBL 10.1016/j.ejmech.2018.10.060 10.7270/Q2VD72V6 30476826 Adlere, I; Sun, S; Zarca, A; Roumen, L; Gozelle, M; Viciano, CP; Caspar, B; Arimont, M; Bebelman, JP; Briddon, SJ; Hoffmann, C; Hill, SJ; Smit, MJ; Vischer, HF; Wijtmans, M; de Graaf, C; de Esch, IJP; Leurs, R Griffin Discoveries BV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50521142 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50521142&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 155513527 440729724 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51276847 Oc1ccc(CN2CCC(CNCc3ccccc3)CC2)cc1 InChI=1S/C20H26N2O/c23-20-8-6-19(7-9-20)16-22-12-10-18(11-13-22)15-21-14-17-4-2-1-3-5-17/h1-9,18,21,23H,10-16H2 DIJFWKULIZOLEH-UHFFFAOYSA-N 50521157 CHEMBL4531030 C-X-C chemokine receptor type 4 <31623 ChEMBL 10.1016/j.ejmech.2018.10.060 10.7270/Q2VD72V6 30476826 Adlere, I; Sun, S; Zarca, A; Roumen, L; Gozelle, M; Viciano, CP; Caspar, B; Arimont, M; Bebelman, JP; Briddon, SJ; Hoffmann, C; Hill, SJ; Smit, MJ; Vischer, HF; Wijtmans, M; de Graaf, C; de Esch, IJP; Leurs, R Griffin Discoveries BV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50521157 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50521157&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 155546069 440729739 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51276848 Clc1ccccc1CN1CCC(CNCC2CCCCC2)CC1 InChI=1S/C20H31ClN2/c21-20-9-5-4-8-19(20)16-23-12-10-18(11-13-23)15-22-14-17-6-2-1-3-7-17/h4-5,8-9,17-18,22H,1-3,6-7,10-16H2 NOIVROLBMGUARR-UHFFFAOYSA-N 50521170 CHEMBL4566356 C-X-C chemokine receptor type 4 3162 ChEMBL 10.1016/j.ejmech.2018.10.060 10.7270/Q2VD72V6 30476826 Adlere, I; Sun, S; Zarca, A; Roumen, L; Gozelle, M; Viciano, CP; Caspar, B; Arimont, M; Bebelman, JP; Briddon, SJ; Hoffmann, C; Hill, SJ; Smit, MJ; Vischer, HF; Wijtmans, M; de Graaf, C; de Esch, IJP; Leurs, R Griffin Discoveries BV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50521170 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50521170&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 155561098 440729752 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51276849 Clc1ccccc1CN1CCC(CNCc2cccc(Cl)c2Cl)CC1 InChI=1S/C20H23Cl3N2/c21-18-6-2-1-4-17(18)14-25-10-8-15(9-11-25)12-24-13-16-5-3-7-19(22)20(16)23/h1-7,15,24H,8-14H2 PWBFGSXZNIRWOA-UHFFFAOYSA-N 50521171 CHEMBL4450496 C-X-C chemokine receptor type 4 2512 ChEMBL 10.1016/j.ejmech.2018.10.060 10.7270/Q2VD72V6 30476826 Adlere, I; Sun, S; Zarca, A; Roumen, L; Gozelle, M; Viciano, CP; Caspar, B; Arimont, M; Bebelman, JP; Briddon, SJ; Hoffmann, C; Hill, SJ; Smit, MJ; Vischer, HF; Wijtmans, M; de Graaf, C; de Esch, IJP; Leurs, R Griffin Discoveries BV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50521171 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50521171&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 155521148 440729753 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51286112 CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(O)=O)C(=O)N[C@H](CCCCN)C(N)=O InChI=1S/C52H80N18O13/c1-27(2)18-32(54)45(77)61-24-41(72)63-28(3)44(76)69-39(25-71)49(81)66-36(19-29-22-60-33-11-5-4-10-31(29)33)46(78)67-37(20-30-23-58-26-62-30)47(79)65-35(13-8-16-59-52(56)57)51(83)70-17-9-14-40(70)50(82)68-38(21-42(73)74)48(80)64-34(43(55)75)12-6-7-15-53/h4-5,10-11,22-23,26-28,32,34-40,60,71H,6-9,12-21,24-25,53-54H2,1-3H3,(H2,55,75)(H,58,62)(H,61,77)(H,63,72)(H,64,80)(H,65,79)(H,66,81)(H,67,78)(H,68,82)(H,69,76)(H,73,74)(H4,56,57,59)/t28-,32-,34-,35-,36-,37-,38-,39-,40-/m1/s1 GBSRPZSUVZTJTJ-DZISDYSRSA-N 50524290 CHEMBL4526799 C-X-C chemokine receptor type 4 1100 ChEMBL 10.1016/j.ejmech.2019.03.056 10.7270/Q2MS3X5P 30978562 Zhang, C; Huang, LS; Zhu, R; Meng, Q; Zhu, S; Xu, Y; Zhang, H; Fang, X; Zhang, X; Zhou, J; Schooley, RT; Yang, X; Huang, Z; An, J University of California San Diego http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50524290 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50524290&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 155544593 440732872 C06396 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51286113 C(N1CCCNCCNCCCNCC1)c1ccc(CN2CCCNCCNCCCNCC2)cc1 InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2 YIQPUIGJQJDJOS-UHFFFAOYSA-N 50035696 1,1''-{1,4-phenylenebis(methylene)}-bis{1,4,8,11-tetraaza-cyclotetradecane}::1,4,8,11-tetraazacyclotetradecanyl[4-(1,4,8,11-tetraazacyclotetradecanylmethyl)phenyl]methane::1,4,8,11-tetraazacyclotetradecanyl[4-(1,4,8,11-tetraazacyclotetradecanylmethyl)phenyl]methane(8HBr.2H2O)::1,4-bis((1,4,8,11-tetraazacyclotetradecan-1-yl)methyl)benzene::11''-xylyl bis-1,4,8,11-tetraazacyclotetradecane::11-{4-[4,8, 11-1,4,8,11tetraaza-cyclotetradec-1-ylmethyl]-benzyl}-1,4,8,11tetraaza-cyclotetradecane-1,4,8-tricarboxylic acid tri-tert-butyl ester::AMD-3100::CHEMBL18442::CHEMBL2311089::PLERIXAFOR::PLERIXAFOR OCTAHYDROCHLORIDE::US9205085, MSX-162 C-X-C chemokine receptor type 4 44 ChEMBL 10.1016/j.ejmech.2019.03.056 10.7270/Q2MS3X5P 30978562 Zhang, C; Huang, LS; Zhu, R; Meng, Q; Zhu, S; Xu, Y; Zhang, H; Fang, X; Zhang, X; Zhou, J; Schooley, RT; Yang, X; Huang, Z; An, J University of California San Diego http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50035696 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50035696&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 65015 103943663 CHEMBL2311089CHEMBL18442 DB06809 844 ZINC22443609 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51286114 C(N1CCCNCCNCCCNCC1)c1ccc(CN2CCCNCCNCCCNCC2)cc1 InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2 YIQPUIGJQJDJOS-UHFFFAOYSA-N 50035696 1,1''-{1,4-phenylenebis(methylene)}-bis{1,4,8,11-tetraaza-cyclotetradecane}::1,4,8,11-tetraazacyclotetradecanyl[4-(1,4,8,11-tetraazacyclotetradecanylmethyl)phenyl]methane::1,4,8,11-tetraazacyclotetradecanyl[4-(1,4,8,11-tetraazacyclotetradecanylmethyl)phenyl]methane(8HBr.2H2O)::1,4-bis((1,4,8,11-tetraazacyclotetradecan-1-yl)methyl)benzene::11''-xylyl bis-1,4,8,11-tetraazacyclotetradecane::11-{4-[4,8, 11-1,4,8,11tetraaza-cyclotetradec-1-ylmethyl]-benzyl}-1,4,8,11tetraaza-cyclotetradecane-1,4,8-tricarboxylic acid tri-tert-butyl ester::AMD-3100::CHEMBL18442::CHEMBL2311089::PLERIXAFOR::PLERIXAFOR OCTAHYDROCHLORIDE::US9205085, MSX-162 C-X-C chemokine receptor type 4 51 ChEMBL 10.1016/j.ejmech.2019.03.056 10.7270/Q2MS3X5P 30978562 Zhang, C; Huang, LS; Zhu, R; Meng, Q; Zhu, S; Xu, Y; Zhang, H; Fang, X; Zhang, X; Zhou, J; Schooley, RT; Yang, X; Huang, Z; An, J University of California San Diego http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50035696 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50035696&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 65015 103943663 CHEMBL2311089CHEMBL18442 DB06809 844 ZINC22443609 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51286115 CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(O)=O)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CS)C(=O)N[C@H](CS)C(=O)N[C@H](CC(C)C)C(=O)NCC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(C)C)C(=O)N1CCC[C@@H]1C(=O)NCCCCCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(N)=O InChI=1S/C151H249N45O36S2/c1-81(2)60-93(156)127(210)168-72-120(202)173-87(13)126(209)190-111(76-197)141(224)186-107(67-89-70-167-94-33-17-16-32-92(89)94)137(220)187-108(68-90-71-163-80-172-90)138(221)183-101(39-28-56-166-151(161)162)148(231)195-58-30-41-116(195)145(228)188-109(69-124(206)207)139(222)180-98(37-21-25-53-155)132(215)192-114(79-234)143(226)193-113(78-233)142(225)185-103(62-83(5)6)130(213)171-75-123(205)177-106(66-88-44-46-91(199)47-45-88)136(219)181-99(48-49-118(157)200)133(216)179-97(36-20-24-52-154)131(214)182-100(38-27-55-165-150(159)160)147(230)196-59-31-42-117(196)146(229)189-110(65-86(11)12)149(232)194-57-29-40-115(194)144(227)164-54-26-14-15-43-119(201)174-96(35-19-23-51-153)128(211)169-73-121(203)175-104(63-84(7)8)134(217)184-102(61-82(3)4)129(212)170-74-122(204)176-105(64-85(9)10)135(218)191-112(77-198)140(223)178-95(125(158)208)34-18-22-50-152/h16-17,32-33,44-47,70-71,80-87,93,95-117,167,197-199,233-234H,14-15,18-31,34-43,48-69,72-79,152-156H2,1-13H3,(H2,157,200)(H2,158,208)(H,163,172)(H,164,227)(H,168,210)(H,169,211)(H,170,212)(H,171,213)(H,173,202)(H,174,201)(H,175,203)(H,176,204)(H,177,205)(H,178,223)(H,179,216)(H,180,222)(H,181,219)(H,182,214)(H,183,221)(H,184,217)(H,185,225)(H,186,224)(H,187,220)(H,188,228)(H,189,229)(H,190,209)(H,191,218)(H,192,215)(H,193,226)(H,206,207)(H4,159,160,165)(H4,161,162,166)/t87-,93-,95+,96+,97-,98-,99-,100-,101-,102+,103-,104+,105+,106-,107-,108-,109-,110-,111-,112+,113-,114-,115-,116-,117-/m1/s1 MULBNHGSSNNPFS-MVLDJALXSA-N 50524291 CHEMBL4469971 C-X-C chemokine receptor type 4 147 ChEMBL 10.1016/j.ejmech.2019.03.056 10.7270/Q2MS3X5P 30978562 Zhang, C; Huang, LS; Zhu, R; Meng, Q; Zhu, S; Xu, Y; Zhang, H; Fang, X; Zhang, X; Zhou, J; Schooley, RT; Yang, X; Huang, Z; An, J University of California San Diego http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50524291 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50524291&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 155534395 440732873 C02315 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51286116 CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)CCCCCNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CO)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@H](N)CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CS)C(N)=O InChI=1S/C123H207N47O30S/c1-7-66(4)98(118(199)161-81(34-23-47-144-122(135)136)110(191)160-82(38-39-92(129)172)105(186)152-68(6)101(182)163-85(52-70-57-139-63-149-70)113(194)168-90(62-201)99(130)180)169-115(196)87(54-96(176)177)154-95(175)60-148-104(185)75(28-12-16-40-124)155-109(190)80(33-22-46-143-121(133)134)158-106(187)77(29-13-17-41-125)153-93(173)37-9-8-20-44-141-103(184)76(32-21-45-142-120(131)132)156-107(188)78(30-14-18-42-126)157-108(189)79(31-15-19-43-127)159-114(195)88(55-97(178)179)166-117(198)91-36-25-49-170(91)119(200)83(35-24-48-145-123(137)138)162-112(193)86(53-71-58-140-64-150-71)165-111(192)84(51-69-56-146-74-27-11-10-26-72(69)74)164-116(197)89(61-171)167-100(181)67(5)151-94(174)59-147-102(183)73(128)50-65(2)3/h10-11,26-27,56-58,63-68,73,75-91,98,146,171,201H,7-9,12-25,28-55,59-62,124-128H2,1-6H3,(H2,129,172)(H2,130,180)(H,139,149)(H,140,150)(H,141,184)(H,147,183)(H,148,185)(H,151,174)(H,152,186)(H,153,173)(H,154,175)(H,155,190)(H,156,188)(H,157,189)(H,158,187)(H,159,195)(H,160,191)(H,161,199)(H,162,193)(H,163,182)(H,164,197)(H,165,192)(H,166,198)(H,167,181)(H,168,194)(H,169,196)(H,176,177)(H,178,179)(H4,131,132,142)(H4,133,134,143)(H4,135,136,144)(H4,137,138,145)/t66-,67+,68-,73+,75-,76+,77-,78+,79+,80-,81-,82-,83+,84+,85-,86+,87-,88+,89+,90-,91+,98-/m0/s1 NLHGANXJHMXRPV-IQIYGBBESA-N 50524292 CHEMBL4521504 C-X-C chemokine receptor type 4 23 ChEMBL 10.1016/j.ejmech.2019.03.056 10.7270/Q2MS3X5P 30978562 Zhang, C; Huang, LS; Zhu, R; Meng, Q; Zhu, S; Xu, Y; Zhang, H; Fang, X; Zhang, X; Zhou, J; Schooley, RT; Yang, X; Huang, Z; An, J University of California San Diego http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50524292 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50524292&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 155542701 440732874 C06396 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51286117 CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(O)=O)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(N)=N)C(=O)NCCCCCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CS)C(O)=O InChI=1S/C122H206N46O33S/c1-62(2)49-69(127)98(180)146-58-93(176)148-63(3)97(179)163-85(59-169)111(193)157-79(50-66-56-145-70-26-9-8-25-68(66)70)106(188)158-80(51-67-57-139-61-147-67)107(189)156-78(34-22-46-144-122(137)138)116(198)167-47-23-36-88(167)113(195)160-83(55-94(177)178)110(192)154-74(29-12-16-40-125)102(184)151-73(28-11-15-39-124)101(183)150-71(31-19-43-141-119(131)132)99(181)140-42-18-6-7-37-92(175)149-72(27-10-14-38-123)100(182)153-76(32-20-44-142-120(133)134)103(185)152-75(30-13-17-41-126)104(186)165-95(64(4)170)114(196)161-82(53-90(129)173)108(190)159-81(52-89(128)172)109(191)162-84(54-91(130)174)117(199)168-48-24-35-87(168)112(194)155-77(33-21-45-143-121(135)136)105(187)166-96(65(5)171)115(197)164-86(60-202)118(200)201/h8-9,25-26,56-57,61-65,69,71-88,95-96,145,169-171,202H,6-7,10-24,27-55,58-60,123-127H2,1-5H3,(H2,128,172)(H2,129,173)(H2,130,174)(H,139,147)(H,140,181)(H,146,180)(H,148,176)(H,149,175)(H,150,183)(H,151,184)(H,152,185)(H,153,182)(H,154,192)(H,155,194)(H,156,189)(H,157,193)(H,158,188)(H,159,190)(H,160,195)(H,161,196)(H,162,191)(H,163,179)(H,164,197)(H,165,186)(H,166,187)(H,177,178)(H,200,201)(H4,131,132,141)(H4,133,134,142)(H4,135,136,143)(H4,137,138,144)/t63-,64-,65-,69-,71-,72+,73-,74-,75+,76+,77+,78-,79-,80-,81+,82+,83-,84+,85-,86+,87+,88-,95+,96+/m1/s1 VUPWDSAIYNFQPO-CLCNEYALSA-N 50524293 CHEMBL4542285 C-X-C chemokine receptor type 4 16 ChEMBL 10.1016/j.ejmech.2019.03.056 10.7270/Q2MS3X5P 30978562 Zhang, C; Huang, LS; Zhu, R; Meng, Q; Zhu, S; Xu, Y; Zhang, H; Fang, X; Zhang, X; Zhou, J; Schooley, RT; Yang, X; Huang, Z; An, J University of California San Diego http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50524293 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50524293&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 155551439 440732875 C06396 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51286118 C[C@@H](O)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)CCCCCN)[C@@H](C)O)C(=O)N[C@@H](CS)C(O)=O 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MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51286120 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MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51286121 CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(O)=O)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CS)C(=O)N[C@H](CS)C(=O)N[C@H](CC(C)C)C(=O)NCC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(C)C)C(=O)N1CCC[C@@H]1C(=O)NCCCCCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(N)=O 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Diego http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50524290 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50524290&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 155544593 440732872 C06396 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51286124 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Xu, Y; Zhang, H; Fang, X; Zhang, X; Zhou, J; Schooley, RT; Yang, X; Huang, Z; An, J University of California San Diego http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50524296 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50524296&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 155522667 440732878 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN 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MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51286130 CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(O)=O)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(N)=N)C(=O)NCCCCCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CS)C(O)=O 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MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51277252 NCCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 InChI=1S/C23H32N4/c24-12-3-4-14-27(22-11-5-9-18-10-6-13-25-23(18)22)17-21-15-19-7-1-2-8-20(19)16-26-21/h1-2,6-8,10,13,21-22,26H,3-5,9,11-12,14-17,24H2/t21-,22+/m1/s1 MYCKNKHATQGHEV-YADHBBJMSA-N 50443541 CHEMBL3091687 C-X-C chemokine receptor type 4 9710 ChEMBL 10.1021/acsmedchemlett.8b00441 10.7270/Q2D79FT9 30655949 Katzman, BM; Cox, BD; Prosser, AR; Alcaraz, AA; Murat, B; Héroux, M; Tebben, A; Zhang, Y; Schroeder, GM; Snyder, JP; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50443541 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50443541&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 57345320 194941437 CHEMBL3091687 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51277253 CC1(C)CN2C(CS\C(NC3CCCCC3)=N/C3CCCCC3)=CSC2=N1 InChI=1S/C21H34N4S2/c1-21(2)15-25-18(14-27-20(25)24-21)13-26-19(22-16-9-5-3-6-10-16)23-17-11-7-4-8-12-17/h14,16-17H,3-13,15H2,1-2H3,(H,22,23) OOSUDWRRWZVFEB-UHFFFAOYSA-N 50247128 (6,6-dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)methyl N,N'-dicyclohexylimidothiocarbamate::1,3-dicyclohexyl-2-((6,6-dimethyl-5,6-dihydroimidazo[2,1-b]thiazol-3-yl)methyl)isothiourea::CHEMBL460491 C-X-C chemokine receptor type 4 18900 ChEMBL 10.1021/acsmedchemlett.8b00441 10.7270/Q2D79FT9 30655949 Katzman, BM; Cox, BD; Prosser, AR; Alcaraz, AA; Murat, B; Héroux, M; Tebben, A; Zhang, Y; Schroeder, GM; Snyder, JP; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50247128 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50247128&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search ITD 3OE6,3OE9,3OE8,3ODU 25147749 104102288 CHEMBL460491 2899 ZINC96319476 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51277254 CC1(C)CN2C(CS\C(NC3CCCCC3)=N/C3CCCCC3)=CSC2=N1 InChI=1S/C21H34N4S2/c1-21(2)15-25-18(14-27-20(25)24-21)13-26-19(22-16-9-5-3-6-10-16)23-17-11-7-4-8-12-17/h14,16-17H,3-13,15H2,1-2H3,(H,22,23) OOSUDWRRWZVFEB-UHFFFAOYSA-N 50247128 (6,6-dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)methyl N,N'-dicyclohexylimidothiocarbamate::1,3-dicyclohexyl-2-((6,6-dimethyl-5,6-dihydroimidazo[2,1-b]thiazol-3-yl)methyl)isothiourea::CHEMBL460491 C-X-C chemokine receptor type 4 430 ChEMBL 10.1021/acsmedchemlett.8b00441 10.7270/Q2D79FT9 30655949 Katzman, BM; Cox, BD; Prosser, AR; Alcaraz, AA; Murat, B; Héroux, M; Tebben, A; Zhang, Y; Schroeder, GM; Snyder, JP; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50247128 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50247128&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search ITD 3OE6,3OE9,3OE8,3ODU 25147749 104102288 CHEMBL460491 2899 ZINC96319476 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51277255 NCCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 InChI=1S/C23H32N4/c24-12-3-4-14-27(22-11-5-9-18-10-6-13-25-23(18)22)17-21-15-19-7-1-2-8-20(19)16-26-21/h1-2,6-8,10,13,21-22,26H,3-5,9,11-12,14-17,24H2/t21-,22+/m1/s1 MYCKNKHATQGHEV-YADHBBJMSA-N 50443541 CHEMBL3091687 C-X-C chemokine receptor type 4 414 ChEMBL 10.1021/acsmedchemlett.8b00441 10.7270/Q2D79FT9 30655949 Katzman, BM; Cox, BD; Prosser, AR; Alcaraz, AA; Murat, B; Héroux, M; Tebben, A; Zhang, Y; Schroeder, GM; Snyder, JP; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50443541 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50443541&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 57345320 194941437 CHEMBL3091687 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51277256 CC1(C)CN2C(CS\C(NC3CCCCC3)=N/C3CCCCC3)=CSC2=N1 InChI=1S/C21H34N4S2/c1-21(2)15-25-18(14-27-20(25)24-21)13-26-19(22-16-9-5-3-6-10-16)23-17-11-7-4-8-12-17/h14,16-17H,3-13,15H2,1-2H3,(H,22,23) OOSUDWRRWZVFEB-UHFFFAOYSA-N 50247128 (6,6-dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)methyl N,N'-dicyclohexylimidothiocarbamate::1,3-dicyclohexyl-2-((6,6-dimethyl-5,6-dihydroimidazo[2,1-b]thiazol-3-yl)methyl)isothiourea::CHEMBL460491 C-X-C chemokine receptor type 4 223 ChEMBL 10.1021/acsmedchemlett.8b00441 10.7270/Q2D79FT9 30655949 Katzman, BM; Cox, BD; Prosser, AR; Alcaraz, AA; Murat, B; Héroux, M; Tebben, A; Zhang, Y; Schroeder, GM; Snyder, JP; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50247128 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50247128&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search ITD 3OE6,3OE9,3OE8,3ODU 25147749 104102288 CHEMBL460491 2899 ZINC96319476 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51277257 CC1(C)CN2C(CS\C(NC3CCCCC3)=N/C3CCCCC3)=CSC2=N1 InChI=1S/C21H34N4S2/c1-21(2)15-25-18(14-27-20(25)24-21)13-26-19(22-16-9-5-3-6-10-16)23-17-11-7-4-8-12-17/h14,16-17H,3-13,15H2,1-2H3,(H,22,23) OOSUDWRRWZVFEB-UHFFFAOYSA-N 50247128 (6,6-dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)methyl N,N'-dicyclohexylimidothiocarbamate::1,3-dicyclohexyl-2-((6,6-dimethyl-5,6-dihydroimidazo[2,1-b]thiazol-3-yl)methyl)isothiourea::CHEMBL460491 C-X-C chemokine receptor type 4 7190 ChEMBL 10.1021/acsmedchemlett.8b00441 10.7270/Q2D79FT9 30655949 Katzman, BM; Cox, BD; Prosser, AR; Alcaraz, AA; Murat, B; Héroux, M; Tebben, A; Zhang, Y; Schroeder, GM; Snyder, JP; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50247128 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50247128&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search ITD 3OE6,3OE9,3OE8,3ODU 25147749 104102288 CHEMBL460491 2899 ZINC96319476 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51277258 NCCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 InChI=1S/C23H32N4/c24-12-3-4-14-27(22-11-5-9-18-10-6-13-25-23(18)22)17-21-15-19-7-1-2-8-20(19)16-26-21/h1-2,6-8,10,13,21-22,26H,3-5,9,11-12,14-17,24H2/t21-,22+/m1/s1 MYCKNKHATQGHEV-YADHBBJMSA-N 50443541 CHEMBL3091687 C-X-C chemokine receptor type 4 288 ChEMBL 10.1021/acsmedchemlett.8b00441 10.7270/Q2D79FT9 30655949 Katzman, BM; Cox, BD; Prosser, AR; Alcaraz, AA; Murat, B; Héroux, M; Tebben, A; Zhang, Y; Schroeder, GM; Snyder, JP; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50443541 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50443541&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 57345320 194941437 CHEMBL3091687 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51277259 CC1(C)CN2C(CS\C(NC3CCCCC3)=N/C3CCCCC3)=CSC2=N1 InChI=1S/C21H34N4S2/c1-21(2)15-25-18(14-27-20(25)24-21)13-26-19(22-16-9-5-3-6-10-16)23-17-11-7-4-8-12-17/h14,16-17H,3-13,15H2,1-2H3,(H,22,23) OOSUDWRRWZVFEB-UHFFFAOYSA-N 50247128 (6,6-dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)methyl N,N'-dicyclohexylimidothiocarbamate::1,3-dicyclohexyl-2-((6,6-dimethyl-5,6-dihydroimidazo[2,1-b]thiazol-3-yl)methyl)isothiourea::CHEMBL460491 C-X-C chemokine receptor type 4 6370 ChEMBL 10.1021/acsmedchemlett.8b00441 10.7270/Q2D79FT9 30655949 Katzman, BM; Cox, BD; Prosser, AR; Alcaraz, AA; Murat, B; Héroux, M; Tebben, A; Zhang, Y; Schroeder, GM; Snyder, JP; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50247128 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50247128&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search ITD 3OE6,3OE9,3OE8,3ODU 25147749 104102288 CHEMBL460491 2899 ZINC96319476 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51277260 NCCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 InChI=1S/C23H32N4/c24-12-3-4-14-27(22-11-5-9-18-10-6-13-25-23(18)22)17-21-15-19-7-1-2-8-20(19)16-26-21/h1-2,6-8,10,13,21-22,26H,3-5,9,11-12,14-17,24H2/t21-,22+/m1/s1 MYCKNKHATQGHEV-YADHBBJMSA-N 50443541 CHEMBL3091687 C-X-C chemokine receptor type 4 91 ChEMBL 10.1021/acsmedchemlett.8b00441 10.7270/Q2D79FT9 30655949 Katzman, BM; Cox, BD; Prosser, AR; Alcaraz, AA; Murat, B; Héroux, M; Tebben, A; Zhang, Y; Schroeder, GM; Snyder, JP; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50443541 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50443541&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 57345320 194941437 CHEMBL3091687 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51277261 NCCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 InChI=1S/C23H32N4/c24-12-3-4-14-27(22-11-5-9-18-10-6-13-25-23(18)22)17-21-15-19-7-1-2-8-20(19)16-26-21/h1-2,6-8,10,13,21-22,26H,3-5,9,11-12,14-17,24H2/t21-,22+/m1/s1 MYCKNKHATQGHEV-YADHBBJMSA-N 50443541 CHEMBL3091687 C-X-C chemokine receptor type 4 197 ChEMBL 10.1021/acsmedchemlett.8b00441 10.7270/Q2D79FT9 30655949 Katzman, BM; Cox, BD; Prosser, AR; Alcaraz, AA; Murat, B; Héroux, M; Tebben, A; Zhang, Y; Schroeder, GM; Snyder, JP; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50443541 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50443541&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 57345320 194941437 CHEMBL3091687 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51277262 NCCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 InChI=1S/C23H32N4/c24-12-3-4-14-27(22-11-5-9-18-10-6-13-25-23(18)22)17-21-15-19-7-1-2-8-20(19)16-26-21/h1-2,6-8,10,13,21-22,26H,3-5,9,11-12,14-17,24H2/t21-,22+/m1/s1 MYCKNKHATQGHEV-YADHBBJMSA-N 50443541 CHEMBL3091687 C-X-C chemokine receptor type 4 152 ChEMBL 10.1021/acsmedchemlett.8b00441 10.7270/Q2D79FT9 30655949 Katzman, BM; Cox, BD; Prosser, AR; Alcaraz, AA; Murat, B; Héroux, M; Tebben, A; Zhang, Y; Schroeder, GM; Snyder, JP; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50443541 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50443541&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 57345320 194941437 CHEMBL3091687 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51277263 NCCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 InChI=1S/C23H32N4/c24-12-3-4-14-27(22-11-5-9-18-10-6-13-25-23(18)22)17-21-15-19-7-1-2-8-20(19)16-26-21/h1-2,6-8,10,13,21-22,26H,3-5,9,11-12,14-17,24H2/t21-,22+/m1/s1 MYCKNKHATQGHEV-YADHBBJMSA-N 50443541 CHEMBL3091687 C-X-C chemokine receptor type 4 66 ChEMBL 10.1021/acsmedchemlett.8b00441 10.7270/Q2D79FT9 30655949 Katzman, BM; Cox, BD; Prosser, AR; Alcaraz, AA; Murat, B; Héroux, M; Tebben, A; Zhang, Y; Schroeder, GM; Snyder, JP; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50443541 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50443541&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 57345320 194941437 CHEMBL3091687 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51277264 CC1(C)CN2C(CS\C(NC3CCCCC3)=N/C3CCCCC3)=CSC2=N1 InChI=1S/C21H34N4S2/c1-21(2)15-25-18(14-27-20(25)24-21)13-26-19(22-16-9-5-3-6-10-16)23-17-11-7-4-8-12-17/h14,16-17H,3-13,15H2,1-2H3,(H,22,23) OOSUDWRRWZVFEB-UHFFFAOYSA-N 50247128 (6,6-dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)methyl N,N'-dicyclohexylimidothiocarbamate::1,3-dicyclohexyl-2-((6,6-dimethyl-5,6-dihydroimidazo[2,1-b]thiazol-3-yl)methyl)isothiourea::CHEMBL460491 C-X-C chemokine receptor type 4 967 ChEMBL 10.1021/acsmedchemlett.8b00441 10.7270/Q2D79FT9 30655949 Katzman, BM; Cox, BD; Prosser, AR; Alcaraz, AA; Murat, B; Héroux, M; Tebben, A; Zhang, Y; Schroeder, GM; Snyder, JP; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50247128 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50247128&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search ITD 3OE6,3OE9,3OE8,3ODU 25147749 104102288 CHEMBL460491 2899 ZINC96319476 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51277265 CC1(C)CN2C(CS\C(NC3CCCCC3)=N/C3CCCCC3)=CSC2=N1 InChI=1S/C21H34N4S2/c1-21(2)15-25-18(14-27-20(25)24-21)13-26-19(22-16-9-5-3-6-10-16)23-17-11-7-4-8-12-17/h14,16-17H,3-13,15H2,1-2H3,(H,22,23) OOSUDWRRWZVFEB-UHFFFAOYSA-N 50247128 (6,6-dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)methyl N,N'-dicyclohexylimidothiocarbamate::1,3-dicyclohexyl-2-((6,6-dimethyl-5,6-dihydroimidazo[2,1-b]thiazol-3-yl)methyl)isothiourea::CHEMBL460491 C-X-C chemokine receptor type 4 326 ChEMBL 10.1021/acsmedchemlett.8b00441 10.7270/Q2D79FT9 30655949 Katzman, BM; Cox, BD; Prosser, AR; Alcaraz, AA; Murat, B; Héroux, M; Tebben, A; Zhang, Y; Schroeder, GM; Snyder, JP; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50247128 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50247128&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search ITD 3OE6,3OE9,3OE8,3ODU 25147749 104102288 CHEMBL460491 2899 ZINC96319476 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51319898 CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(O)=O)C(=O)N[C@H](CCCCN)C(=O)NCCOCCOCCOCCC(=O)N[C@@H](CCCCNC(=O)CCOCCOCCOCCOCCOCCNC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(N)=O InChI=1S/C108H183N29O32/c1-65(2)53-73(112)94(148)122-60-89(143)124-68(7)93(147)132-83(62-139)101(155)129-79(55-69-58-121-74-21-9-8-19-71(69)74)98(152)130-80(56-70-59-116-64-123-70)99(153)127-77(24-16-32-120-108(114)115)107(161)137-36-18-25-85(137)103(157)131-81(57-90(144)145)100(154)126-76(23-11-14-30-110)95(149)118-33-39-164-43-47-166-46-42-163-38-28-88(142)125-75(92(113)146)22-12-15-31-117-87(141)27-37-162-41-45-167-49-51-169-52-50-168-48-44-165-40-34-119-96(150)82(61-138)133-97(151)78(54-66(3)4)128-102(156)84(63-140)134-105(159)91(67(5)6)135-104(158)86-26-17-35-136(86)106(160)72(111)20-10-13-29-109/h8-9,19,21,58-59,64-68,72-73,75-86,91,121,138-140H,10-18,20,22-57,60-63,109-112H2,1-7H3,(H2,113,146)(H,116,123)(H,117,141)(H,118,149)(H,119,150)(H,122,148)(H,124,143)(H,125,142)(H,126,154)(H,127,153)(H,128,156)(H,129,155)(H,130,152)(H,131,157)(H,132,147)(H,133,151)(H,134,159)(H,135,158)(H,144,145)(H4,114,115,120)/t68-,72+,73-,75+,76-,77-,78+,79-,80-,81-,82+,83-,84+,85-,86+,91+/m1/s1 AMWQUUGDORCJJV-JPCIKEPFSA-N 50534125 CHEMBL4470243 C-X-C chemokine receptor type 4 737 ChEMBL 10.1016/j.bmc.2016.08.062 10.7270/Q24M982P 27658790 Yang, Y; Gao, M; Zhang, Q; Zhang, C; Yang, X; Huang, Z; An, J Upstate Medical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50534125 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50534125&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 155534351 440742707 C06396 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51319899 CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](C)C(=O)N[C@H](CC(O)=O)C(=O)N[C@H](CCCCN)C(=O)NCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCOCCOCCOCCNC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](C)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CO)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@H](N)CC(C)C)C(N)=O InChI=1S/C124H199N39O35/c1-69(2)51-81(127)109(179)143-63-100(168)147-71(5)105(175)162-96(65-164)121(191)158-90(53-75-59-141-83-23-11-9-21-79(75)83)115(185)160-92(55-77-61-134-67-145-77)117(187)154-88(28-19-35-139-123(130)131)113(183)149-73(7)107(177)156-94(57-102(170)171)119(189)152-86(26-13-16-32-125)111(181)137-37-41-195-45-49-197-47-43-193-39-30-98(166)136-34-18-15-25-85(104(129)174)151-99(167)31-40-194-44-48-198-50-46-196-42-38-138-112(182)87(27-14-17-33-126)153-120(190)95(58-103(172)173)157-108(178)74(8)150-114(184)89(29-20-36-140-124(132)133)155-118(188)93(56-78-62-135-68-146-78)161-116(186)91(54-76-60-142-84-24-12-10-22-80(76)84)159-122(192)97(66-165)163-106(176)72(6)148-101(169)64-144-110(180)82(128)52-70(3)4/h9-12,21-24,59-62,67-74,81-82,85-97,141-142,164-165H,13-20,25-58,63-66,125-128H2,1-8H3,(H2,129,174)(H,134,145)(H,135,146)(H,136,166)(H,137,181)(H,138,182)(H,143,179)(H,144,180)(H,147,168)(H,148,169)(H,149,183)(H,150,184)(H,151,167)(H,152,189)(H,153,190)(H,154,187)(H,155,188)(H,156,177)(H,157,178)(H,158,191)(H,159,192)(H,160,185)(H,161,186)(H,162,175)(H,163,176)(H,170,171)(H,172,173)(H4,130,131,139)(H4,132,133,140)/t71-,72-,73-,74-,81-,82-,85+,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-/m1/s1 WSJZOIBPXUKCAM-ZZPQTYKZSA-N 50534126 CHEMBL4471355 C-X-C chemokine receptor type 4 64 ChEMBL 10.1016/j.bmc.2016.08.062 10.7270/Q24M982P 27658790 Yang, Y; Gao, M; Zhang, Q; Zhang, C; Yang, X; Huang, Z; An, J Upstate Medical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50534126 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50534126&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 155534825 440742708 C06396 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51319900 CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(O)=O)C(=O)N[C@H](CCCCN)C(=O)NCCOCCOCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCOCCOCCOCCOCCOCCNC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CO)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@H](N)CC(C)C)C(N)=O 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YHRWGOLXMKNPGQ-GNVHXFOQSA-N 50534127 CHEMBL4470663 C-X-C chemokine receptor type 4 23 ChEMBL 10.1016/j.bmc.2016.08.062 10.7270/Q24M982P 27658790 Yang, Y; Gao, M; Zhang, Q; Zhang, C; Yang, X; Huang, Z; An, J Upstate Medical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50534127 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50534127&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 155534587 440742709 C06396 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51319901 CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(O)=O)C(=O)N[C@H](CCCCN)C(=O)NCCOCCOCCOCCC(=O)N[C@@H](CCCCNC(=O)CCOCCOCCOCCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(N)=O 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receptor type 4 1560 ChEMBL 10.1016/j.bmc.2016.08.062 10.7270/Q24M982P 27658790 Yang, Y; Gao, M; Zhang, Q; Zhang, C; Yang, X; Huang, Z; An, J Upstate Medical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50534128 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50534128&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 155513627 440742710 C06396 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51319902 CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(O)=O)C(=O)N[C@H](CCCCN)C(=O)NCCOCCOCCOCCC(=O)N[C@@H](CCCCNC(=O)CCOCCOCCOCCNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(N)=O 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DJBGZCQLKLXCIB-WXGHFFLUSA-N 50534129 CHEMBL4450987 C-X-C chemokine receptor type 4 407 ChEMBL 10.1016/j.bmc.2016.08.062 10.7270/Q24M982P 27658790 Yang, Y; Gao, M; Zhang, Q; Zhang, C; Yang, X; Huang, Z; An, J Upstate Medical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50534129 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50534129&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 155521886 440742711 C06396 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51319903 CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(O)=O)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(N)=O 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DLALFDXCDBISHE-MHBDANATSA-N 50534130 CHEMBL4520732 C-X-C chemokine receptor type 4 502 ChEMBL 10.1016/j.bmc.2016.08.062 10.7270/Q24M982P 27658790 Yang, Y; Gao, M; Zhang, Q; Zhang, C; Yang, X; Huang, Z; An, J Upstate Medical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50534130 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50534130&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 155542313 440742712 C06396 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51319904 CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(O)=O)C(=O)N[C@H](C)C(=O)NCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCOCCOCCOCCNC(=O)[C@@H](C)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CO)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@H](N)CC(C)C)C(N)=O 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receptor type 4 >1000 ChEMBL 10.1016/j.bmc.2016.08.062 10.7270/Q24M982P 27658790 Yang, Y; Gao, M; Zhang, Q; Zhang, C; Yang, X; Huang, Z; An, J Upstate Medical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50534140 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50534140&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 155556244 440742722 C06396 1 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HHSMBKNGYRHBKC-NEXKANLYSA-N 50534141 CHEMBL4474901 C-X-C chemokine receptor type 4 25 ChEMBL 10.1016/j.bmc.2016.08.062 10.7270/Q24M982P 27658790 Yang, Y; Gao, M; Zhang, Q; Zhang, C; Yang, X; Huang, Z; An, J Upstate Medical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50534141 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50534141&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 155537468 440742723 C06396 1 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AIEOVNRCZFTTKJ-RZZKXKCISA-N 50534142 CHEMBL4435545 C-X-C chemokine receptor type 4 747 ChEMBL 10.1016/j.bmc.2016.08.062 10.7270/Q24M982P 27658790 Yang, Y; Gao, M; Zhang, Q; Zhang, C; Yang, X; Huang, Z; An, J Upstate Medical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50534142 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50534142&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 155511299 440742724 C06396 1 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QENILVUXRIRSJG-CDSNNWPASA-N 50534143 CHEMBL4561023 C-X-C chemokine receptor type 4 34 ChEMBL 10.1016/j.bmc.2016.08.062 10.7270/Q24M982P 27658790 Yang, Y; Gao, M; Zhang, Q; Zhang, C; Yang, X; Huang, Z; An, J Upstate Medical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50534143 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50534143&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 155558653 440742725 C06396 1 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STNYNBUKNRICJW-GMQFBICOSA-N 50534145 CHEMBL4584349 C-X-C chemokine receptor type 4 144 ChEMBL 10.1016/j.bmc.2016.08.062 10.7270/Q24M982P 27658790 Yang, Y; Gao, M; Zhang, Q; Zhang, C; Yang, X; Huang, Z; An, J Upstate Medical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50534145 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50534145&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 155566596 440742727 C06396 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51319919 CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(O)=O)C(=O)N[C@H](CCCCN)C(O)=O 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http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50534146&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 155518667 440742728 C06396 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51319920 C(N1CCCNCCNCCCNCC1)c1ccc(CN2CCCNCCNCCCNCC2)cc1 InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2 YIQPUIGJQJDJOS-UHFFFAOYSA-N 50035696 1,1''-{1,4-phenylenebis(methylene)}-bis{1,4,8,11-tetraaza-cyclotetradecane}::1,4,8,11-tetraazacyclotetradecanyl[4-(1,4,8,11-tetraazacyclotetradecanylmethyl)phenyl]methane::1,4,8,11-tetraazacyclotetradecanyl[4-(1,4,8,11-tetraazacyclotetradecanylmethyl)phenyl]methane(8HBr.2H2O)::1,4-bis((1,4,8,11-tetraazacyclotetradecan-1-yl)methyl)benzene::11''-xylyl bis-1,4,8,11-tetraazacyclotetradecane::11-{4-[4,8, 11-1,4,8,11tetraaza-cyclotetradec-1-ylmethyl]-benzyl}-1,4,8,11tetraaza-cyclotetradecane-1,4,8-tricarboxylic acid tri-tert-butyl ester::AMD-3100::CHEMBL18442::CHEMBL2311089::PLERIXAFOR::PLERIXAFOR OCTAHYDROCHLORIDE::US9205085, MSX-162 C-X-C chemokine receptor type 4 65 ChEMBL 10.1016/j.bmc.2016.08.062 10.7270/Q24M982P 27658790 Yang, Y; Gao, M; Zhang, Q; Zhang, C; Yang, X; Huang, Z; An, J Upstate Medical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50035696 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50035696&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 65015 103943663 CHEMBL2311089CHEMBL18442 DB06809 844 ZINC22443609 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51319921 CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)NCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCOCCOCCOCCOCCOCCOCCOCCNC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CO)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@H](N)CC(C)C)C(N)=O InChI=1S/C102H163N23O31/c1-67(2)51-77(103)95(135)113-61-90(130)117-69(5)93(133)124-86(63-126)101(141)120-82(53-71-57-111-79-15-9-7-13-75(71)79)99(139)122-84(55-73-59-106-65-115-73)97(137)109-21-25-145-29-33-149-37-41-153-45-49-155-47-43-151-39-35-147-31-27-143-23-18-88(128)108-20-12-11-17-81(92(105)132)119-89(129)19-24-144-28-32-148-36-40-152-44-48-156-50-46-154-42-38-150-34-30-146-26-22-110-98(138)85(56-74-60-107-66-116-74)123-100(140)83(54-72-58-112-80-16-10-8-14-76(72)80)121-102(142)87(64-127)125-94(134)70(6)118-91(131)62-114-96(136)78(104)52-68(3)4/h7-10,13-16,57-60,65-70,77-78,81-87,111-112,126-127H,11-12,17-56,61-64,103-104H2,1-6H3,(H2,105,132)(H,106,115)(H,107,116)(H,108,128)(H,109,137)(H,110,138)(H,113,135)(H,114,136)(H,117,130)(H,118,131)(H,119,129)(H,120,141)(H,121,142)(H,122,139)(H,123,140)(H,124,133)(H,125,134)/t69-,70-,77-,78-,81+,82-,83-,84-,85-,86-,87-/m1/s1 QFVUVDBDFCTDSZ-ZSVZCQKCSA-N 50534147 CHEMBL4471262 C-X-C chemokine receptor type 4 >1000 ChEMBL 10.1016/j.bmc.2016.08.062 10.7270/Q24M982P 27658790 Yang, Y; Gao, M; Zhang, Q; Zhang, C; Yang, X; Huang, Z; An, J Upstate Medical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50534147 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50534147&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 155534891 440742729 C06396 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51332636 COc1cc(cc(OC)c1OC)C(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)N2CC(=O)Nc1ccccc1Cl InChI=1S/C26H32ClN3O5/c1-33-22-11-16(12-23(34-2)25(22)35-3)26(32)28-17-13-18-7-6-8-19(14-17)30(18)15-24(31)29-21-10-5-4-9-20(21)27/h4-5,9-12,17-19H,6-8,13-15H2,1-3H3,(H,28,32)(H,29,31)/t17-,18-,19+ SSPYAPRDKNCABY-LDLYASANSA-N 50539457 CHEMBL4645971 C-X-C chemokine receptor type 4 >80000 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539457 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539457&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 71768224 442141020 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51339090 NC(=O)C([C@@H]1CCN(CCOc2ccc(cc2)-c2nccs2)C1)(c1ccccc1)c1ccccc1 InChI=1S/C29H29N3O2S/c30-28(33)29(23-7-3-1-4-8-23,24-9-5-2-6-10-24)25-15-17-32(21-25)18-19-34-26-13-11-22(12-14-26)27-31-16-20-35-27/h1-14,16,20,25H,15,17-19,21H2,(H2,30,33)/t25-/m1/s1 KMXFISMMVQHBPO-RUZDIDTESA-N 50542061 CHEMBL4634148 C-X-C chemokine receptor type 4 >15000 ChEMBL 10.1021/acsmedchemlett.0c00163 10.7270/Q2J38X4M 32551020 Menhaji-Klotz, E; Ward, J; Brown, JA; Loria, PM; Tan, C; Hesp, KD; Riccardi, KA; Litchfield, J; Boehm, M Pfizer Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50542061 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50542061&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 156010922 442143624 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51368016 CNC(=O)COCC(=O)NCCCCCCNC(=O)COCC(=O)NC[C@H]1CC[C@@H](CC1)\N=C(\NC1CCCCC1)SCC1=CSC2=NC(C)(C)CN12 InChI=1S/C37H62N8O6S2/c1-37(2)26-45-30(25-53-36(45)44-37)24-52-35(42-28-11-7-6-8-12-28)43-29-15-13-27(14-16-29)19-41-34(49)23-51-22-33(48)40-18-10-5-4-9-17-39-32(47)21-50-20-31(46)38-3/h25,27-29H,4-24,26H2,1-3H3,(H,38,46)(H,39,47)(H,40,48)(H,41,49)(H,42,43)/t27-,29- HTRADHDPEWKPQU-KWQFAZJVSA-N 50553074 CHEMBL4791514 C-X-C chemokine receptor type 4 78300 ChEMBL 10.1039/c9md00433e 10.7270/Q2BR8WSD 33479612 Reinecke, BA; Kang, G; Zheng, Y; Obeng, S; Zhang, H; Selley, DE; An, J; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50553074 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50553074&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 162670980 461691842 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51368017 CC1(C)CN2C(CS\C(NC3CCCCC3)=N/[C@H]3CC[C@H](CNC(=O)COCC(=O)NCCCCCCNC(=O)COCC(=O)N[C@@H]4CC[C@@]5(O)[C@H]6Cc7ccc(O)c8O[C@@H]4[C@]5(CCN6CC4CC4)c78)CC3)=CSC2=N1 InChI=1S/C56H83N9O9S2/c1-54(2)35-65-41(34-76-53(65)63-54)33-75-52(60-39-10-6-5-7-11-39)61-40-17-14-36(15-18-40)27-59-47(69)31-72-29-45(67)57-23-8-3-4-9-24-58-46(68)30-73-32-48(70)62-42-20-21-56(71)44-26-38-16-19-43(66)50-49(38)55(56,51(42)74-50)22-25-64(44)28-37-12-13-37/h16,19,34,36-37,39-40,42,44,51,66,71H,3-15,17-18,20-33,35H2,1-2H3,(H,57,67)(H,58,68)(H,59,69)(H,60,61)(H,62,70)/t36-,40-,42-,44-,51+,55+,56-/m1/s1 DNKQKLGPPWSTRG-DZFPSEJVSA-N 50553072 CHEMBL4750948 C-X-C chemokine receptor type 4 3300 ChEMBL 10.1039/c9md00433e 10.7270/Q2BR8WSD 33479612 Reinecke, BA; Kang, G; Zheng, Y; Obeng, S; Zhang, H; Selley, DE; An, J; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50553072 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50553072&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 162652106 461691840 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51368018 CC1(C)CN2C(CS\C(NC3CCCCC3)=N/C3CCCCC3)=CSC2=N1 InChI=1S/C21H34N4S2/c1-21(2)15-25-18(14-27-20(25)24-21)13-26-19(22-16-9-5-3-6-10-16)23-17-11-7-4-8-12-17/h14,16-17H,3-13,15H2,1-2H3,(H,22,23) OOSUDWRRWZVFEB-UHFFFAOYSA-N 50247128 (6,6-dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)methyl N,N'-dicyclohexylimidothiocarbamate::1,3-dicyclohexyl-2-((6,6-dimethyl-5,6-dihydroimidazo[2,1-b]thiazol-3-yl)methyl)isothiourea::CHEMBL460491 C-X-C chemokine receptor type 4 32600 ChEMBL 10.1039/c9md00433e 10.7270/Q2BR8WSD 33479612 Reinecke, BA; Kang, G; Zheng, Y; Obeng, S; Zhang, H; Selley, DE; An, J; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50247128 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50247128&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search ITD 3OE6,3OE9,3OE8,3ODU 25147749 104102288 CHEMBL460491 2899 ZINC96319476 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51385886 COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN(C#N)[C@@H](C[C@H]12)c1[nH]c2ccccc2c1CCn1cc(nn1)-c1cccc(Cl)c1 50559936 CHEMBL4744046 C-X-C chemokine receptor type 4 7940 ChEMBL 10.1016/j.bmc.2020.115546 10.7270/Q2F193D1 32616180 Paciaroni, NG; Norwood, VM; Ratnayake, R; Luesch, H; Huigens, RW University of Florida http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50559936 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50559936&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 132072454 461830328 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51390607 CC1(C)CN2C(CS\C(N)=N/[C@H]3CC[C@H](CNC(=O)COCC(=O)NCCCCNC(=O)COCC(=O)N[C@@H]4CC[C@@]5(O)[C@H]6Cc7ccc(O)c8O[C@@H]4[C@]5(CCN6CC4CC4)c78)CC3)=CSC2=N1 InChI=1S/C48H69N9O9S2/c1-46(2)28-57-33(27-68-45(57)55-46)26-67-44(49)53-32-10-7-29(8-11-32)20-52-39(61)24-64-22-37(59)50-16-3-4-17-51-38(60)23-65-25-40(62)54-34-13-14-48(63)36-19-31-9-12-35(58)42-41(31)47(48,43(34)66-42)15-18-56(36)21-30-5-6-30/h9,12,27,29-30,32,34,36,43,58,63H,3-8,10-11,13-26,28H2,1-2H3,(H2,49,53)(H,50,59)(H,51,60)(H,52,61)(H,54,62)/t29-,32-,34-,36-,43+,47+,48-/m1/s1 MJZIMFHRLDKHOO-RKTVTGNMSA-N 50561914 CHEMBL4784104 C-X-C chemokine receptor type 4 3600 ChEMBL 10.1021/acsmedchemlett.0c00444 10.7270/Q2M04947 33214847 Ma, H; Wang, H; Li, M; Barreto-de-Souza, V; Reinecke, BA; Gunta, R; Zheng, Y; Kang, G; Nassehi, N; Zhang, H; An, J; Selley, DE; Hauser, KF; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50561914 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50561914&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 162666072 461832306 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51390608 CNC(=O)COCC(=O)NCCCCNC(=O)COCC(=O)NC[C@H]1CC[C@@H](CC1)\N=C(/NC1CCCCC1)SCC1=CSC2=NC(C)(C)CN12 InChI=1S/C35H58N8O6S2/c1-35(2)24-43-28(23-51-34(43)42-35)22-50-33(40-26-9-5-4-6-10-26)41-27-13-11-25(12-14-27)17-39-32(47)21-49-20-31(46)38-16-8-7-15-37-30(45)19-48-18-29(44)36-3/h23,25-27H,4-22,24H2,1-3H3,(H,36,44)(H,37,45)(H,38,46)(H,39,47)(H,40,41)/t25-,27- CFYAXNRXEOCJSZ-DUYHBEBVSA-N 50561917 CHEMBL4789939 C-X-C chemokine receptor type 4 69000 ChEMBL 10.1021/acsmedchemlett.0c00444 10.7270/Q2M04947 33214847 Ma, H; Wang, H; Li, M; Barreto-de-Souza, V; Reinecke, BA; Gunta, R; Zheng, Y; Kang, G; Nassehi, N; Zhang, H; An, J; Selley, DE; Hauser, KF; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50561917 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50561917&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 162669065 461832309 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51390609 CC1(C)CN2C(CS\C(NC3CCCCC3)=N/C3CCCCC3)=CSC2=N1 InChI=1S/C21H34N4S2/c1-21(2)15-25-18(14-27-20(25)24-21)13-26-19(22-16-9-5-3-6-10-16)23-17-11-7-4-8-12-17/h14,16-17H,3-13,15H2,1-2H3,(H,22,23) OOSUDWRRWZVFEB-UHFFFAOYSA-N 50247128 (6,6-dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)methyl N,N'-dicyclohexylimidothiocarbamate::1,3-dicyclohexyl-2-((6,6-dimethyl-5,6-dihydroimidazo[2,1-b]thiazol-3-yl)methyl)isothiourea::CHEMBL460491 C-X-C chemokine receptor type 4 7.4 ChEMBL 10.1021/acsmedchemlett.0c00444 10.7270/Q2M04947 33214847 Ma, H; Wang, H; Li, M; Barreto-de-Souza, V; Reinecke, BA; Gunta, R; Zheng, Y; Kang, G; Nassehi, N; Zhang, H; An, J; Selley, DE; Hauser, KF; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50247128 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50247128&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search ITD 3OE6,3OE9,3OE8,3ODU 25147749 104102288 CHEMBL460491 2899 ZINC96319476 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51390610 CC1(C)CN2C(CS\C(NC3CCCCC3)=N/[C@H]3CC[C@H](CNC(=O)COCC(=O)NCCCCCCNC(=O)COCC(=O)N[C@@H]4CC[C@@]5(O)[C@H]6Cc7ccc(O)c8O[C@@H]4[C@]5(CCN6CC4CC4)c78)CC3)=CSC2=N1 InChI=1S/C56H83N9O9S2/c1-54(2)35-65-41(34-76-53(65)63-54)33-75-52(60-39-10-6-5-7-11-39)61-40-17-14-36(15-18-40)27-59-47(69)31-72-29-45(67)57-23-8-3-4-9-24-58-46(68)30-73-32-48(70)62-42-20-21-56(71)44-26-38-16-19-43(66)50-49(38)55(56,51(42)74-50)22-25-64(44)28-37-12-13-37/h16,19,34,36-37,39-40,42,44,51,66,71H,3-15,17-18,20-33,35H2,1-2H3,(H,57,67)(H,58,68)(H,59,69)(H,60,61)(H,62,70)/t36-,40-,42-,44-,51+,55+,56-/m1/s1 DNKQKLGPPWSTRG-DZFPSEJVSA-N 50553072 CHEMBL4750948 C-X-C chemokine receptor type 4 17 ChEMBL 10.1021/acsmedchemlett.0c00444 10.7270/Q2M04947 33214847 Ma, H; Wang, H; Li, M; Barreto-de-Souza, V; Reinecke, BA; Gunta, R; Zheng, Y; Kang, G; Nassehi, N; Zhang, H; An, J; Selley, DE; Hauser, KF; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50553072 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50553072&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 162652106 461691840 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51390611 CC1(C)CN2C(CS\C(N)=N/[C@H]3CC[C@H](CNC(=O)COCC(=O)NCCCCNC(=O)COCC(=O)N[C@@H]4CC[C@@]5(O)[C@H]6Cc7ccc(O)c8O[C@@H]4[C@]5(CCN6CC4CC4)c78)CC3)=CSC2=N1 InChI=1S/C48H69N9O9S2/c1-46(2)28-57-33(27-68-45(57)55-46)26-67-44(49)53-32-10-7-29(8-11-32)20-52-39(61)24-64-22-37(59)50-16-3-4-17-51-38(60)23-65-25-40(62)54-34-13-14-48(63)36-19-31-9-12-35(58)42-41(31)47(48,43(34)66-42)15-18-56(36)21-30-5-6-30/h9,12,27,29-30,32,34,36,43,58,63H,3-8,10-11,13-26,28H2,1-2H3,(H2,49,53)(H,50,59)(H,51,60)(H,52,61)(H,54,62)/t29-,32-,34-,36-,43+,47+,48-/m1/s1 MJZIMFHRLDKHOO-RKTVTGNMSA-N 50561914 CHEMBL4784104 C-X-C chemokine receptor type 4 8300 ChEMBL 10.1021/acsmedchemlett.0c00444 10.7270/Q2M04947 33214847 Ma, H; Wang, H; Li, M; Barreto-de-Souza, V; Reinecke, BA; Gunta, R; Zheng, Y; Kang, G; Nassehi, N; Zhang, H; An, J; Selley, DE; Hauser, KF; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50561914 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50561914&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 162666072 461832306 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51390612 CNC(=O)COCC(=O)NCCCCNC(=O)COCC(=O)NC[C@H]1CC[C@@H](CC1)\N=C(/NC1CCCCC1)SCC1=CSC2=NC(C)(C)CN12 InChI=1S/C35H58N8O6S2/c1-35(2)24-43-28(23-51-34(43)42-35)22-50-33(40-26-9-5-4-6-10-26)41-27-13-11-25(12-14-27)17-39-32(47)21-49-20-31(46)38-16-8-7-15-37-30(45)19-48-18-29(44)36-3/h23,25-27H,4-22,24H2,1-3H3,(H,36,44)(H,37,45)(H,38,46)(H,39,47)(H,40,41)/t25-,27- CFYAXNRXEOCJSZ-DUYHBEBVSA-N 50561917 CHEMBL4789939 C-X-C chemokine receptor type 4 53000 ChEMBL 10.1021/acsmedchemlett.0c00444 10.7270/Q2M04947 33214847 Ma, H; Wang, H; Li, M; Barreto-de-Souza, V; Reinecke, BA; Gunta, R; Zheng, Y; Kang, G; Nassehi, N; Zhang, H; An, J; Selley, DE; Hauser, KF; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50561917 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50561917&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 162669065 461832309 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51390613 CC1(C)CN2C(CS\C(NC3CCCCC3)=N/C3CCCCC3)=CSC2=N1 InChI=1S/C21H34N4S2/c1-21(2)15-25-18(14-27-20(25)24-21)13-26-19(22-16-9-5-3-6-10-16)23-17-11-7-4-8-12-17/h14,16-17H,3-13,15H2,1-2H3,(H,22,23) OOSUDWRRWZVFEB-UHFFFAOYSA-N 50247128 (6,6-dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)methyl N,N'-dicyclohexylimidothiocarbamate::1,3-dicyclohexyl-2-((6,6-dimethyl-5,6-dihydroimidazo[2,1-b]thiazol-3-yl)methyl)isothiourea::CHEMBL460491 C-X-C chemokine receptor type 4 33 ChEMBL 10.1021/acsmedchemlett.0c00444 10.7270/Q2M04947 33214847 Ma, H; Wang, H; Li, M; Barreto-de-Souza, V; Reinecke, BA; Gunta, R; Zheng, Y; Kang, G; Nassehi, N; Zhang, H; An, J; Selley, DE; Hauser, KF; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50247128 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50247128&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search ITD 3OE6,3OE9,3OE8,3ODU 25147749 104102288 CHEMBL460491 2899 ZINC96319476 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51372941 Fc1ccc(-c2cc(no2)C(=O)N[C@H]2CCN(CC3CC3)C[C@@H]2C(=O)NC2(CC2)c2ncccn2)c(F)c1 InChI=1S/C27H28F2N6O3/c28-17-4-5-18(20(29)12-17)23-13-22(34-38-23)25(37)32-21-6-11-35(14-16-2-3-16)15-19(21)24(36)33-27(7-8-27)26-30-9-1-10-31-26/h1,4-5,9-10,12-13,16,19,21H,2-3,6-8,11,14-15H2,(H,32,37)(H,33,36)/t19-,21-/m0/s1 IIDSHAJKXPUYSL-FPOVZHCZSA-N 50555343 CHEMBL4782111::US11306078, Example 4.032 C-X-C chemokine receptor type 4 >10000 ChEMBL 10.1021/acs.jmedchem.0c01588 10.7270/Q20P13P3 33314938 Richard-Bildstein, S; Aissaoui, H; Pothier, J; Schäfer, G; Gnerre, C; Lindenberg, E; Lehembre, F; Pouzol, L; Guerry, P Idorsia Pharmaceuticals Ltd. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50555343 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50555343&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 139360137 461694111 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51373631 C(N1CCCNCCNCCCNCC1)c1ccc(CN2CCCNCCNCCCNCC2)cc1 InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2 YIQPUIGJQJDJOS-UHFFFAOYSA-N 50035696 1,1''-{1,4-phenylenebis(methylene)}-bis{1,4,8,11-tetraaza-cyclotetradecane}::1,4,8,11-tetraazacyclotetradecanyl[4-(1,4,8,11-tetraazacyclotetradecanylmethyl)phenyl]methane::1,4,8,11-tetraazacyclotetradecanyl[4-(1,4,8,11-tetraazacyclotetradecanylmethyl)phenyl]methane(8HBr.2H2O)::1,4-bis((1,4,8,11-tetraazacyclotetradecan-1-yl)methyl)benzene::11''-xylyl bis-1,4,8,11-tetraazacyclotetradecane::11-{4-[4,8, 11-1,4,8,11tetraaza-cyclotetradec-1-ylmethyl]-benzyl}-1,4,8,11tetraaza-cyclotetradecane-1,4,8-tricarboxylic acid tri-tert-butyl ester::AMD-3100::CHEMBL18442::CHEMBL2311089::PLERIXAFOR::PLERIXAFOR OCTAHYDROCHLORIDE::US9205085, MSX-162 C-X-C chemokine receptor type 4 6.1 ChEMBL 10.1016/j.ejmech.2019.111914 10.7270/Q2Q81HRB 31806538 Zhu, F; Wang, Y; Du, Q; Ge, W; Li, Z; Wang, X; Fu, C; Luo, L; Tian, S; Ma, H; Zheng, J; Zhang, Y; Sun, X; He, S; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50035696 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50035696&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 65015 103943663 CHEMBL2311089CHEMBL18442 DB06809 844 ZINC22443609 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51373632 CN(Cc1cc(nc(C)n1)N1CCN(C)CC1)[C@H]1CCCc2cccnc12 InChI=1S/C21H30N6/c1-16-23-18(14-20(24-16)27-12-10-25(2)11-13-27)15-26(3)19-8-4-6-17-7-5-9-22-21(17)19/h5,7,9,14,19H,4,6,8,10-13,15H2,1-3H3/t19-/m0/s1 JBMFUTZFKCPWOQ-IBGZPJMESA-N 50555514 CHEMBL4751485 C-X-C chemokine receptor type 4 0.020000 ChEMBL 10.1016/j.ejmech.2019.111914 10.7270/Q2Q81HRB 31806538 Zhu, F; Wang, Y; Du, Q; Ge, W; Li, Z; Wang, X; Fu, C; Luo, L; Tian, S; Ma, H; Zheng, J; Zhang, Y; Sun, X; He, S; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50555514 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50555514&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 138501621 461694282 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51373633 CCN1CCN(CC1)c1cc(CN(C)[C@H]2CCCc3cccnc23)nc(C)n1 InChI=1S/C22H32N6/c1-4-27-11-13-28(14-12-27)21-15-19(24-17(2)25-21)16-26(3)20-9-5-7-18-8-6-10-23-22(18)20/h6,8,10,15,20H,4-5,7,9,11-14,16H2,1-3H3/t20-/m0/s1 OIPXMGDUFOASGE-FQEVSTJZSA-N 50555515 CHEMBL4776865 C-X-C chemokine receptor type 4 10.0 ChEMBL 10.1016/j.ejmech.2019.111914 10.7270/Q2Q81HRB 31806538 Zhu, F; Wang, Y; Du, Q; Ge, W; Li, Z; Wang, X; Fu, C; Luo, L; Tian, S; Ma, H; Zheng, J; Zhang, Y; Sun, X; He, S; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50555515 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50555515&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 138501629 461694283 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51373634 CN1CCN(CC1)c1cc(CN(CC2CC2)C2CCCc3cccnc23)nc(C)n1 InChI=1S/C24H34N6/c1-18-26-21(15-23(27-18)29-13-11-28(2)12-14-29)17-30(16-19-8-9-19)22-7-3-5-20-6-4-10-25-24(20)22/h4,6,10,15,19,22H,3,5,7-9,11-14,16-17H2,1-2H3 OXWMFRRCLBJBAT-UHFFFAOYSA-N 50555516 CHEMBL4784173 C-X-C chemokine receptor type 4 51 ChEMBL 10.1016/j.ejmech.2019.111914 10.7270/Q2Q81HRB 31806538 Zhu, F; Wang, Y; Du, Q; Ge, W; Li, Z; Wang, X; Fu, C; Luo, L; Tian, S; Ma, H; Zheng, J; Zhang, Y; Sun, X; He, S; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50555516 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50555516&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 138501642 461694284 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51373635 CN(Cc1cc(nc(n1)-c1cnn(C)c1)N1CCN(C)CC1)C1CCCc2cccnc12 InChI=1S/C24H32N8/c1-29-10-12-32(13-11-29)22-14-20(27-24(28-22)19-15-26-31(3)16-19)17-30(2)21-8-4-6-18-7-5-9-25-23(18)21/h5,7,9,14-16,21H,4,6,8,10-13,17H2,1-3H3 MPANCIFVAOMEHK-UHFFFAOYSA-N 50555517 CHEMBL4759222 C-X-C chemokine receptor type 4 1294 ChEMBL 10.1016/j.ejmech.2019.111914 10.7270/Q2Q81HRB 31806538 Zhu, F; Wang, Y; Du, Q; Ge, W; Li, Z; Wang, X; Fu, C; Luo, L; Tian, S; Ma, H; Zheng, J; Zhang, Y; Sun, X; He, S; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50555517 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50555517&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 138501447 461694285 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51373636 CC(C)c1nc(CN(C)C2CCCc3cccnc23)cc(n1)N1CCN(C)CC1 InChI=1S/C23H34N6/c1-17(2)23-25-19(15-21(26-23)29-13-11-27(3)12-14-29)16-28(4)20-9-5-7-18-8-6-10-24-22(18)20/h6,8,10,15,17,20H,5,7,9,11-14,16H2,1-4H3 MWDJZPAXVDUJFO-UHFFFAOYSA-N 50555518 CHEMBL4788777 C-X-C chemokine receptor type 4 256 ChEMBL 10.1016/j.ejmech.2019.111914 10.7270/Q2Q81HRB 31806538 Zhu, F; Wang, Y; Du, Q; Ge, W; Li, Z; Wang, X; Fu, C; Luo, L; Tian, S; Ma, H; Zheng, J; Zhang, Y; Sun, X; He, S; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50555518 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50555518&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 138501441 461694286 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51373637 CC(C)Nc1nc(CN(C)C2CCCc3cccnc23)cc(n1)N1CCN(C)CC1 InChI=1S/C23H35N7/c1-17(2)25-23-26-19(15-21(27-23)30-13-11-28(3)12-14-30)16-29(4)20-9-5-7-18-8-6-10-24-22(18)20/h6,8,10,15,17,20H,5,7,9,11-14,16H2,1-4H3,(H,25,26,27) UUAZXZMLXPBEGD-UHFFFAOYSA-N 50555519 CHEMBL4763507 C-X-C chemokine receptor type 4 930 ChEMBL 10.1016/j.ejmech.2019.111914 10.7270/Q2Q81HRB 31806538 Zhu, F; Wang, Y; Du, Q; Ge, W; Li, Z; Wang, X; Fu, C; Luo, L; Tian, S; Ma, H; Zheng, J; Zhang, Y; Sun, X; He, S; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50555519 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50555519&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 138501454 461694287 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51373638 CN(Cc1cc(nc(N)n1)N1CCN(C)CC1)C1CCCc2cccnc12 InChI=1S/C20H29N7/c1-25-9-11-27(12-10-25)18-13-16(23-20(21)24-18)14-26(2)17-7-3-5-15-6-4-8-22-19(15)17/h4,6,8,13,17H,3,5,7,9-12,14H2,1-2H3,(H2,21,23,24) FPXDIWPSDVIKDE-UHFFFAOYSA-N 50555520 CHEMBL4762385 C-X-C chemokine receptor type 4 23 ChEMBL 10.1016/j.ejmech.2019.111914 10.7270/Q2Q81HRB 31806538 Zhu, F; Wang, Y; Du, Q; Ge, W; Li, Z; Wang, X; Fu, C; Luo, L; Tian, S; Ma, H; Zheng, J; Zhang, Y; Sun, X; He, S; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50555520 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50555520&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 138501722 461694288 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51373639 COc1nc(CN(C)C2CCCc3cccnc23)cc(n1)N1CCN(C)CC1 InChI=1S/C21H30N6O/c1-25-10-12-27(13-11-25)19-14-17(23-21(24-19)28-3)15-26(2)18-8-4-6-16-7-5-9-22-20(16)18/h5,7,9,14,18H,4,6,8,10-13,15H2,1-3H3 GXAASLPAHRRQET-UHFFFAOYSA-N 50555521 CHEMBL4741655 C-X-C chemokine receptor type 4 25 ChEMBL 10.1016/j.ejmech.2019.111914 10.7270/Q2Q81HRB 31806538 Zhu, F; Wang, Y; Du, Q; Ge, W; Li, Z; Wang, X; Fu, C; Luo, L; Tian, S; Ma, H; Zheng, J; Zhang, Y; Sun, X; He, S; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50555521 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50555521&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 138501721 461694289 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51373640 CN(Cc1cc(nc(C)n1)N1CCN(C)CC1)[C@H]1CCCc2cccnc12 InChI=1S/C21H30N6/c1-16-23-18(14-20(24-16)27-12-10-25(2)11-13-27)15-26(3)19-8-4-6-17-7-5-9-22-21(17)19/h5,7,9,14,19H,4,6,8,10-13,15H2,1-3H3/t19-/m0/s1 JBMFUTZFKCPWOQ-IBGZPJMESA-N 50555514 CHEMBL4751485 C-X-C chemokine receptor type 4 8.8 ChEMBL 10.1016/j.ejmech.2019.111914 10.7270/Q2Q81HRB 31806538 Zhu, F; Wang, Y; Du, Q; Ge, W; Li, Z; Wang, X; Fu, C; Luo, L; Tian, S; Ma, H; Zheng, J; Zhang, Y; Sun, X; He, S; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50555514 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50555514&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 138501621 461694282 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51373641 CN(Cc1cc(nc(n1)N1CCOCC1)N1CCN(C)CC1)C1CCCc2cccnc12 InChI=1S/C24H35N7O/c1-28-9-11-30(12-10-28)22-17-20(26-24(27-22)31-13-15-32-16-14-31)18-29(2)21-7-3-5-19-6-4-8-25-23(19)21/h4,6,8,17,21H,3,5,7,9-16,18H2,1-2H3 PRZDJFKLMYQRHD-UHFFFAOYSA-N 50555522 CHEMBL4787898 C-X-C chemokine receptor type 4 2442 ChEMBL 10.1016/j.ejmech.2019.111914 10.7270/Q2Q81HRB 31806538 Zhu, F; Wang, Y; Du, Q; Ge, W; Li, Z; Wang, X; Fu, C; Luo, L; Tian, S; Ma, H; Zheng, J; Zhang, Y; Sun, X; He, S; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50555522 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50555522&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 138501727 461694290 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51373642 C(N1CCCNCCNCCCNCC1)c1ccc(CN2CCCNCCNCCCNCC2)cc1 InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2 YIQPUIGJQJDJOS-UHFFFAOYSA-N 50035696 1,1''-{1,4-phenylenebis(methylene)}-bis{1,4,8,11-tetraaza-cyclotetradecane}::1,4,8,11-tetraazacyclotetradecanyl[4-(1,4,8,11-tetraazacyclotetradecanylmethyl)phenyl]methane::1,4,8,11-tetraazacyclotetradecanyl[4-(1,4,8,11-tetraazacyclotetradecanylmethyl)phenyl]methane(8HBr.2H2O)::1,4-bis((1,4,8,11-tetraazacyclotetradecan-1-yl)methyl)benzene::11''-xylyl bis-1,4,8,11-tetraazacyclotetradecane::11-{4-[4,8, 11-1,4,8,11tetraaza-cyclotetradec-1-ylmethyl]-benzyl}-1,4,8,11tetraaza-cyclotetradecane-1,4,8-tricarboxylic acid tri-tert-butyl ester::AMD-3100::CHEMBL18442::CHEMBL2311089::PLERIXAFOR::PLERIXAFOR OCTAHYDROCHLORIDE::US9205085, MSX-162 C-X-C chemokine receptor type 4 303 ChEMBL 10.1016/j.ejmech.2019.111914 10.7270/Q2Q81HRB 31806538 Zhu, F; Wang, Y; Du, Q; Ge, W; Li, Z; Wang, X; Fu, C; Luo, L; Tian, S; Ma, H; Zheng, J; Zhang, Y; Sun, X; He, S; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50035696 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50035696&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 65015 103943663 CHEMBL2311089CHEMBL18442 DB06809 844 ZINC22443609 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51373643 CN(Cc1cc(ncn1)N1CCN(C)CC1)[C@H]1CCCc2cccnc12 InChI=1S/C20H28N6/c1-24-9-11-26(12-10-24)19-13-17(22-15-23-19)14-25(2)18-7-3-5-16-6-4-8-21-20(16)18/h4,6,8,13,15,18H,3,5,7,9-12,14H2,1-2H3/t18-/m0/s1 LPTRCGOYHAYNCF-SFHVURJKSA-N 50458238 CHEMBL4203703 C-X-C chemokine receptor type 4 88 ChEMBL 10.1016/j.ejmech.2019.111914 10.7270/Q2Q81HRB 31806538 Zhu, F; Wang, Y; Du, Q; Ge, W; Li, Z; Wang, X; Fu, C; Luo, L; Tian, S; Ma, H; Zheng, J; Zhang, Y; Sun, X; He, S; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50458238 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50458238&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 145975799 433925503 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51373644 CN(Cc1cc(nc(C)n1)N(C)CCO)[C@H]1CCCc2cccnc12 InChI=1S/C19H27N5O/c1-14-21-16(12-18(22-14)23(2)10-11-25)13-24(3)17-8-4-6-15-7-5-9-20-19(15)17/h5,7,9,12,17,25H,4,6,8,10-11,13H2,1-3H3/t17-/m0/s1 NWJGALOCPDSVPZ-KRWDZBQOSA-N 50555523 CHEMBL4796937 C-X-C chemokine receptor type 4 >10000 ChEMBL 10.1016/j.ejmech.2019.111914 10.7270/Q2Q81HRB 31806538 Zhu, F; Wang, Y; Du, Q; Ge, W; Li, Z; Wang, X; Fu, C; Luo, L; Tian, S; Ma, H; Zheng, J; Zhang, Y; Sun, X; He, S; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50555523 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50555523&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 162674972 461694291 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51373645 CN(Cc1cc(NCCCN2CCOCC2)nc(C)n1)[C@H]1CCCc2cccnc12 InChI=1S/C23H34N6O/c1-18-26-20(16-22(27-18)24-10-5-11-29-12-14-30-15-13-29)17-28(2)21-8-3-6-19-7-4-9-25-23(19)21/h4,7,9,16,21H,3,5-6,8,10-15,17H2,1-2H3,(H,24,26,27)/t21-/m0/s1 BKIKXFUYXLJCAG-NRFANRHFSA-N 50555524 CHEMBL4785495 C-X-C chemokine receptor type 4 36 ChEMBL 10.1016/j.ejmech.2019.111914 10.7270/Q2Q81HRB 31806538 Zhu, F; Wang, Y; Du, Q; Ge, W; Li, Z; Wang, X; Fu, C; Luo, L; Tian, S; Ma, H; Zheng, J; Zhang, Y; Sun, X; He, S; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50555524 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50555524&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 138501634 461694292 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51373646 CN(Cc1cc(NCCN2CCOCC2)nc(C)n1)[C@H]1CCCc2cccnc12 InChI=1S/C22H32N6O/c1-17-25-19(15-21(26-17)23-9-10-28-11-13-29-14-12-28)16-27(2)20-7-3-5-18-6-4-8-24-22(18)20/h4,6,8,15,20H,3,5,7,9-14,16H2,1-2H3,(H,23,25,26)/t20-/m0/s1 BXLFBFWLJHYUJV-FQEVSTJZSA-N 50555525 CHEMBL4744555 C-X-C chemokine receptor type 4 66 ChEMBL 10.1016/j.ejmech.2019.111914 10.7270/Q2Q81HRB 31806538 Zhu, F; Wang, Y; Du, Q; Ge, W; Li, Z; Wang, X; Fu, C; Luo, L; Tian, S; Ma, H; Zheng, J; Zhang, Y; Sun, X; He, S; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50555525 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50555525&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 138501638 461694293 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51373647 CN(Cc1cc(nc(C)n1)N1CCC(CC1)N1CCN(C)CC1)[C@H]1CCCc2cccnc12 InChI=1S/C26H39N7/c1-20-28-22(19-31(3)24-8-4-6-21-7-5-11-27-26(21)24)18-25(29-20)33-12-9-23(10-13-33)32-16-14-30(2)15-17-32/h5,7,11,18,23-24H,4,6,8-10,12-17,19H2,1-3H3/t24-/m0/s1 BGUZRQSQAVIFOT-DEOSSOPVSA-N 50555526 CHEMBL4749488 C-X-C chemokine receptor type 4 96 ChEMBL 10.1016/j.ejmech.2019.111914 10.7270/Q2Q81HRB 31806538 Zhu, F; Wang, Y; Du, Q; Ge, W; Li, Z; Wang, X; Fu, C; Luo, L; Tian, S; Ma, H; Zheng, J; Zhang, Y; Sun, X; He, S; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50555526 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50555526&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 142549051 461694294 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51373648 CN(Cc1cc(nc(C)n1)N1CCC(CC1)N1CCOCC1)[C@H]1CCCc2cccnc12 InChI=1S/C25H36N6O/c1-19-27-21(18-29(2)23-7-3-5-20-6-4-10-26-25(20)23)17-24(28-19)31-11-8-22(9-12-31)30-13-15-32-16-14-30/h4,6,10,17,22-23H,3,5,7-9,11-16,18H2,1-2H3/t23-/m0/s1 KXTGLNYATQXBKQ-QHCPKHFHSA-N 50555527 CHEMBL4746043 C-X-C chemokine receptor type 4 101 ChEMBL 10.1016/j.ejmech.2019.111914 10.7270/Q2Q81HRB 31806538 Zhu, F; Wang, Y; Du, Q; Ge, W; Li, Z; Wang, X; Fu, C; Luo, L; Tian, S; Ma, H; Zheng, J; Zhang, Y; Sun, X; He, S; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50555527 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50555527&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 138501641 461694295 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51373649 CN(Cc1cc(nc(C)n1)N1CCN2CCC[C@H]2C1)[C@H]1CCCc2cccnc12 InChI=1S/C23H32N6/c1-17-25-19(14-22(26-17)29-13-12-28-11-5-8-20(28)16-29)15-27(2)21-9-3-6-18-7-4-10-24-23(18)21/h4,7,10,14,20-21H,3,5-6,8-9,11-13,15-16H2,1-2H3/t20-,21-/m0/s1 QDRYPHNMWBQUIU-SFTDATJTSA-N 50555528 CHEMBL4762425 C-X-C chemokine receptor type 4 18 ChEMBL 10.1016/j.ejmech.2019.111914 10.7270/Q2Q81HRB 31806538 Zhu, F; Wang, Y; Du, Q; Ge, W; Li, Z; Wang, X; Fu, C; Luo, L; Tian, S; Ma, H; Zheng, J; Zhang, Y; Sun, X; He, S; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50555528 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50555528&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 138501633 461694296 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51373650 CN(Cc1cc(nc(C)n1)N1CCN2CCC[C@@H]2C1)[C@H]1CCCc2cccnc12 InChI=1S/C23H32N6/c1-17-25-19(14-22(26-17)29-13-12-28-11-5-8-20(28)16-29)15-27(2)21-9-3-6-18-7-4-10-24-23(18)21/h4,7,10,14,20-21H,3,5-6,8-9,11-13,15-16H2,1-2H3/t20-,21+/m1/s1 QDRYPHNMWBQUIU-RTWAWAEBSA-N 50555529 CHEMBL4747341 C-X-C chemokine receptor type 4 30 ChEMBL 10.1016/j.ejmech.2019.111914 10.7270/Q2Q81HRB 31806538 Zhu, F; Wang, Y; Du, Q; Ge, W; Li, Z; Wang, X; Fu, C; Luo, L; Tian, S; Ma, H; Zheng, J; Zhang, Y; Sun, X; He, S; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50555529 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50555529&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 138501632 461694297 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51373651 C[C@H]1CN(C[C@@H](C)N1C)c1cc(CN(C)[C@H]2CCCc3cccnc23)nc(C)n1 InChI=1S/C23H34N6/c1-16-13-29(14-17(2)28(16)5)22-12-20(25-18(3)26-22)15-27(4)21-10-6-8-19-9-7-11-24-23(19)21/h7,9,11-12,16-17,21H,6,8,10,13-15H2,1-5H3/t16-,17+,21-/m0/s1 AMAKANBXHLCMHH-FVJLSDCUSA-N 50555530 CHEMBL4763585 C-X-C chemokine receptor type 4 8.3 ChEMBL 10.1016/j.ejmech.2019.111914 10.7270/Q2Q81HRB 31806538 Zhu, F; Wang, Y; Du, Q; Ge, W; Li, Z; Wang, X; Fu, C; Luo, L; Tian, S; Ma, H; Zheng, J; Zhang, Y; Sun, X; He, S; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50555530 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50555530&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 138501645 461694298 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51373652 C[C@H]1CN(CCN1C)c1cc(CN(C)[C@H]2CCCc3cccnc23)nc(C)n1 InChI=1S/C22H32N6/c1-16-14-28(12-11-26(16)3)21-13-19(24-17(2)25-21)15-27(4)20-9-5-7-18-8-6-10-23-22(18)20/h6,8,10,13,16,20H,5,7,9,11-12,14-15H2,1-4H3/t16-,20-/m0/s1 LZMLDTRNPXORID-JXFKEZNVSA-N 50555531 CHEMBL4779872 C-X-C chemokine receptor type 4 14 ChEMBL 10.1016/j.ejmech.2019.111914 10.7270/Q2Q81HRB 31806538 Zhu, F; Wang, Y; Du, Q; Ge, W; Li, Z; Wang, X; Fu, C; Luo, L; Tian, S; Ma, H; Zheng, J; Zhang, Y; Sun, X; He, S; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50555531 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50555531&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 138501640 461694299 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51373653 C[C@@H]1CN(CCN1C)c1cc(CN(C)[C@H]2CCCc3cccnc23)nc(C)n1 InChI=1S/C22H32N6/c1-16-14-28(12-11-26(16)3)21-13-19(24-17(2)25-21)15-27(4)20-9-5-7-18-8-6-10-23-22(18)20/h6,8,10,13,16,20H,5,7,9,11-12,14-15H2,1-4H3/t16-,20+/m1/s1 LZMLDTRNPXORID-UZLBHIALSA-N 50555532 CHEMBL4741926 C-X-C chemokine receptor type 4 8.3 ChEMBL 10.1016/j.ejmech.2019.111914 10.7270/Q2Q81HRB 31806538 Zhu, F; Wang, Y; Du, Q; Ge, W; Li, Z; Wang, X; Fu, C; Luo, L; Tian, S; Ma, H; Zheng, J; Zhang, Y; Sun, X; He, S; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50555532 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50555532&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 138501643 461694300 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51373654 C[C@H]1CN(C)CCN1c1cc(CN(C)[C@H]2CCCc3cccnc23)nc(C)n1 InChI=1S/C22H32N6/c1-16-14-26(3)11-12-28(16)21-13-19(24-17(2)25-21)15-27(4)20-9-5-7-18-8-6-10-23-22(18)20/h6,8,10,13,16,20H,5,7,9,11-12,14-15H2,1-4H3/t16-,20-/m0/s1 DJSALXFDFCOWBD-JXFKEZNVSA-N 50555533 CHEMBL4756203 C-X-C chemokine receptor type 4 14 ChEMBL 10.1016/j.ejmech.2019.111914 10.7270/Q2Q81HRB 31806538 Zhu, F; Wang, Y; Du, Q; Ge, W; Li, Z; Wang, X; Fu, C; Luo, L; Tian, S; Ma, H; Zheng, J; Zhang, Y; Sun, X; He, S; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50555533 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50555533&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 138501639 461694301 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51373655 C[C@@H]1CN(C)CCN1c1cc(CN(C)[C@H]2CCCc3cccnc23)nc(C)n1 InChI=1S/C22H32N6/c1-16-14-26(3)11-12-28(16)21-13-19(24-17(2)25-21)15-27(4)20-9-5-7-18-8-6-10-23-22(18)20/h6,8,10,13,16,20H,5,7,9,11-12,14-15H2,1-4H3/t16-,20+/m1/s1 DJSALXFDFCOWBD-UZLBHIALSA-N 50555534 CHEMBL4749835 C-X-C chemokine receptor type 4 21 ChEMBL 10.1016/j.ejmech.2019.111914 10.7270/Q2Q81HRB 31806538 Zhu, F; Wang, Y; Du, Q; Ge, W; Li, Z; Wang, X; Fu, C; Luo, L; Tian, S; Ma, H; Zheng, J; Zhang, Y; Sun, X; He, S; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50555534 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50555534&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 138501644 461694302 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51373656 CN(Cc1cc(nc(C)n1)N1CCN(CC1)C1COC1)[C@H]1CCCc2cccnc12 InChI=1S/C23H32N6O/c1-17-25-19(14-27(2)21-7-3-5-18-6-4-8-24-23(18)21)13-22(26-17)29-11-9-28(10-12-29)20-15-30-16-20/h4,6,8,13,20-21H,3,5,7,9-12,14-16H2,1-2H3/t21-/m0/s1 KCPBEGLEDVYMAX-NRFANRHFSA-N 50555535 CHEMBL4783171 C-X-C chemokine receptor type 4 130 ChEMBL 10.1016/j.ejmech.2019.111914 10.7270/Q2Q81HRB 31806538 Zhu, F; Wang, Y; Du, Q; Ge, W; Li, Z; Wang, X; Fu, C; Luo, L; Tian, S; Ma, H; Zheng, J; Zhang, Y; Sun, X; He, S; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50555535 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50555535&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 138501802 461694303 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51373657 CN(Cc1cc(nc(C)n1)N1CCN(CC1)C1CC1)[C@H]1CCCc2cccnc12 InChI=1S/C23H32N6/c1-17-25-19(15-22(26-17)29-13-11-28(12-14-29)20-8-9-20)16-27(2)21-7-3-5-18-6-4-10-24-23(18)21/h4,6,10,15,20-21H,3,5,7-9,11-14,16H2,1-2H3/t21-/m0/s1 BBKLYKZXWKSILS-NRFANRHFSA-N 50555536 CHEMBL4752542 C-X-C chemokine receptor type 4 70 ChEMBL 10.1016/j.ejmech.2019.111914 10.7270/Q2Q81HRB 31806538 Zhu, F; Wang, Y; Du, Q; Ge, W; Li, Z; Wang, X; Fu, C; Luo, L; Tian, S; Ma, H; Zheng, J; Zhang, Y; Sun, X; He, S; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50555536 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50555536&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 138501794 461694304 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51373658 CCN(Cc1cc(nc(C)n1)N1CCN(C)CC1)C1CCCc2cccnc12 InChI=1S/C22H32N6/c1-4-27(20-9-5-7-18-8-6-10-23-22(18)20)16-19-15-21(25-17(2)24-19)28-13-11-26(3)12-14-28/h6,8,10,15,20H,4-5,7,9,11-14,16H2,1-3H3 HQZMUPSYOFJVOG-UHFFFAOYSA-N 50555537 CHEMBL4741628 C-X-C chemokine receptor type 4 17 ChEMBL 10.1016/j.ejmech.2019.111914 10.7270/Q2Q81HRB 31806538 Zhu, F; Wang, Y; Du, Q; Ge, W; Li, Z; Wang, X; Fu, C; Luo, L; Tian, S; Ma, H; Zheng, J; Zhang, Y; Sun, X; He, S; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50555537 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50555537&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 138501799 461694305 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51373659 CN(Cc1cc(nc(n1)-c1ccccc1)N1CCN(C)CC1)C1CCCc2cccnc12 InChI=1S/C26H32N6/c1-30-14-16-32(17-15-30)24-18-22(28-26(29-24)21-8-4-3-5-9-21)19-31(2)23-12-6-10-20-11-7-13-27-25(20)23/h3-5,7-9,11,13,18,23H,6,10,12,14-17,19H2,1-2H3 BMXZVGIKTAXJAW-UHFFFAOYSA-N 50555538 CHEMBL4748070 C-X-C chemokine receptor type 4 2891 ChEMBL 10.1016/j.ejmech.2019.111914 10.7270/Q2Q81HRB 31806538 Zhu, F; Wang, Y; Du, Q; Ge, W; Li, Z; Wang, X; Fu, C; Luo, L; Tian, S; Ma, H; Zheng, J; Zhang, Y; Sun, X; He, S; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50555538 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50555538&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 138501452 461694306 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51373660 CCc1nc(CN(C)C2CCCc3cccnc23)cc(n1)N1CCN(C)CC1 InChI=1S/C22H32N6/c1-4-20-24-18(15-21(25-20)28-13-11-26(2)12-14-28)16-27(3)19-9-5-7-17-8-6-10-23-22(17)19/h6,8,10,15,19H,4-5,7,9,11-14,16H2,1-3H3 XWBKNEJOYSLPTE-UHFFFAOYSA-N 50555539 CHEMBL4755917 C-X-C chemokine receptor type 4 25 ChEMBL 10.1016/j.ejmech.2019.111914 10.7270/Q2Q81HRB 31806538 Zhu, F; Wang, Y; Du, Q; Ge, W; Li, Z; Wang, X; Fu, C; Luo, L; Tian, S; Ma, H; Zheng, J; Zhang, Y; Sun, X; He, S; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50555539 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50555539&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 138501445 461694307 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51373661 CCNc1nc(CN(C)C2CCCc3cccnc23)cc(n1)N1CCN(C)CC1 InChI=1S/C22H33N7/c1-4-23-22-25-18(15-20(26-22)29-13-11-27(2)12-14-29)16-28(3)19-9-5-7-17-8-6-10-24-21(17)19/h6,8,10,15,19H,4-5,7,9,11-14,16H2,1-3H3,(H,23,25,26) SCGJNQQDLWWGHQ-UHFFFAOYSA-N 50555540 CHEMBL4796167 C-X-C chemokine receptor type 4 105 ChEMBL 10.1016/j.ejmech.2019.111914 10.7270/Q2Q81HRB 31806538 Zhu, F; Wang, Y; Du, Q; Ge, W; Li, Z; Wang, X; Fu, C; Luo, L; Tian, S; Ma, H; Zheng, J; Zhang, Y; Sun, X; He, S; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50555540 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50555540&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 138501453 461694308 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51373662 CC(C)Oc1nc(CN(C)C2CCCc3cccnc23)cc(n1)N1CCN(C)CC1 InChI=1S/C23H34N6O/c1-17(2)30-23-25-19(15-21(26-23)29-13-11-27(3)12-14-29)16-28(4)20-9-5-7-18-8-6-10-24-22(18)20/h6,8,10,15,17,20H,5,7,9,11-14,16H2,1-4H3 PUKHVOUPIFOKCT-UHFFFAOYSA-N 50555541 CHEMBL4761394 C-X-C chemokine receptor type 4 151 ChEMBL 10.1016/j.ejmech.2019.111914 10.7270/Q2Q81HRB 31806538 Zhu, F; Wang, Y; Du, Q; Ge, W; Li, Z; Wang, X; Fu, C; Luo, L; Tian, S; Ma, H; Zheng, J; Zhang, Y; Sun, X; He, S; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50555541 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50555541&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 138501622 461694309 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51373663 CN(Cc1nc(C)nc(N2CCN(C)CC2)c1C#N)C1CCCc2cccnc12 InChI=1S/C22H29N7/c1-16-25-19(18(14-23)22(26-16)29-12-10-27(2)11-13-29)15-28(3)20-8-4-6-17-7-5-9-24-21(17)20/h5,7,9,20H,4,6,8,10-13,15H2,1-3H3 RKLDEVPLRSVCRG-UHFFFAOYSA-N 50555542 CHEMBL4788248 C-X-C chemokine receptor type 4 33 ChEMBL 10.1016/j.ejmech.2019.111914 10.7270/Q2Q81HRB 31806538 Zhu, F; Wang, Y; Du, Q; Ge, W; Li, Z; Wang, X; Fu, C; Luo, L; Tian, S; Ma, H; Zheng, J; Zhang, Y; Sun, X; He, S; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50555542 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50555542&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 138501659 461694310 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51373664 CN(Cc1cc(nc(n1)N(C)CCO)N1CCN(C)CC1)C1CCCc2cccnc12 InChI=1S/C23H35N7O/c1-27-10-12-30(13-11-27)21-16-19(25-23(26-21)28(2)14-15-31)17-29(3)20-8-4-6-18-7-5-9-24-22(18)20/h5,7,9,16,20,31H,4,6,8,10-15,17H2,1-3H3 CXVNZPRJJUBDNI-UHFFFAOYSA-N 50555543 CHEMBL4797285 C-X-C chemokine receptor type 4 792 ChEMBL 10.1016/j.ejmech.2019.111914 10.7270/Q2Q81HRB 31806538 Zhu, F; Wang, Y; Du, Q; Ge, W; Li, Z; Wang, X; Fu, C; Luo, L; Tian, S; Ma, H; Zheng, J; Zhang, Y; Sun, X; He, S; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50555543 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50555543&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 138501723 461694311 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51373665 CN(Cc1cc(nc(n1)C(F)(F)F)N1CCN(C)CC1)[C@H]1CCCc2cccnc12 InChI=1S/C21H27F3N6/c1-28-9-11-30(12-10-28)18-13-16(26-20(27-18)21(22,23)24)14-29(2)17-7-3-5-15-6-4-8-25-19(15)17/h4,6,8,13,17H,3,5,7,9-12,14H2,1-2H3/t17-/m0/s1 GLJXQXDJHIHBQR-KRWDZBQOSA-N 50555544 CHEMBL4799317 C-X-C chemokine receptor type 4 293 ChEMBL 10.1016/j.ejmech.2019.111914 10.7270/Q2Q81HRB 31806538 Zhu, F; Wang, Y; Du, Q; Ge, W; Li, Z; Wang, X; Fu, C; Luo, L; Tian, S; Ma, H; Zheng, J; Zhang, Y; Sun, X; He, S; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50555544 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50555544&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 138501796 461694312 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51373666 CN(Cc1cc(nc(n1)C1CC1)N1CCN(C)CC1)C1CCCc2cccnc12 InChI=1S/C23H32N6/c1-27-11-13-29(14-12-27)21-15-19(25-23(26-21)18-8-9-18)16-28(2)20-7-3-5-17-6-4-10-24-22(17)20/h4,6,10,15,18,20H,3,5,7-9,11-14,16H2,1-2H3 SZIMQJITBSGPDU-UHFFFAOYSA-N 50555545 CHEMBL4757478 C-X-C chemokine receptor type 4 23 ChEMBL 10.1016/j.ejmech.2019.111914 10.7270/Q2Q81HRB 31806538 Zhu, F; Wang, Y; Du, Q; Ge, W; Li, Z; Wang, X; Fu, C; Luo, L; Tian, S; Ma, H; Zheng, J; Zhang, Y; Sun, X; He, S; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50555545 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50555545&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 138501726 461694313 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51373667 CN(Cc1cc(nc(C)n1)N1CCN(C)CC1)C1CCCc2cccnc12 InChI=1S/C21H30N6/c1-16-23-18(14-20(24-16)27-12-10-25(2)11-13-27)15-26(3)19-8-4-6-17-7-5-9-22-21(17)19/h5,7,9,14,19H,4,6,8,10-13,15H2,1-3H3 JBMFUTZFKCPWOQ-UHFFFAOYSA-N 50555546 CHEMBL4778921 C-X-C chemokine receptor type 4 12 ChEMBL 10.1016/j.ejmech.2019.111914 10.7270/Q2Q81HRB 31806538 Zhu, F; Wang, Y; Du, Q; Ge, W; Li, Z; Wang, X; Fu, C; Luo, L; Tian, S; Ma, H; Zheng, J; Zhang, Y; Sun, X; He, S; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50555546 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50555546&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 138491872 461694314 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51373668 CN(Cc1cc(nc(n1)N(C)C)N1CCN(C)CC1)C1CCCc2cccnc12 InChI=1S/C22H33N7/c1-26(2)22-24-18(15-20(25-22)29-13-11-27(3)12-14-29)16-28(4)19-9-5-7-17-8-6-10-23-21(17)19/h6,8,10,15,19H,5,7,9,11-14,16H2,1-4H3 HVTGUJNWEIYMDC-UHFFFAOYSA-N 50555547 CHEMBL4747251 C-X-C chemokine receptor type 4 >10000 ChEMBL 10.1016/j.ejmech.2019.111914 10.7270/Q2Q81HRB 31806538 Zhu, F; Wang, Y; Du, Q; Ge, W; Li, Z; Wang, X; Fu, C; Luo, L; Tian, S; Ma, H; Zheng, J; Zhang, Y; Sun, X; He, S; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50555547 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50555547&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 138501720 461694315 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51373669 CNc1nc(CN(C)C2CCCc3cccnc23)cc(n1)N1CCN(C)CC1 InChI=1S/C21H31N7/c1-22-21-24-17(14-19(25-21)28-12-10-26(2)11-13-28)15-27(3)18-8-4-6-16-7-5-9-23-20(16)18/h5,7,9,14,18H,4,6,8,10-13,15H2,1-3H3,(H,22,24,25) VPTBGXKTPWWLAX-UHFFFAOYSA-N 50555548 CHEMBL4793397 C-X-C chemokine receptor type 4 58 ChEMBL 10.1016/j.ejmech.2019.111914 10.7270/Q2Q81HRB 31806538 Zhu, F; Wang, Y; Du, Q; Ge, W; Li, Z; Wang, X; Fu, C; Luo, L; Tian, S; Ma, H; Zheng, J; Zhang, Y; Sun, X; He, S; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50555548 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50555548&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 138501448 461694316 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51373670 CCOc1nc(CN(C)C2CCCc3cccnc23)cc(n1)N1CCN(C)CC1 InChI=1S/C22H32N6O/c1-4-29-22-24-18(15-20(25-22)28-13-11-26(2)12-14-28)16-27(3)19-9-5-7-17-8-6-10-23-21(17)19/h6,8,10,15,19H,4-5,7,9,11-14,16H2,1-3H3 NANHPBPULVGQNC-UHFFFAOYSA-N 50555549 CHEMBL4797590 C-X-C chemokine receptor type 4 78 ChEMBL 10.1016/j.ejmech.2019.111914 10.7270/Q2Q81HRB 31806538 Zhu, F; Wang, Y; Du, Q; Ge, W; Li, Z; Wang, X; Fu, C; Luo, L; Tian, S; Ma, H; Zheng, J; Zhang, Y; Sun, X; He, S; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50555549 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50555549&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 138501446 461694317 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51373671 CN(Cc1nc(C)nc(N2CCN(C)CC2)c1F)C1CCCc2cccnc12 InChI=1S/C21H29FN6/c1-15-24-17(19(22)21(25-15)28-12-10-26(2)11-13-28)14-27(3)18-8-4-6-16-7-5-9-23-20(16)18/h5,7,9,18H,4,6,8,10-14H2,1-3H3 FIRKAYIKCNCCSB-UHFFFAOYSA-N 50555550 CHEMBL4742656 C-X-C chemokine receptor type 4 12 ChEMBL 10.1016/j.ejmech.2019.111914 10.7270/Q2Q81HRB 31806538 Zhu, F; Wang, Y; Du, Q; Ge, W; Li, Z; Wang, X; Fu, C; Luo, L; Tian, S; Ma, H; Zheng, J; Zhang, Y; Sun, X; He, S; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50555550 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50555550&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 138501803 461694318 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51373672 CN(Cc1cc(nc(n1)N1CCCC1)N1CCN(C)CC1)C1CCCc2cccnc12 InChI=1S/C24H35N7/c1-28-13-15-30(16-14-28)22-17-20(26-24(27-22)31-11-3-4-12-31)18-29(2)21-9-5-7-19-8-6-10-25-23(19)21/h6,8,10,17,21H,3-5,7,9,11-16,18H2,1-2H3 UUZCEWLUTRVTTQ-UHFFFAOYSA-N 50555551 CHEMBL4748971 C-X-C chemokine receptor type 4 >10000 ChEMBL 10.1016/j.ejmech.2019.111914 10.7270/Q2Q81HRB 31806538 Zhu, F; Wang, Y; Du, Q; Ge, W; Li, Z; Wang, X; Fu, C; Luo, L; Tian, S; Ma, H; Zheng, J; Zhang, Y; Sun, X; He, S; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50555551 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50555551&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 138501718 461694319 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51400291 CCOC(=O)c1c(NC(=S)Nc2ccccc2)sc2CCCC(C)c12 InChI=1S/C19H22N2O2S2/c1-3-23-18(22)16-15-12(2)8-7-11-14(15)25-17(16)21-19(24)20-13-9-5-4-6-10-13/h4-6,9-10,12H,3,7-8,11H2,1-2H3,(H2,20,21,24) YBRGMZYLLPQNSO-UHFFFAOYSA-N 50565641 CHEMBL4781097 C-X-C chemokine receptor type 4 >10000 ChEMBL 10.1016/j.ejmech.2020.112387 10.7270/Q25M69GN 32829163 Xue, D; Chen, W; Neamati, N University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565641 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565641&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 3076852 461685979 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51400292 CCOC(=O)c1c(NC(=S)Nc2ccc(F)cc2)sc2CCCC(C)c12 InChI=1S/C19H21FN2O2S2/c1-3-24-18(23)16-15-11(2)5-4-6-14(15)26-17(16)22-19(25)21-13-9-7-12(20)8-10-13/h7-11H,3-6H2,1-2H3,(H2,21,22,25) ZWMOVJILIPZWSQ-UHFFFAOYSA-N 50565642 CHEMBL4793810 C-X-C chemokine receptor type 4 11700 ChEMBL 10.1016/j.ejmech.2020.112387 10.7270/Q25M69GN 32829163 Xue, D; Chen, W; Neamati, N University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565642 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565642&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 162672731 461685980 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51400293 CCOC(=O)c1c(NC(=S)Nc2ccc(OC)cc2)sc2CCCC(C)c12 InChI=1S/C20H24N2O3S2/c1-4-25-19(23)17-16-12(2)6-5-7-15(16)27-18(17)22-20(26)21-13-8-10-14(24-3)11-9-13/h8-12H,4-7H2,1-3H3,(H2,21,22,26) PDYZUDAHLVBFJI-UHFFFAOYSA-N 50565643 CHEMBL4798282 C-X-C chemokine receptor type 4 11500 ChEMBL 10.1016/j.ejmech.2020.112387 10.7270/Q25M69GN 32829163 Xue, D; Chen, W; Neamati, N University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565643 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565643&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 162675312 461685981 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51400294 CCOC(=O)c1c(NC(=S)Nc2ccc(OC(F)(F)F)cc2)sc2CCCC(C)c12 InChI=1S/C20H21F3N2O3S2/c1-3-27-18(26)16-15-11(2)5-4-6-14(15)30-17(16)25-19(29)24-12-7-9-13(10-8-12)28-20(21,22)23/h7-11H,3-6H2,1-2H3,(H2,24,25,29) KXLYMYRPYAWYSK-UHFFFAOYSA-N 50565644 CHEMBL4790233 C-X-C chemokine receptor type 4 12700 ChEMBL 10.1016/j.ejmech.2020.112387 10.7270/Q25M69GN 32829163 Xue, D; Chen, W; Neamati, N University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565644 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565644&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 162669363 461685982 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51400295 CCOC(=O)c1c(NC(=S)Nc2ccc(cc2)N(C)C)sc2CCCC(C)c12 InChI=1S/C21H27N3O2S2/c1-5-26-20(25)18-17-13(2)7-6-8-16(17)28-19(18)23-21(27)22-14-9-11-15(12-10-14)24(3)4/h9-13H,5-8H2,1-4H3,(H2,22,23,27) BCOMNVLIXFHAHF-UHFFFAOYSA-N 50565645 CHEMBL4780042 C-X-C chemokine receptor type 4 >10000 ChEMBL 10.1016/j.ejmech.2020.112387 10.7270/Q25M69GN 32829163 Xue, D; Chen, W; Neamati, N University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565645 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565645&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 162663287 461685983 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51400296 CCOC(=O)c1c(NC(=S)Nc2ccc(cc2)C(C)(C)C)sc2CCCC(C)c12 InChI=1S/C23H30N2O2S2/c1-6-27-21(26)19-18-14(2)8-7-9-17(18)29-20(19)25-22(28)24-16-12-10-15(11-13-16)23(3,4)5/h10-14H,6-9H2,1-5H3,(H2,24,25,28) QQKWECZMRALHGW-UHFFFAOYSA-N 50565646 CHEMBL4795585 C-X-C chemokine receptor type 4 >10000 ChEMBL 10.1016/j.ejmech.2020.112387 10.7270/Q25M69GN 32829163 Xue, D; Chen, W; Neamati, N University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565646 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565646&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 162674364 461685984 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51400297 CCOC(=O)c1c(NC(=S)Nc2ccc3OC(F)(F)Oc3c2)sc2CCCC(C)c12 InChI=1S/C20H20F2N2O4S2/c1-3-26-18(25)16-15-10(2)5-4-6-14(15)30-17(16)24-19(29)23-11-7-8-12-13(9-11)28-20(21,22)27-12/h7-10H,3-6H2,1-2H3,(H2,23,24,29) DCUQMSZESLMYJM-UHFFFAOYSA-N 50565647 CHEMBL4787966 C-X-C chemokine receptor type 4 26700 ChEMBL 10.1016/j.ejmech.2020.112387 10.7270/Q25M69GN 32829163 Xue, D; Chen, W; Neamati, N University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565647 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565647&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 162669638 461685985 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51400298 CCOC(=O)c1c(NC(=S)Nc2ccc(OC)c(OC)c2)sc2CCCC(C)c12 InChI=1S/C21H26N2O4S2/c1-5-27-20(24)18-17-12(2)7-6-8-16(17)29-19(18)23-21(28)22-13-9-10-14(25-3)15(11-13)26-4/h9-12H,5-8H2,1-4H3,(H2,22,23,28) CGBSCEYRGGKKMU-UHFFFAOYSA-N 50565648 CHEMBL4779885 C-X-C chemokine receptor type 4 >10000 ChEMBL 10.1016/j.ejmech.2020.112387 10.7270/Q25M69GN 32829163 Xue, D; Chen, W; Neamati, N University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565648 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565648&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 162662835 461685986 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51400299 CCOC(=O)c1c(NC(=S)Nc2ccc(cc2)C(F)(F)F)sc2CCCC(C)c12 InChI=1S/C20H21F3N2O2S2/c1-3-27-18(26)16-15-11(2)5-4-6-14(15)29-17(16)25-19(28)24-13-9-7-12(8-10-13)20(21,22)23/h7-11H,3-6H2,1-2H3,(H2,24,25,28) CUDHVIQDQRIHEW-UHFFFAOYSA-N 50565649 CHEMBL4791845 C-X-C chemokine receptor type 4 14600 ChEMBL 10.1016/j.ejmech.2020.112387 10.7270/Q25M69GN 32829163 Xue, D; Chen, W; Neamati, N University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565649 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565649&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 162671201 461685987 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51400300 CCOC(=O)c1c(NC(=S)Nc2ccc(N)cc2)sc2CCCC(C)c12 InChI=1S/C19H23N3O2S2/c1-3-24-18(23)16-15-11(2)5-4-6-14(15)26-17(16)22-19(25)21-13-9-7-12(20)8-10-13/h7-11H,3-6,20H2,1-2H3,(H2,21,22,25) IZZFHYWMIIKVHZ-UHFFFAOYSA-N 50565650 CHEMBL4792945 C-X-C chemokine receptor type 4 >10000 ChEMBL 10.1016/j.ejmech.2020.112387 10.7270/Q25M69GN 32829163 Xue, D; Chen, W; Neamati, N University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565650 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565650&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 162671365 461685988 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51400301 CCOC(=O)c1c(NC(=S)Nc2ccc(O)cc2)sc2CCCC(C)c12 InChI=1S/C19H22N2O3S2/c1-3-24-18(23)16-15-11(2)5-4-6-14(15)26-17(16)21-19(25)20-12-7-9-13(22)10-8-12/h7-11,22H,3-6H2,1-2H3,(H2,20,21,25) LKGRZOMUWRNVEY-UHFFFAOYSA-N 50565651 CHEMBL4777007 C-X-C chemokine receptor type 4 11700 ChEMBL 10.1016/j.ejmech.2020.112387 10.7270/Q25M69GN 32829163 Xue, D; Chen, W; Neamati, N University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565651 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565651&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 162642884 461685989 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51400302 CCOC(=O)c1c(NC(=S)Nc2ccccc2O)sc2CCCC(C)c12 InChI=1S/C19H22N2O3S2/c1-3-24-18(23)16-15-11(2)7-6-10-14(15)26-17(16)21-19(25)20-12-8-4-5-9-13(12)22/h4-5,8-9,11,22H,3,6-7,10H2,1-2H3,(H2,20,21,25) RBYLDAFUBFTKOL-UHFFFAOYSA-N 50565652 CHEMBL4787028 C-X-C chemokine receptor type 4 >10000 ChEMBL 10.1016/j.ejmech.2020.112387 10.7270/Q25M69GN 32829163 Xue, D; Chen, W; Neamati, N University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565652 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565652&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 162667041 461685990 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51400303 CCOC(=O)c1c(NC(=S)Nc2ccccc2F)sc2CCCC(C)c12 InChI=1S/C19H21FN2O2S2/c1-3-24-18(23)16-15-11(2)7-6-10-14(15)26-17(16)22-19(25)21-13-9-5-4-8-12(13)20/h4-5,8-9,11H,3,6-7,10H2,1-2H3,(H2,21,22,25) FYBYLAJANBTHAC-UHFFFAOYSA-N 50565653 CHEMBL4782034 C-X-C chemokine receptor type 4 12000 ChEMBL 10.1016/j.ejmech.2020.112387 10.7270/Q25M69GN 32829163 Xue, D; Chen, W; Neamati, N University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565653 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565653&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 162664334 461685991 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51400304 CCOC(=O)c1c(NC(=S)Nc2cccc(OC)c2)sc2CCCC(C)c12 InChI=1S/C20H24N2O3S2/c1-4-25-19(23)17-16-12(2)7-5-10-15(16)27-18(17)22-20(26)21-13-8-6-9-14(11-13)24-3/h6,8-9,11-12H,4-5,7,10H2,1-3H3,(H2,21,22,26) CAJLJVVOBCOMEU-UHFFFAOYSA-N 50565654 CHEMBL4793669 C-X-C chemokine receptor type 4 8900 ChEMBL 10.1016/j.ejmech.2020.112387 10.7270/Q25M69GN 32829163 Xue, D; Chen, W; Neamati, N University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565654 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565654&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 162672979 461685992 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51400305 CCOC(=O)c1c(NC(=S)NCc2ccccc2)sc2CCCC(C)c12 InChI=1S/C20H24N2O2S2/c1-3-24-19(23)17-16-13(2)8-7-11-15(16)26-18(17)22-20(25)21-12-14-9-5-4-6-10-14/h4-6,9-10,13H,3,7-8,11-12H2,1-2H3,(H2,21,22,25) MSJYDQRTTDXYBM-UHFFFAOYSA-N 50565655 CHEMBL4780140 C-X-C chemokine receptor type 4 >20000 ChEMBL 10.1016/j.ejmech.2020.112387 10.7270/Q25M69GN 32829163 Xue, D; Chen, W; Neamati, N University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565655 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565655&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 162663300 461685993 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51400306 CCOC(=O)c1c(NC(=S)Nc2cnccn2)sc2CCCC(C)c12 InChI=1S/C17H20N4O2S2/c1-3-23-16(22)14-13-10(2)5-4-6-11(13)25-15(14)21-17(24)20-12-9-18-7-8-19-12/h7-10H,3-6H2,1-2H3,(H2,19,20,21,24) LIUFLHFLOUOUDG-UHFFFAOYSA-N 50565656 CHEMBL4799102 C-X-C chemokine receptor type 4 >10000 ChEMBL 10.1016/j.ejmech.2020.112387 10.7270/Q25M69GN 32829163 Xue, D; Chen, W; Neamati, N University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565656 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565656&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 162674532 461685994 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51400307 CCOC(=O)c1c(NC(=S)NC(=O)c2ccccc2)sc2CCCC(C)c12 InChI=1S/C20H22N2O3S2/c1-3-25-19(24)16-15-12(2)8-7-11-14(15)27-18(16)22-20(26)21-17(23)13-9-5-4-6-10-13/h4-6,9-10,12H,3,7-8,11H2,1-2H3,(H2,21,22,23,26) FGIMIJPJPWNRJQ-UHFFFAOYSA-N 50565657 CHEMBL4780039 C-X-C chemokine receptor type 4 >10000 ChEMBL 10.1016/j.ejmech.2020.112387 10.7270/Q25M69GN 32829163 Xue, D; Chen, W; Neamati, N University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565657 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565657&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 162663285 461685995 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51400308 CCOC(=O)NC(=S)Nc1sc2CCCC(C)c2c1C(=O)OCC InChI=1S/C16H22N2O4S2/c1-4-21-14(19)12-11-9(3)7-6-8-10(11)24-13(12)17-15(23)18-16(20)22-5-2/h9H,4-8H2,1-3H3,(H2,17,18,20,23) VKQXVXSNVUAIDO-UHFFFAOYSA-N 50565658 CHEMBL4798148 C-X-C chemokine receptor type 4 >10000 ChEMBL 10.1016/j.ejmech.2020.112387 10.7270/Q25M69GN 32829163 Xue, D; Chen, W; Neamati, N University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565658 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565658&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 162676130 461685996 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51400309 CC1CCCc2sc(NC(=S)Nc3ccccc3)c(C(O)=O)c12 InChI=1S/C17H18N2O2S2/c1-10-6-5-9-12-13(10)14(16(20)21)15(23-12)19-17(22)18-11-7-3-2-4-8-11/h2-4,7-8,10H,5-6,9H2,1H3,(H,20,21)(H2,18,19,22) NTFPGWYEOQIDHA-UHFFFAOYSA-N 50565659 CHEMBL4778886 C-X-C chemokine receptor type 4 >10000 ChEMBL 10.1016/j.ejmech.2020.112387 10.7270/Q25M69GN 32829163 Xue, D; Chen, W; Neamati, N University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565659 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565659&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 162661251 461685997 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51400310 CC(C)OC(=O)c1c(NC(=S)Nc2ccccc2)sc2CCCC(C)c12 InChI=1S/C20H24N2O2S2/c1-12(2)24-19(23)17-16-13(3)8-7-11-15(16)26-18(17)22-20(25)21-14-9-5-4-6-10-14/h4-6,9-10,12-13H,7-8,11H2,1-3H3,(H2,21,22,25) KULWOOOACKNVEX-UHFFFAOYSA-N 50565660 CHEMBL4787532 C-X-C chemokine receptor type 4 9300 ChEMBL 10.1016/j.ejmech.2020.112387 10.7270/Q25M69GN 32829163 Xue, D; Chen, W; Neamati, N University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565660 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565660&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 162668274 461685998 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51400311 CC1CCCc2sc(NC(=S)Nc3ccccc3)c(C(=O)OC(C)(C)C)c12 InChI=1S/C21H26N2O2S2/c1-13-9-8-12-15-16(13)17(19(24)25-21(2,3)4)18(27-15)23-20(26)22-14-10-6-5-7-11-14/h5-7,10-11,13H,8-9,12H2,1-4H3,(H2,22,23,26) YYNUGNSCTIYHTH-UHFFFAOYSA-N 50565661 CHEMBL4786878 C-X-C chemokine receptor type 4 11900 ChEMBL 10.1016/j.ejmech.2020.112387 10.7270/Q25M69GN 32829163 Xue, D; Chen, W; Neamati, N University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565661 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565661&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 162667135 461685999 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51400312 CC1CCCc2sc(NC(=S)Nc3ccccc3)c(C(N)=O)c12 InChI=1S/C17H19N3OS2/c1-10-6-5-9-12-13(10)14(15(18)21)16(23-12)20-17(22)19-11-7-3-2-4-8-11/h2-4,7-8,10H,5-6,9H2,1H3,(H2,18,21)(H2,19,20,22) XEWOCORPFIZSQN-UHFFFAOYSA-N 50565662 CHEMBL4777482 C-X-C chemokine receptor type 4 >10000 ChEMBL 10.1016/j.ejmech.2020.112387 10.7270/Q25M69GN 32829163 Xue, D; Chen, W; Neamati, N University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565662 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565662&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 162643484 461686000 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51400313 CNC(=O)c1c(NC(=S)Nc2ccccc2)sc2CCCC(C)c12 InChI=1S/C18H21N3OS2/c1-11-7-6-10-13-14(11)15(16(22)19-2)17(24-13)21-18(23)20-12-8-4-3-5-9-12/h3-5,8-9,11H,6-7,10H2,1-2H3,(H,19,22)(H2,20,21,23) ZDGOATQEDQKXLA-UHFFFAOYSA-N 50565663 CHEMBL4787491 C-X-C chemokine receptor type 4 >10000 ChEMBL 10.1016/j.ejmech.2020.112387 10.7270/Q25M69GN 32829163 Xue, D; Chen, W; Neamati, N University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565663 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565663&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 162667851 461686001 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51400314 CC1CCCc2sc(NC(=S)Nc3ccccc3)c(C(=O)Nc3ccccc3)c12 InChI=1S/C23H23N3OS2/c1-15-9-8-14-18-19(15)20(21(27)24-16-10-4-2-5-11-16)22(29-18)26-23(28)25-17-12-6-3-7-13-17/h2-7,10-13,15H,8-9,14H2,1H3,(H,24,27)(H2,25,26,28) BMRLDAPYBAMTHT-UHFFFAOYSA-N 50565664 CHEMBL4782078 C-X-C chemokine receptor type 4 >10000 ChEMBL 10.1016/j.ejmech.2020.112387 10.7270/Q25M69GN 32829163 Xue, D; Chen, W; Neamati, N University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565664 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565664&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 162665011 461686002 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51400315 CC1CCCc2sc(NC(=S)Nc3ccccc3)c(C(=O)NCc3ccccc3)c12 InChI=1S/C24H25N3OS2/c1-16-9-8-14-19-20(16)21(22(28)25-15-17-10-4-2-5-11-17)23(30-19)27-24(29)26-18-12-6-3-7-13-18/h2-7,10-13,16H,8-9,14-15H2,1H3,(H,25,28)(H2,26,27,29) ISQBWFAPCGWHMB-UHFFFAOYSA-N 50565665 CHEMBL4794114 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1016/j.ejmech.2020.112387 10.7270/Q25M69GN 32829163 Xue, D; Chen, W; Neamati, N University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565665 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565665&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 162673547 461686003 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51400316 CC(C)(C)OC(=O)c1c(NC(=S)Nc2ccccc2)sc2CCCCc12 InChI=1S/C20H24N2O2S2/c1-20(2,3)24-18(23)16-14-11-7-8-12-15(14)26-17(16)22-19(25)21-13-9-5-4-6-10-13/h4-6,9-10H,7-8,11-12H2,1-3H3,(H2,21,22,25) YORRHQVVRUIWKP-UHFFFAOYSA-N 50565666 CHEMBL4777868 C-X-C chemokine receptor type 4 >10000 ChEMBL 10.1016/j.ejmech.2020.112387 10.7270/Q25M69GN 32829163 Xue, D; Chen, W; Neamati, N University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565666 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565666&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 162644160 461686004 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51400317 CC1COCc2sc(NC(=S)Nc3ccccc3)c(C(=O)OC(C)(C)C)c12 InChI=1S/C20H24N2O3S2/c1-12-10-24-11-14-15(12)16(18(23)25-20(2,3)4)17(27-14)22-19(26)21-13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3,(H2,21,22,26) CRHRLCOJLBNAFG-UHFFFAOYSA-N 50565667 CHEMBL4795943 C-X-C chemokine receptor type 4 >15000 ChEMBL 10.1016/j.ejmech.2020.112387 10.7270/Q25M69GN 32829163 Xue, D; Chen, W; Neamati, N University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565667 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565667&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 162673706 461686005 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51400318 CC(C)(C)OC(=O)c1c(NC(=S)Nc2ccccc2)sc2COCCc12 InChI=1S/C19H22N2O3S2/c1-19(2,3)24-17(22)15-13-9-10-23-11-14(13)26-16(15)21-18(25)20-12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3,(H2,20,21,25) UBTQEBPQXRPBHS-UHFFFAOYSA-N 50565668 CHEMBL4788391 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1016/j.ejmech.2020.112387 10.7270/Q25M69GN 32829163 Xue, D; Chen, W; Neamati, N University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565668 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565668&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 162670127 461686006 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51400319 CC(C)(C)OC(=O)c1c(NC(=S)Nc2ccccc2)sc2OCCCc12 InChI=1S/C19H22N2O3S2/c1-19(2,3)24-16(22)14-13-10-7-11-23-17(13)26-15(14)21-18(25)20-12-8-5-4-6-9-12/h4-6,8-9H,7,10-11H2,1-3H3,(H2,20,21,25) BQBJBDVNSVUPFX-UHFFFAOYSA-N 50565669 CHEMBL4792599 C-X-C chemokine receptor type 4 >10000 ChEMBL 10.1016/j.ejmech.2020.112387 10.7270/Q25M69GN 32829163 Xue, D; Chen, W; Neamati, N University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565669 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565669&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 162671722 461686007 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51400320 CC(C)(C)OC(=O)c1c(NC(=S)Nc2ccccc2)sc2CC(C)(C)OCc12 InChI=1S/C21H26N2O3S2/c1-20(2,3)26-18(24)16-14-12-25-21(4,5)11-15(14)28-17(16)23-19(27)22-13-9-7-6-8-10-13/h6-10H,11-12H2,1-5H3,(H2,22,23,27) ITEKWXIXZAPHLA-UHFFFAOYSA-N 50565670 CHEMBL4796058 C-X-C chemokine receptor type 4 >10000 ChEMBL 10.1016/j.ejmech.2020.112387 10.7270/Q25M69GN 32829163 Xue, D; Chen, W; Neamati, N University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565670 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565670&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 162673719 461686008 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51400321 CC(C)(C)OC(=O)c1c(NC(=S)Nc2ccccc2)sc2CNCCc12 InChI=1S/C19H23N3O2S2/c1-19(2,3)24-17(23)15-13-9-10-20-11-14(13)26-16(15)22-18(25)21-12-7-5-4-6-8-12/h4-8,20H,9-11H2,1-3H3,(H2,21,22,25) JJCKNZYSJCVUFI-UHFFFAOYSA-N 50565671 CHEMBL4796430 C-X-C chemokine receptor type 4 >10000 ChEMBL 10.1016/j.ejmech.2020.112387 10.7270/Q25M69GN 32829163 Xue, D; Chen, W; Neamati, N University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565671 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565671&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 162674666 461686009 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51400322 CN1CCc2c(C1)sc(NC(=S)Nc1ccccc1)c2C(=O)OC(C)(C)C InChI=1S/C20H25N3O2S2/c1-20(2,3)25-18(24)16-14-10-11-23(4)12-15(14)27-17(16)22-19(26)21-13-8-6-5-7-9-13/h5-9H,10-12H2,1-4H3,(H2,21,22,26) ZOVHNNACAPROLA-UHFFFAOYSA-N 50565672 CHEMBL4794006 C-X-C chemokine receptor type 4 >10000 ChEMBL 10.1016/j.ejmech.2020.112387 10.7270/Q25M69GN 32829163 Xue, D; Chen, W; Neamati, N University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565672 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565672&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 162672616 461686010 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51400323 CC(C)(C)OC(=O)c1c(NC(=S)Nc2ccccc2)sc2CN(Cc3ccccc3)CCc12 InChI=1S/C26H29N3O2S2/c1-26(2,3)31-24(30)22-20-14-15-29(16-18-10-6-4-7-11-18)17-21(20)33-23(22)28-25(32)27-19-12-8-5-9-13-19/h4-13H,14-17H2,1-3H3,(H2,27,28,32) PWPGCZPXAMTFIR-UHFFFAOYSA-N 50565673 CHEMBL4788927 C-X-C chemokine receptor type 4 >10000 ChEMBL 10.1016/j.ejmech.2020.112387 10.7270/Q25M69GN 32829163 Xue, D; Chen, W; Neamati, N University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565673 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565673&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 11598157 461686011 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51400324 COc1cccc(NC(=S)Nc2sc3CCCC(C)c3c2C(=O)OC(C)(C)C)c1 InChI=1S/C22H28N2O3S2/c1-13-8-6-11-16-17(13)18(20(25)27-22(2,3)4)19(29-16)24-21(28)23-14-9-7-10-15(12-14)26-5/h7,9-10,12-13H,6,8,11H2,1-5H3,(H2,23,24,28) AUTFNZHPPVDHIE-UHFFFAOYSA-N 50565674 CHEMBL4782371 C-X-C chemokine receptor type 4 >10000 ChEMBL 10.1016/j.ejmech.2020.112387 10.7270/Q25M69GN 32829163 Xue, D; Chen, W; Neamati, N University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565674 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565674&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 162665122 461686012 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51400325 CC1CCCc2sc(NC(=S)Nc3ccc(OC(F)(F)F)cc3)c(C(=O)OC(C)(C)C)c12 InChI=1S/C22H25F3N2O3S2/c1-12-6-5-7-15-16(12)17(19(28)30-21(2,3)4)18(32-15)27-20(31)26-13-8-10-14(11-9-13)29-22(23,24)25/h8-12H,5-7H2,1-4H3,(H2,26,27,31) VZQKZXGICDXWRL-UHFFFAOYSA-N 50565675 CHEMBL4800160 C-X-C chemokine receptor type 4 >10000 ChEMBL 10.1016/j.ejmech.2020.112387 10.7270/Q25M69GN 32829163 Xue, D; Chen, W; Neamati, N University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565675 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565675&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 162676579 461686013 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51400326 CC1CCCc2sc(NC(=S)Nc3ccc(OC(C)(C)C)cc3)c(C(=O)OC(C)(C)C)c12 InChI=1S/C25H34N2O3S2/c1-15-9-8-10-18-19(15)20(22(28)30-25(5,6)7)21(32-18)27-23(31)26-16-11-13-17(14-12-16)29-24(2,3)4/h11-15H,8-10H2,1-7H3,(H2,26,27,31) UOJXFNVETGGXPW-UHFFFAOYSA-N 50565676 CHEMBL4788608 C-X-C chemokine receptor type 4 >10000 ChEMBL 10.1016/j.ejmech.2020.112387 10.7270/Q25M69GN 32829163 Xue, D; Chen, W; Neamati, N University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565676 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565676&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 162669138 461686014 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51400327 CC1CCCc2sc(NC(=S)Nc3ccc(Oc4ccccc4)cc3)c(C(=O)OC(C)(C)C)c12 InChI=1S/C27H30N2O3S2/c1-17-9-8-12-21-22(17)23(25(30)32-27(2,3)4)24(34-21)29-26(33)28-18-13-15-20(16-14-18)31-19-10-6-5-7-11-19/h5-7,10-11,13-17H,8-9,12H2,1-4H3,(H2,28,29,33) GZVHHKNMMJBWRY-UHFFFAOYSA-N 50565677 CHEMBL4800238 C-X-C chemokine receptor type 4 >10000 ChEMBL 10.1016/j.ejmech.2020.112387 10.7270/Q25M69GN 32829163 Xue, D; Chen, W; Neamati, N University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565677 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565677&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 162677057 461686015 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51400328 CC1CCCc2sc(NC(=S)Nc3ccc(cc3)N3CCN(C)CC3)c(C(=O)OC(C)(C)C)c12 InChI=1S/C26H36N4O2S2/c1-17-7-6-8-20-21(17)22(24(31)32-26(2,3)4)23(34-20)28-25(33)27-18-9-11-19(12-10-18)30-15-13-29(5)14-16-30/h9-12,17H,6-8,13-16H2,1-5H3,(H2,27,28,33) GMOKSFVJZZUMGI-UHFFFAOYSA-N 50565678 CHEMBL4786254 C-X-C chemokine receptor type 4 >10000 ChEMBL 10.1016/j.ejmech.2020.112387 10.7270/Q25M69GN 32829163 Xue, D; Chen, W; Neamati, N University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565678 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565678&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 162668112 461686016 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51400329 COc1ccc(NC(=S)Nc2sc3CCCC(C)c3c2C(=O)OC(C)(C)C)cc1OC InChI=1S/C23H30N2O4S2/c1-13-8-7-9-17-18(13)19(21(26)29-23(2,3)4)20(31-17)25-22(30)24-14-10-11-15(27-5)16(12-14)28-6/h10-13H,7-9H2,1-6H3,(H2,24,25,30) GMPOQIKLVNCGSO-UHFFFAOYSA-N 50565679 CHEMBL4779981 C-X-C chemokine receptor type 4 >10000 ChEMBL 10.1016/j.ejmech.2020.112387 10.7270/Q25M69GN 32829163 Xue, D; Chen, W; Neamati, N University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565679 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565679&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 162662426 461686017 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51400330 CC1CCCc2sc(NC(=S)Nc3ccc4OC(F)(F)Oc4c3)c(C(=O)OC(C)(C)C)c12 InChI=1S/C22H24F2N2O4S2/c1-11-6-5-7-15-16(11)17(19(27)30-21(2,3)4)18(32-15)26-20(31)25-12-8-9-13-14(10-12)29-22(23,24)28-13/h8-11H,5-7H2,1-4H3,(H2,25,26,31) DPXMSSWXPCPMTC-UHFFFAOYSA-N 50565680 CHEMBL4781241 C-X-C chemokine receptor type 4 >10000 ChEMBL 10.1016/j.ejmech.2020.112387 10.7270/Q25M69GN 32829163 Xue, D; Chen, W; Neamati, N University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565680 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565680&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 162662642 461686018 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51400331 Fc1ccc(NC(=S)Nc2sc3COCCc3c2C(=O)Nc2ccccc2)cc1 InChI=1S/C21H18FN3O2S2/c22-13-6-8-15(9-7-13)24-21(28)25-20-18(16-10-11-27-12-17(16)29-20)19(26)23-14-4-2-1-3-5-14/h1-9H,10-12H2,(H,23,26)(H2,24,25,28) NWQSLHBVUCLNLF-UHFFFAOYSA-N 50565681 CHEMBL4785912 C-X-C chemokine receptor type 4 >10000 ChEMBL 10.1016/j.ejmech.2020.112387 10.7270/Q25M69GN 32829163 Xue, D; Chen, W; Neamati, N University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565681 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565681&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 162666936 461686019 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51400332 CC(C)(C)OC(=O)c1c(NC(=S)Nc2ccc(F)cc2)sc2COCCc12 InChI=1S/C19H21FN2O3S2/c1-19(2,3)25-17(23)15-13-8-9-24-10-14(13)27-16(15)22-18(26)21-12-6-4-11(20)5-7-12/h4-7H,8-10H2,1-3H3,(H2,21,22,26) DPCKEJPJUUXLFD-UHFFFAOYSA-N 50565682 CHEMBL4776480 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1016/j.ejmech.2020.112387 10.7270/Q25M69GN 32829163 Xue, D; Chen, W; Neamati, N University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565682 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565682&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 162643191 461686020 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51400333 CC(C)(C)OC(=O)c1c(NC(=S)Nc2ccc(OC(F)(F)F)cc2)sc2COCCc12 InChI=1S/C20H21F3N2O4S2/c1-19(2,3)29-17(26)15-13-8-9-27-10-14(13)31-16(15)25-18(30)24-11-4-6-12(7-5-11)28-20(21,22)23/h4-7H,8-10H2,1-3H3,(H2,24,25,30) QIUWAVVPEDEKEZ-UHFFFAOYSA-N 50565683 CHEMBL4798569 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1016/j.ejmech.2020.112387 10.7270/Q25M69GN 32829163 Xue, D; Chen, W; Neamati, N University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565683 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565683&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 162674635 461686021 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51400334 COc1ccc(NC(=S)Nc2sc3COCCc3c2C(=O)OC(C)(C)C)cc1OC InChI=1S/C21H26N2O5S2/c1-21(2,3)28-19(24)17-13-8-9-27-11-16(13)30-18(17)23-20(29)22-12-6-7-14(25-4)15(10-12)26-5/h6-7,10H,8-9,11H2,1-5H3,(H2,22,23,29) GKGOLDXTSDTDQO-UHFFFAOYSA-N 50565684 CHEMBL4784641 C-X-C chemokine receptor type 4 >10000 ChEMBL 10.1016/j.ejmech.2020.112387 10.7270/Q25M69GN 32829163 Xue, D; Chen, W; Neamati, N University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565684 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565684&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 162665571 461686022 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51400335 C[C@H](NC(=S)Nc1sc2COCCc2c1C(=O)OC(C)(C)C)c1ccccc1 InChI=1S/C21H26N2O3S2/c1-13(14-8-6-5-7-9-14)22-20(27)23-18-17(19(24)26-21(2,3)4)15-10-11-25-12-16(15)28-18/h5-9,13H,10-12H2,1-4H3,(H2,22,23,27)/t13-/m0/s1 SAZZQHLXFBHGAI-ZDUSSCGKSA-N 50565685 CHEMBL4794294 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1016/j.ejmech.2020.112387 10.7270/Q25M69GN 32829163 Xue, D; Chen, W; Neamati, N University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565685 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565685&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 162673032 461686023 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51400336 C[C@@H](NC(=S)Nc1sc2COCCc2c1C(=O)OC(C)(C)C)c1ccccc1 InChI=1S/C21H26N2O3S2/c1-13(14-8-6-5-7-9-14)22-20(27)23-18-17(19(24)26-21(2,3)4)15-10-11-25-12-16(15)28-18/h5-9,13H,10-12H2,1-4H3,(H2,22,23,27)/t13-/m1/s1 SAZZQHLXFBHGAI-CYBMUJFWSA-N 50565686 CHEMBL4787874 C-X-C chemokine receptor type 4 >30000 ChEMBL 10.1016/j.ejmech.2020.112387 10.7270/Q25M69GN 32829163 Xue, D; Chen, W; Neamati, N University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565686 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565686&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 162668484 461686024 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51400028 CN1CCN(CC1)c1cc(CN2CCCCC2c2ccccn2)nc(C)n1 InChI=1S/C21H30N6/c1-17-23-18(15-21(24-17)26-13-11-25(2)12-14-26)16-27-10-6-4-8-20(27)19-7-3-5-9-22-19/h3,5,7,9,15,20H,4,6,8,10-14,16H2,1-2H3 VRQXLHIGYQNRMJ-UHFFFAOYSA-N 50565495 CHEMBL4777987 C-X-C chemokine receptor type 4 620 ChEMBL 10.1016/j.ejmech.2020.112537 10.7270/Q26M3BKK 32768738 Li, Z; Wang, X; Lin, Y; Wang, Y; Wu, S; Xia, K; Xu, C; Ma, H; Zheng, J; Luo, L; Zhu, F; He, S; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565495 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565495&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 138501606 461685833 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51400029 C(N1CCCNCCNCCCNCC1)c1ccc(CN2CCCNCCNCCCNCC2)cc1 InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2 YIQPUIGJQJDJOS-UHFFFAOYSA-N 50035696 1,1''-{1,4-phenylenebis(methylene)}-bis{1,4,8,11-tetraaza-cyclotetradecane}::1,4,8,11-tetraazacyclotetradecanyl[4-(1,4,8,11-tetraazacyclotetradecanylmethyl)phenyl]methane::1,4,8,11-tetraazacyclotetradecanyl[4-(1,4,8,11-tetraazacyclotetradecanylmethyl)phenyl]methane(8HBr.2H2O)::1,4-bis((1,4,8,11-tetraazacyclotetradecan-1-yl)methyl)benzene::11''-xylyl bis-1,4,8,11-tetraazacyclotetradecane::11-{4-[4,8, 11-1,4,8,11tetraaza-cyclotetradec-1-ylmethyl]-benzyl}-1,4,8,11tetraaza-cyclotetradecane-1,4,8-tricarboxylic acid tri-tert-butyl ester::AMD-3100::CHEMBL18442::CHEMBL2311089::PLERIXAFOR::PLERIXAFOR OCTAHYDROCHLORIDE::US9205085, MSX-162 C-X-C chemokine receptor type 4 561 ChEMBL 10.1016/j.ejmech.2020.112537 10.7270/Q26M3BKK 32768738 Li, Z; Wang, X; Lin, Y; Wang, Y; Wu, S; Xia, K; Xu, C; Ma, H; Zheng, J; Luo, L; Zhu, F; He, S; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50035696 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50035696&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 65015 103943663 CHEMBL2311089CHEMBL18442 DB06809 844 ZINC22443609 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51400030 CN1CCN(CC1)c1cc(CN2CCC[C@H]2c2cccc(C)n2)nc(C)n1 InChI=1S/C21H30N6/c1-16-6-4-7-19(22-16)20-8-5-9-27(20)15-18-14-21(24-17(2)23-18)26-12-10-25(3)11-13-26/h4,6-7,14,20H,5,8-13,15H2,1-3H3/t20-/m0/s1 GONLYWUKBGDAJC-FQEVSTJZSA-N 50565496 CHEMBL4795219 C-X-C chemokine receptor type 4 2391 ChEMBL 10.1016/j.ejmech.2020.112537 10.7270/Q26M3BKK 32768738 Li, Z; Wang, X; Lin, Y; Wang, Y; Wu, S; Xia, K; Xu, C; Ma, H; Zheng, J; Luo, L; Zhu, F; He, S; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565496 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565496&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 138501435 461685834 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51400031 CN1CCN(CC1)c1cc(CN2CCC[C@H]2c2ccc(C)cn2)nc(C)n1 InChI=1S/C21H30N6/c1-16-6-7-19(22-14-16)20-5-4-8-27(20)15-18-13-21(24-17(2)23-18)26-11-9-25(3)10-12-26/h6-7,13-14,20H,4-5,8-12,15H2,1-3H3/t20-/m0/s1 YSIJBVOXDOUPSR-FQEVSTJZSA-N 50565497 CHEMBL4795444 C-X-C chemokine receptor type 4 278 ChEMBL 10.1016/j.ejmech.2020.112537 10.7270/Q26M3BKK 32768738 Li, Z; Wang, X; Lin, Y; Wang, Y; Wu, S; Xia, K; Xu, C; Ma, H; Zheng, J; Luo, L; Zhu, F; He, S; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565497 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565497&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 138501437 461685835 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51400032 CN1CCN(CC1)c1cc(CN2CCC[C@H]2c2cc(C)ccn2)nc(C)n1 InChI=1S/C21H30N6/c1-16-6-7-22-19(13-16)20-5-4-8-27(20)15-18-14-21(24-17(2)23-18)26-11-9-25(3)10-12-26/h6-7,13-14,20H,4-5,8-12,15H2,1-3H3/t20-/m0/s1 ILADYLLUFJNZRV-FQEVSTJZSA-N 50565498 CHEMBL4794732 C-X-C chemokine receptor type 4 216 ChEMBL 10.1016/j.ejmech.2020.112537 10.7270/Q26M3BKK 32768738 Li, Z; Wang, X; Lin, Y; Wang, Y; Wu, S; Xia, K; Xu, C; Ma, H; Zheng, J; Luo, L; Zhu, F; He, S; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565498 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565498&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 138501433 461685836 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51400033 CN1CCN(CC1)c1cc(CN2CCC[C@H]2c2ncccc2C)nc(C)n1 InChI=1S/C21H30N6/c1-16-6-4-8-22-21(16)19-7-5-9-27(19)15-18-14-20(24-17(2)23-18)26-12-10-25(3)11-13-26/h4,6,8,14,19H,5,7,9-13,15H2,1-3H3/t19-/m0/s1 SJRFKTBEMQHUCF-IBGZPJMESA-N 50565499 CHEMBL4799439 C-X-C chemokine receptor type 4 79 ChEMBL 10.1016/j.ejmech.2020.112537 10.7270/Q26M3BKK 32768738 Li, Z; Wang, X; Lin, Y; Wang, Y; Wu, S; Xia, K; Xu, C; Ma, H; Zheng, J; Luo, L; Zhu, F; He, S; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565499 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565499&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 138501464 461685837 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51400034 CN1CCN(CC1)c1cc(CN2CCC[C@@H]2c2ccccn2)nc(C)n1 InChI=1S/C20H28N6/c1-16-22-17(14-20(23-16)25-12-10-24(2)11-13-25)15-26-9-5-7-19(26)18-6-3-4-8-21-18/h3-4,6,8,14,19H,5,7,9-13,15H2,1-2H3/t19-/m1/s1 WMAIZIZUSVPLPP-LJQANCHMSA-N 50565500 CHEMBL4797343 C-X-C chemokine receptor type 4 >10000 ChEMBL 10.1016/j.ejmech.2020.112537 10.7270/Q26M3BKK 32768738 Li, Z; Wang, X; Lin, Y; Wang, Y; Wu, S; Xia, K; Xu, C; Ma, H; Zheng, J; Luo, L; Zhu, F; He, S; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565500 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565500&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 138501463 461685838 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51400035 CN1CCN(CC1)c1cc(CN2CCC[C@H]2c2ccccn2)nc(C)n1 InChI=1S/C20H28N6/c1-16-22-17(14-20(23-16)25-12-10-24(2)11-13-25)15-26-9-5-7-19(26)18-6-3-4-8-21-18/h3-4,6,8,14,19H,5,7,9-13,15H2,1-2H3/t19-/m0/s1 WMAIZIZUSVPLPP-IBGZPJMESA-N 50565501 CHEMBL4783831 C-X-C chemokine receptor type 4 220 ChEMBL 10.1016/j.ejmech.2020.112537 10.7270/Q26M3BKK 32768738 Li, Z; Wang, X; Lin, Y; Wang, Y; Wu, S; Xia, K; Xu, C; Ma, H; Zheng, J; Luo, L; Zhu, F; He, S; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565501 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565501&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 138501462 461685839 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51400036 CC1CCN(Cc2cc(nc(C)n2)N2CCN(C)CC2)C1c1ccccn1 InChI=1S/C21H30N6/c1-16-7-9-27(21(16)19-6-4-5-8-22-19)15-18-14-20(24-17(2)23-18)26-12-10-25(3)11-13-26/h4-6,8,14,16,21H,7,9-13,15H2,1-3H3 ROEOAVPEGYPWNM-UHFFFAOYSA-N 50565502 CHEMBL4783241 C-X-C chemokine receptor type 4 1546 ChEMBL 10.1016/j.ejmech.2020.112537 10.7270/Q26M3BKK 32768738 Li, Z; Wang, X; Lin, Y; Wang, Y; Wu, S; Xia, K; Xu, C; Ma, H; Zheng, J; Luo, L; Zhu, F; He, S; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565502 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565502&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 138501425 461685840 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51400037 CN1CCN(CC1)c1cc(CN2CCCC2c2ccccn2)nc(C)n1 InChI=1S/C20H28N6/c1-16-22-17(14-20(23-16)25-12-10-24(2)11-13-25)15-26-9-5-7-19(26)18-6-3-4-8-21-18/h3-4,6,8,14,19H,5,7,9-13,15H2,1-2H3 WMAIZIZUSVPLPP-UHFFFAOYSA-N 50565503 CHEMBL4785166 C-X-C chemokine receptor type 4 319 ChEMBL 10.1016/j.ejmech.2020.112537 10.7270/Q26M3BKK 32768738 Li, Z; Wang, X; Lin, Y; Wang, Y; Wu, S; Xia, K; Xu, C; Ma, H; Zheng, J; Luo, L; Zhu, F; He, S; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565503 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565503&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 138501614 461685841 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51400038 CN1CCN(CC1)c1cc(CN2CCC[C@H]2c2ccccn2)nc(C)n1 InChI=1S/C20H28N6/c1-16-22-17(14-20(23-16)25-12-10-24(2)11-13-25)15-26-9-5-7-19(26)18-6-3-4-8-21-18/h3-4,6,8,14,19H,5,7,9-13,15H2,1-2H3/t19-/m0/s1 WMAIZIZUSVPLPP-IBGZPJMESA-N 50565501 CHEMBL4783831 C-X-C chemokine receptor type 4 2.7 ChEMBL 10.1016/j.ejmech.2020.112537 10.7270/Q26M3BKK 32768738 Li, Z; Wang, X; Lin, Y; Wang, Y; Wu, S; Xia, K; Xu, C; Ma, H; Zheng, J; Luo, L; Zhu, F; He, S; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565501 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565501&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 138501462 461685839 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51400039 CN1CCN(CC1)c1cc(CN2CCC[C@H]2c2ncccc2C)nc(C)n1 InChI=1S/C21H30N6/c1-16-6-4-8-22-21(16)19-7-5-9-27(19)15-18-14-20(24-17(2)23-18)26-12-10-25(3)11-13-26/h4,6,8,14,19H,5,7,9-13,15H2,1-3H3/t19-/m0/s1 SJRFKTBEMQHUCF-IBGZPJMESA-N 50565499 CHEMBL4799439 C-X-C chemokine receptor type 4 0.250000 ChEMBL 10.1016/j.ejmech.2020.112537 10.7270/Q26M3BKK 32768738 Li, Z; Wang, X; Lin, Y; Wang, Y; Wu, S; Xia, K; Xu, C; Ma, H; Zheng, J; Luo, L; Zhu, F; He, S; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565499 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565499&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 138501464 461685837 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51400040 CN1CCN(CC1)c1cc(CN2CCC[C@H]2c2ccc(C)cn2)nc(C)n1 InChI=1S/C21H30N6/c1-16-6-7-19(22-14-16)20-5-4-8-27(20)15-18-13-21(24-17(2)23-18)26-11-9-25(3)10-12-26/h6-7,13-14,20H,4-5,8-12,15H2,1-3H3/t20-/m0/s1 YSIJBVOXDOUPSR-FQEVSTJZSA-N 50565497 CHEMBL4795444 C-X-C chemokine receptor type 4 4.9 ChEMBL 10.1016/j.ejmech.2020.112537 10.7270/Q26M3BKK 32768738 Li, Z; Wang, X; Lin, Y; Wang, Y; Wu, S; Xia, K; Xu, C; Ma, H; Zheng, J; Luo, L; Zhu, F; He, S; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565497 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565497&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 138501437 461685835 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51400041 CN1CCN(CC1)c1nc(C)nc(CN2CCC[C@H]2c2ncccc2C)c1F InChI=1S/C21H29FN6/c1-15-6-4-8-23-20(15)18-7-5-9-28(18)14-17-19(22)21(25-16(2)24-17)27-12-10-26(3)11-13-27/h4,6,8,18H,5,7,9-14H2,1-3H3/t18-/m0/s1 NLCIJDSKNFLLCW-SFHVURJKSA-N 50565504 CHEMBL4799191 C-X-C chemokine receptor type 4 1.1 ChEMBL 10.1016/j.ejmech.2020.112537 10.7270/Q26M3BKK 32768738 Li, Z; Wang, X; Lin, Y; Wang, Y; Wu, S; Xia, K; Xu, C; Ma, H; Zheng, J; Luo, L; Zhu, F; He, S; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565504 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565504&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 138501682 461685842 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51400042 CN1CCN(CC1)c1nc(C)nc(CN2CCC[C@H]2c2ncccc2C)c1C#N InChI=1S/C22H29N7/c1-16-6-4-8-24-21(16)20-7-5-9-29(20)15-19-18(14-23)22(26-17(2)25-19)28-12-10-27(3)11-13-28/h4,6,8,20H,5,7,9-13,15H2,1-3H3/t20-/m0/s1 CFMSLWSGIBOXIG-FQEVSTJZSA-N 50565505 CHEMBL4777386 C-X-C chemokine receptor type 4 1.8 ChEMBL 10.1016/j.ejmech.2020.112537 10.7270/Q26M3BKK 32768738 Li, Z; Wang, X; Lin, Y; Wang, Y; Wu, S; Xia, K; Xu, C; Ma, H; Zheng, J; Luo, L; Zhu, F; He, S; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565505 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565505&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 138501436 461685843 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51400043 CN1CCCN(CC1)c1cc(CN2CCC[C@H]2c2ncccc2C)nc(C)n1 InChI=1S/C22H32N6/c1-17-7-4-9-23-22(17)20-8-5-11-28(20)16-19-15-21(25-18(2)24-19)27-12-6-10-26(3)13-14-27/h4,7,9,15,20H,5-6,8,10-14,16H2,1-3H3/t20-/m0/s1 PXVPDOMSKVKPLE-FQEVSTJZSA-N 50565506 CHEMBL4792975 C-X-C chemokine receptor type 4 0.400000 ChEMBL 10.1016/j.ejmech.2020.112537 10.7270/Q26M3BKK 32768738 Li, Z; Wang, X; Lin, Y; Wang, Y; Wu, S; Xia, K; Xu, C; Ma, H; Zheng, J; Luo, L; Zhu, F; He, S; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565506 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565506&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 138501432 461685844 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51400044 CN(C)C1CCN(CC1)c1cc(CN2CCC[C@H]2c2ncccc2C)nc(C)n1 InChI=1S/C23H34N6/c1-17-7-5-11-24-23(17)21-8-6-12-29(21)16-19-15-22(26-18(2)25-19)28-13-9-20(10-14-28)27(3)4/h5,7,11,15,20-21H,6,8-10,12-14,16H2,1-4H3/t21-/m0/s1 BWQKYAVBAHLVDB-NRFANRHFSA-N 50565507 CHEMBL4787045 C-X-C chemokine receptor type 4 13 ChEMBL 10.1016/j.ejmech.2020.112537 10.7270/Q26M3BKK 32768738 Li, Z; Wang, X; Lin, Y; Wang, Y; Wu, S; Xia, K; Xu, C; Ma, H; Zheng, J; Luo, L; Zhu, F; He, S; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565507 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565507&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 138501429 461685845 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51400045 Cc1nc(CN2CCC[C@H]2c2ncccc2C)cc(NCCN2CCOCC2)n1 InChI=1S/C22H32N6O/c1-17-5-3-7-24-22(17)20-6-4-9-28(20)16-19-15-21(26-18(2)25-19)23-8-10-27-11-13-29-14-12-27/h3,5,7,15,20H,4,6,8-14,16H2,1-2H3,(H,23,25,26)/t20-/m0/s1 ARQGNJZTDBMURV-FQEVSTJZSA-N 50565508 CHEMBL4789233 C-X-C chemokine receptor type 4 2.7 ChEMBL 10.1016/j.ejmech.2020.112537 10.7270/Q26M3BKK 32768738 Li, Z; Wang, X; Lin, Y; Wang, Y; Wu, S; Xia, K; Xu, C; Ma, H; Zheng, J; Luo, L; Zhu, F; He, S; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565508 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565508&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 138501427 461685846 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51400046 C(N1CCCNCCNCCCNCC1)c1ccc(CN2CCCNCCNCCCNCC2)cc1 InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2 YIQPUIGJQJDJOS-UHFFFAOYSA-N 50035696 1,1''-{1,4-phenylenebis(methylene)}-bis{1,4,8,11-tetraaza-cyclotetradecane}::1,4,8,11-tetraazacyclotetradecanyl[4-(1,4,8,11-tetraazacyclotetradecanylmethyl)phenyl]methane::1,4,8,11-tetraazacyclotetradecanyl[4-(1,4,8,11-tetraazacyclotetradecanylmethyl)phenyl]methane(8HBr.2H2O)::1,4-bis((1,4,8,11-tetraazacyclotetradecan-1-yl)methyl)benzene::11''-xylyl bis-1,4,8,11-tetraazacyclotetradecane::11-{4-[4,8, 11-1,4,8,11tetraaza-cyclotetradec-1-ylmethyl]-benzyl}-1,4,8,11tetraaza-cyclotetradecane-1,4,8-tricarboxylic acid tri-tert-butyl ester::AMD-3100::CHEMBL18442::CHEMBL2311089::PLERIXAFOR::PLERIXAFOR OCTAHYDROCHLORIDE::US9205085, MSX-162 C-X-C chemokine receptor type 4 6.1 ChEMBL 10.1016/j.ejmech.2020.112537 10.7270/Q26M3BKK 32768738 Li, Z; Wang, X; Lin, Y; Wang, Y; Wu, S; Xia, K; Xu, C; Ma, H; Zheng, J; Luo, L; Zhu, F; He, S; Zhang, X Soochow University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50035696 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50035696&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 65015 103943663 CHEMBL2311089CHEMBL18442 DB06809 844 ZINC22443609 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51434643 NCCCCN(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc12 InChI=1S/C21H27N5/c22-12-3-4-14-26(15-20-24-17-9-1-2-10-18(17)25-20)19-11-5-7-16-8-6-13-23-21(16)19/h1-2,6,8-10,13,19H,3-5,7,11-12,14-15,22H2,(H,24,25)/t19-/m0/s1 WVLHHLRVNDMIAR-IBGZPJMESA-N 50315305 (S)-N-((1H-benzo[d]imidazol-2-yl)methyl)-N-(4-aminobutyl)-5,6,7,8-tetrahydroquinolin-8-amine::(S)-N1-((1H-benzo[d]imidazol-2-yl)methyl)-N1-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine::CHEMBL518924 C-X-C chemokine receptor type 4 5.2 ChEMBL 10.1021/acsmedchemlett.1c00449 10.7270/Q23N277W 34676043 Nguyen, HH; Tahirovic, YA; Truax, VM; Wilson, RJ; Jecs, E; Miller, EJ; Kim, MB; Akins, NS; Xu, L; Jiang, Y; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315305 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315305&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 11256587 104149666 CHEMBL518924 ZINC33359232 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51434644 NCCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 InChI=1S/C23H32N4/c24-12-3-4-14-27(22-11-5-9-18-10-6-13-25-23(18)22)17-21-15-19-7-1-2-8-20(19)16-26-21/h1-2,6-8,10,13,21-22,26H,3-5,9,11-12,14-17,24H2/t21-,22+/m1/s1 MYCKNKHATQGHEV-YADHBBJMSA-N 50443541 CHEMBL3091687 C-X-C chemokine receptor type 4 6.3 ChEMBL 10.1021/acsmedchemlett.1c00449 10.7270/Q23N277W 34676043 Nguyen, HH; Tahirovic, YA; Truax, VM; Wilson, RJ; Jecs, E; Miller, EJ; Kim, MB; Akins, NS; Xu, L; Jiang, Y; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50443541 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50443541&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 57345320 194941437 CHEMBL3091687 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51434645 CN(C[C@@H]1Cc2c(CN1)cccc2NC1CCNCC1)[C@H]1CCCc2cccnc12 InChI=1S/C25H35N5/c1-30(24-9-3-5-18-7-4-12-27-25(18)24)17-21-15-22-19(16-28-21)6-2-8-23(22)29-20-10-13-26-14-11-20/h2,4,6-8,12,20-21,24,26,28-29H,3,5,9-11,13-17H2,1H3/t21-,24-/m0/s1 CCWGZMAUYPELSW-URXFXBBRSA-N 50579573 CHEMBL4849088 C-X-C chemokine receptor type 4 1670 ChEMBL 10.1021/acsmedchemlett.1c00449 10.7270/Q23N277W 34676043 Nguyen, HH; Tahirovic, YA; Truax, VM; Wilson, RJ; Jecs, E; Miller, EJ; Kim, MB; Akins, NS; Xu, L; Jiang, Y; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50579573 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50579573&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 146398749 471055696 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51434646 CN(C[C@H]1Cc2c(CN1)cccc2N1CCC(N)CC1)[C@H]1CCCc2cccnc12 InChI=1S/C25H35N5/c1-29(24-9-2-5-18-7-4-12-27-25(18)24)17-21-15-22-19(16-28-21)6-3-8-23(22)30-13-10-20(26)11-14-30/h3-4,6-8,12,20-21,24,28H,2,5,9-11,13-17,26H2,1H3/t21-,24+/m1/s1 FJNABJTWQQVNLL-QPPBQGQZSA-N 50579574 CHEMBL4846946 C-X-C chemokine receptor type 4 33 ChEMBL 10.1021/acsmedchemlett.1c00449 10.7270/Q23N277W 34676043 Nguyen, HH; Tahirovic, YA; Truax, VM; Wilson, RJ; Jecs, E; Miller, EJ; Kim, MB; Akins, NS; Xu, L; Jiang, Y; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50579574 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50579574&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 146398479 471055697 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51434647 CN(C[C@H]1Cc2c(CN1)cccc2N[C@H]1CC[C@H](N)CC1)[C@H]1CCCc2cccnc12 InChI=1S/C26H37N5/c1-31(25-9-3-5-18-7-4-14-28-26(18)25)17-22-15-23-19(16-29-22)6-2-8-24(23)30-21-12-10-20(27)11-13-21/h2,4,6-8,14,20-22,25,29-30H,3,5,9-13,15-17,27H2,1H3/t20-,21-,22-,25+/m1/s1 DKKUTHNPNXBEHD-XAISMOLKSA-N 50579575 CHEMBL4864332 C-X-C chemokine receptor type 4 755 ChEMBL 10.1021/acsmedchemlett.1c00449 10.7270/Q23N277W 34676043 Nguyen, HH; Tahirovic, YA; Truax, VM; Wilson, RJ; Jecs, E; Miller, EJ; Kim, MB; Akins, NS; Xu, L; Jiang, Y; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50579575 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50579575&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 146398388 471055698 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51434648 CN(C[C@H]1Cc2c(CN1)cccc2N(C)C1CCN(C)CC1)[C@H]1CCCc2cccnc12 InChI=1S/C27H39N5/c1-30-15-12-23(13-16-30)32(3)25-10-5-8-21-18-29-22(17-24(21)25)19-31(2)26-11-4-7-20-9-6-14-28-27(20)26/h5-6,8-10,14,22-23,26,29H,4,7,11-13,15-19H2,1-3H3/t22-,26+/m1/s1 RIYOSGWBSYGBOO-GJZUVCINSA-N 50579576 CHEMBL4857452 C-X-C chemokine receptor type 4 13 ChEMBL 10.1021/acsmedchemlett.1c00449 10.7270/Q23N277W 34676043 Nguyen, HH; Tahirovic, YA; Truax, VM; Wilson, RJ; Jecs, E; Miller, EJ; Kim, MB; Akins, NS; Xu, L; Jiang, Y; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50579576 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50579576&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 146399128 471055699 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51434649 CN(C)C1CCN(CC1)c1cccc2CN[C@@H](CN(C)[C@H]3CCCc4cccnc34)Cc12 InChI=1S/C27H39N5/c1-30(2)23-12-15-32(16-13-23)25-10-5-8-21-18-29-22(17-24(21)25)19-31(3)26-11-4-7-20-9-6-14-28-27(20)26/h5-6,8-10,14,22-23,26,29H,4,7,11-13,15-19H2,1-3H3/t22-,26+/m1/s1 CRZQSSHPSOLJFR-GJZUVCINSA-N 50579577 CHEMBL4876951 C-X-C chemokine receptor type 4 36 ChEMBL 10.1021/acsmedchemlett.1c00449 10.7270/Q23N277W 34676043 Nguyen, HH; Tahirovic, YA; Truax, VM; Wilson, RJ; Jecs, E; Miller, EJ; Kim, MB; Akins, NS; Xu, L; Jiang, Y; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50579577 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50579577&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 146398482 471055700 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51434650 CN(C[C@@H]1Cc2c(CN1)cccc2NN1CCN(C)CC1)[C@H]1CCCc2cccnc12 InChI=1S/C25H36N6/c1-29-12-14-31(15-13-29)28-23-9-3-7-20-17-27-21(16-22(20)23)18-30(2)24-10-4-6-19-8-5-11-26-25(19)24/h3,5,7-9,11,21,24,27-28H,4,6,10,12-18H2,1-2H3/t21-,24-/m0/s1 SVWVXBQDFIMNCL-URXFXBBRSA-N 50579578 CHEMBL4858136 C-X-C chemokine receptor type 4 47 ChEMBL 10.1021/acsmedchemlett.1c00449 10.7270/Q23N277W 34676043 Nguyen, HH; Tahirovic, YA; Truax, VM; Wilson, RJ; Jecs, E; Miller, EJ; Kim, MB; Akins, NS; Xu, L; Jiang, Y; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50579578 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50579578&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 152829285 471055701 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51434651 CN(C[C@H]1Cc2c(CN1)cccc2N1C[C@@H]2CNC[C@@H]2C1)[C@H]1CCCc2cccnc12 InChI=1S/C26H35N5/c1-30(25-9-2-5-18-7-4-10-28-26(18)25)17-22-11-23-19(14-29-22)6-3-8-24(23)31-15-20-12-27-13-21(20)16-31/h3-4,6-8,10,20-22,25,27,29H,2,5,9,11-17H2,1H3/t20-,21+,22-,25+/m1/s1 LMZNSQMZQDCPCI-FFHOAYQKSA-N 50579579 CHEMBL4853570 C-X-C chemokine receptor type 4 10 ChEMBL 10.1021/acsmedchemlett.1c00449 10.7270/Q23N277W 34676043 Nguyen, HH; Tahirovic, YA; Truax, VM; Wilson, RJ; Jecs, E; Miller, EJ; Kim, MB; Akins, NS; Xu, L; Jiang, Y; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50579579 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50579579&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 146398849 471055702 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51434652 CN(C[C@H]1Cc2c(CN1)cccc2N1C[C@@H]2CN(C)C[C@@H]2C1)[C@H]1CCCc2cccnc12 InChI=1S/C27H37N5/c1-30-14-21-16-32(17-22(21)15-30)25-9-4-7-20-13-29-23(12-24(20)25)18-31(2)26-10-3-6-19-8-5-11-28-27(19)26/h4-5,7-9,11,21-23,26,29H,3,6,10,12-18H2,1-2H3/t21-,22+,23-,26+/m1/s1 KWCZFPWXLAWWED-VUMQFKOGSA-N 50579580 CHEMBL4862509 C-X-C chemokine receptor type 4 9.6 ChEMBL 10.1021/acsmedchemlett.1c00449 10.7270/Q23N277W 34676043 Nguyen, HH; Tahirovic, YA; Truax, VM; Wilson, RJ; Jecs, E; Miller, EJ; Kim, MB; Akins, NS; Xu, L; Jiang, Y; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50579580 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50579580&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 146398485 471055703 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51434653 CN(C[C@H]1Cc2c(CN1)cccc2N1C[C@H]2CCN(C)[C@H]2C1)[C@H]1CCCc2cccnc12 InChI=1S/C27H37N5/c1-30-13-11-21-16-32(18-26(21)30)24-9-4-7-20-15-29-22(14-23(20)24)17-31(2)25-10-3-6-19-8-5-12-28-27(19)25/h4-5,7-9,12,21-22,25-26,29H,3,6,10-11,13-18H2,1-2H3/t21-,22-,25+,26+/m1/s1 CEHFZBBVTDMZDR-PWGHIRGTSA-N 50579581 CHEMBL4862362 C-X-C chemokine receptor type 4 19 ChEMBL 10.1021/acsmedchemlett.1c00449 10.7270/Q23N277W 34676043 Nguyen, HH; Tahirovic, YA; Truax, VM; Wilson, RJ; Jecs, E; Miller, EJ; Kim, MB; Akins, NS; Xu, L; Jiang, Y; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50579581 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50579581&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 146398328 471055704 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51434654 CN(C[C@H]1Cc2c(CN1)cccc2N1C[C@@H]2CCN(C)[C@@H]2C1)[C@H]1CCCc2cccnc12 InChI=1S/C27H37N5/c1-30-13-11-21-16-32(18-26(21)30)24-9-4-7-20-15-29-22(14-23(20)24)17-31(2)25-10-3-6-19-8-5-12-28-27(19)25/h4-5,7-9,12,21-22,25-26,29H,3,6,10-11,13-18H2,1-2H3/t21-,22+,25-,26+/m0/s1 CEHFZBBVTDMZDR-MRGHISEYSA-N 50579582 CHEMBL4875030 C-X-C chemokine receptor type 4 11 ChEMBL 10.1021/acsmedchemlett.1c00449 10.7270/Q23N277W 34676043 Nguyen, HH; Tahirovic, YA; Truax, VM; Wilson, RJ; Jecs, E; Miller, EJ; Kim, MB; Akins, NS; Xu, L; Jiang, Y; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50579582 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50579582&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 146398910 471055705 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51434655 CN(C)[C@@H]1CCN(C1)c1cccc2CN[C@@H](CN(C)[C@H]3CCCc4cccnc34)Cc12 InChI=1S/C26H37N5/c1-29(2)22-12-14-31(18-22)24-10-5-8-20-16-28-21(15-23(20)24)17-30(3)25-11-4-7-19-9-6-13-27-26(19)25/h5-6,8-10,13,21-22,25,28H,4,7,11-12,14-18H2,1-3H3/t21-,22-,25+/m1/s1 ADYXBCCUUZUBGE-RQTOMXEWSA-N 50579583 CHEMBL4877757 C-X-C chemokine receptor type 4 10 ChEMBL 10.1021/acsmedchemlett.1c00449 10.7270/Q23N277W 34676043 Nguyen, HH; Tahirovic, YA; Truax, VM; Wilson, RJ; Jecs, E; Miller, EJ; Kim, MB; Akins, NS; Xu, L; Jiang, Y; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50579583 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50579583&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 146398367 471055706 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51434656 CN(C)[C@H]1CCN(C1)c1cccc2CN[C@@H](CN(C)[C@H]3CCCc4cccnc34)Cc12 InChI=1S/C26H37N5/c1-29(2)22-12-14-31(18-22)24-10-5-8-20-16-28-21(15-23(20)24)17-30(3)25-11-4-7-19-9-6-13-27-26(19)25/h5-6,8-10,13,21-22,25,28H,4,7,11-12,14-18H2,1-3H3/t21-,22+,25+/m1/s1 ADYXBCCUUZUBGE-SLSDLSHTSA-N 50579584 CHEMBL4863276 C-X-C chemokine receptor type 4 11 ChEMBL 10.1021/acsmedchemlett.1c00449 10.7270/Q23N277W 34676043 Nguyen, HH; Tahirovic, YA; Truax, VM; Wilson, RJ; Jecs, E; Miller, EJ; Kim, MB; Akins, NS; Xu, L; Jiang, Y; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50579584 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50579584&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 146398374 471055707 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51434657 CN(C[C@H]1Cc2c(CN1)cccc2NC1CCNCC1)[C@H]1CCCc2cccnc12 InChI=1S/C25H35N5/c1-30(24-9-3-5-18-7-4-12-27-25(18)24)17-21-15-22-19(16-28-21)6-2-8-23(22)29-20-10-13-26-14-11-20/h2,4,6-8,12,20-21,24,26,28-29H,3,5,9-11,13-17H2,1H3/t21-,24+/m1/s1 CCWGZMAUYPELSW-QPPBQGQZSA-N 50579585 CHEMBL4874526 C-X-C chemokine receptor type 4 18 ChEMBL 10.1021/acsmedchemlett.1c00449 10.7270/Q23N277W 34676043 Nguyen, HH; Tahirovic, YA; Truax, VM; Wilson, RJ; Jecs, E; Miller, EJ; Kim, MB; Akins, NS; Xu, L; Jiang, Y; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50579585 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50579585&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 146398747 471055708 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51498159 NC(=N)NCCC[C@H](NCc1ccccn1)C(=O)NCc1ccc(CNCCCNC2CCCCC2)cc1 InChI=1S/C29H46N8O/c30-29(31)35-18-6-11-27(36-22-26-10-4-5-17-34-26)28(38)37-21-24-14-12-23(13-15-24)20-32-16-7-19-33-25-8-2-1-3-9-25/h4-5,10,12-15,17,25,27,32-33,36H,1-3,6-9,11,16,18-22H2,(H,37,38)(H4,30,31,35)/t27-/m0/s1 AMGQQWNQWHMPHG-MHZLTWQESA-N 50603567 CHEMBL5172755 C-X-C chemokine receptor type 4 1.6 ChEMBL 10.7270/Q26W9G5W 35124530 Fang, X; Meng, Q; Zhang, H; Fang, X; Huang, LS; Zhang, X; Schooley, RT; Ciechanover, A; An, J; Xu, Y; Huang, Z Tsinghua University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50603567 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50603567&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 146970182 482614418 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51498160 C(N1CCCNCCNCCCNCC1)c1ccc(CN2CCCNCCNCCCNCC2)cc1 InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2 YIQPUIGJQJDJOS-UHFFFAOYSA-N 50035696 1,1''-{1,4-phenylenebis(methylene)}-bis{1,4,8,11-tetraaza-cyclotetradecane}::1,4,8,11-tetraazacyclotetradecanyl[4-(1,4,8,11-tetraazacyclotetradecanylmethyl)phenyl]methane::1,4,8,11-tetraazacyclotetradecanyl[4-(1,4,8,11-tetraazacyclotetradecanylmethyl)phenyl]methane(8HBr.2H2O)::1,4-bis((1,4,8,11-tetraazacyclotetradecan-1-yl)methyl)benzene::11''-xylyl bis-1,4,8,11-tetraazacyclotetradecane::11-{4-[4,8, 11-1,4,8,11tetraaza-cyclotetradec-1-ylmethyl]-benzyl}-1,4,8,11tetraaza-cyclotetradecane-1,4,8-tricarboxylic acid tri-tert-butyl ester::AMD-3100::CHEMBL18442::CHEMBL2311089::PLERIXAFOR::PLERIXAFOR OCTAHYDROCHLORIDE::US9205085, MSX-162 C-X-C chemokine receptor type 4 3.1 ChEMBL 10.7270/Q26W9G5W 35124530 Fang, X; Meng, Q; Zhang, H; Fang, X; Huang, LS; Zhang, X; Schooley, RT; Ciechanover, A; An, J; Xu, Y; Huang, Z Tsinghua University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50035696 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50035696&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 65015 103943663 CHEMBL2311089CHEMBL18442 DB06809 844 ZINC22443609 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51498161 N\C(NCCC[C@H](NCc1ccccn1)C(=O)NCc1ccc(CNCCCNC2CCCCC2)cc1)=N/C(=O)CCCCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12 InChI=1S/C56H68N10O7S/c57-54(61-29-9-14-48(63-36-41-13-6-8-27-60-41)52(70)64-35-38-18-16-37(17-19-38)34-58-26-10-30-59-39-11-3-1-4-12-39)66-51(69)15-5-2-7-28-62-55(74)65-40-20-23-45-44(31-40)53(71)73-56(45)46-24-21-42(67)32-49(46)72-50-33-43(68)22-25-47(50)56/h6,8,13,16-25,27,31-33,39,48,58-59,63,67-68H,1-5,7,9-12,14-15,26,28-30,34-36H2,(H,64,70)(H2,62,65,74)(H3,57,61,66,69)/t48-/m0/s1 KANFMBTVUGVXPD-DYVQZXGMSA-N 50603568 CHEMBL5197361 C-X-C chemokine receptor type 4 33 ChEMBL 10.7270/Q26W9G5W 35124530 Fang, X; Meng, Q; Zhang, H; Fang, X; Huang, LS; Zhang, X; Schooley, RT; Ciechanover, A; An, J; Xu, Y; Huang, Z Tsinghua University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50603568 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50603568&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 168286390 482614419 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51498162 NC(=N)NCCC[C@H](NCc1ccccn1)C(=O)NCc1ccc(CNCCCNC2CCCCC2)cc1 InChI=1S/C29H46N8O/c30-29(31)35-18-6-11-27(36-22-26-10-4-5-17-34-26)28(38)37-21-24-14-12-23(13-15-24)20-32-16-7-19-33-25-8-2-1-3-9-25/h4-5,10,12-15,17,25,27,32-33,36H,1-3,6-9,11,16,18-22H2,(H,37,38)(H4,30,31,35)/t27-/m0/s1 AMGQQWNQWHMPHG-MHZLTWQESA-N 50603567 CHEMBL5172755 C-X-C chemokine receptor type 4 12 ChEMBL 10.7270/Q26W9G5W 35124530 Fang, X; Meng, Q; Zhang, H; Fang, X; Huang, LS; Zhang, X; Schooley, RT; Ciechanover, A; An, J; Xu, Y; Huang, Z Tsinghua University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50603567 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50603567&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 146970182 482614418 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51498163 C(N1CCCNCCNCCCNCC1)c1ccc(CN2CCCNCCNCCCNCC2)cc1 InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2 YIQPUIGJQJDJOS-UHFFFAOYSA-N 50035696 1,1''-{1,4-phenylenebis(methylene)}-bis{1,4,8,11-tetraaza-cyclotetradecane}::1,4,8,11-tetraazacyclotetradecanyl[4-(1,4,8,11-tetraazacyclotetradecanylmethyl)phenyl]methane::1,4,8,11-tetraazacyclotetradecanyl[4-(1,4,8,11-tetraazacyclotetradecanylmethyl)phenyl]methane(8HBr.2H2O)::1,4-bis((1,4,8,11-tetraazacyclotetradecan-1-yl)methyl)benzene::11''-xylyl bis-1,4,8,11-tetraazacyclotetradecane::11-{4-[4,8, 11-1,4,8,11tetraaza-cyclotetradec-1-ylmethyl]-benzyl}-1,4,8,11tetraaza-cyclotetradecane-1,4,8-tricarboxylic acid tri-tert-butyl ester::AMD-3100::CHEMBL18442::CHEMBL2311089::PLERIXAFOR::PLERIXAFOR OCTAHYDROCHLORIDE::US9205085, MSX-162 C-X-C chemokine receptor type 4 320 ChEMBL 10.7270/Q26W9G5W 35124530 Fang, X; Meng, Q; Zhang, H; Fang, X; Huang, LS; Zhang, X; Schooley, RT; Ciechanover, A; An, J; Xu, Y; Huang, Z Tsinghua University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50035696 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50035696&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 65015 103943663 CHEMBL2311089CHEMBL18442 DB06809 844 ZINC22443609 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51498164 NC(=N)NCCC[C@H](NCc1ccccn1)C(=O)NCc1ccc(CNCCCNC2CCCCC2)cc1 InChI=1S/C29H46N8O/c30-29(31)35-18-6-11-27(36-22-26-10-4-5-17-34-26)28(38)37-21-24-14-12-23(13-15-24)20-32-16-7-19-33-25-8-2-1-3-9-25/h4-5,10,12-15,17,25,27,32-33,36H,1-3,6-9,11,16,18-22H2,(H,37,38)(H4,30,31,35)/t27-/m0/s1 AMGQQWNQWHMPHG-MHZLTWQESA-N 50603567 CHEMBL5172755 C-X-C chemokine receptor type 4 236 ChEMBL 10.7270/Q26W9G5W 35124530 Fang, X; Meng, Q; Zhang, H; Fang, X; Huang, LS; Zhang, X; Schooley, RT; Ciechanover, A; An, J; Xu, Y; Huang, Z Tsinghua University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50603567 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50603567&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 146970182 482614418 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51498165 C(N1CCCNCCNCCCNCC1)c1ccc(CN2CCCNCCNCCCNCC2)cc1 InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2 YIQPUIGJQJDJOS-UHFFFAOYSA-N 50035696 1,1''-{1,4-phenylenebis(methylene)}-bis{1,4,8,11-tetraaza-cyclotetradecane}::1,4,8,11-tetraazacyclotetradecanyl[4-(1,4,8,11-tetraazacyclotetradecanylmethyl)phenyl]methane::1,4,8,11-tetraazacyclotetradecanyl[4-(1,4,8,11-tetraazacyclotetradecanylmethyl)phenyl]methane(8HBr.2H2O)::1,4-bis((1,4,8,11-tetraazacyclotetradecan-1-yl)methyl)benzene::11''-xylyl bis-1,4,8,11-tetraazacyclotetradecane::11-{4-[4,8, 11-1,4,8,11tetraaza-cyclotetradec-1-ylmethyl]-benzyl}-1,4,8,11tetraaza-cyclotetradecane-1,4,8-tricarboxylic acid tri-tert-butyl ester::AMD-3100::CHEMBL18442::CHEMBL2311089::PLERIXAFOR::PLERIXAFOR OCTAHYDROCHLORIDE::US9205085, MSX-162 C-X-C chemokine receptor type 4 625 ChEMBL 10.7270/Q26W9G5W 35124530 Fang, X; Meng, Q; Zhang, H; Fang, X; Huang, LS; Zhang, X; Schooley, RT; Ciechanover, A; An, J; Xu, Y; Huang, Z Tsinghua University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50035696 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50035696&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 65015 103943663 CHEMBL2311089CHEMBL18442 DB06809 844 ZINC22443609 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51508900 CN1CCCc2cc(Cc3cnc(N)nc3N)ccc12 InChI=1S/C15H19N5/c1-20-6-2-3-11-7-10(4-5-13(11)20)8-12-9-18-15(17)19-14(12)16/h4-5,7,9H,2-3,6,8H2,1H3,(H4,16,17,18,19) VZDZIQCTRIYVLF-UHFFFAOYSA-N 50421848 CHEMBL5278283 C-X-C chemokine receptor type 4 699 ChEMBL 10.7270/Q2QJ7NGF 32492596 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50421848 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50421848&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 23323039 164150723 CHEMBL60582 ZINC29567539 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51508901 CCOC(=O)C1CNc2c(OC)cc(Cc3cnc(N)nc3N)c(OC)c2C1 InChI=1S/C19H25N5O4/c1-4-28-18(25)12-6-13-15(22-9-12)14(26-2)7-10(16(13)27-3)5-11-8-23-19(21)24-17(11)20/h7-8,12,22H,4-6,9H2,1-3H3,(H4,20,21,23,24) OXTWQTKRHYYFRQ-UHFFFAOYSA-N 50421849 CHEMBL5283078 C-X-C chemokine receptor type 4 20 ChEMBL 10.7270/Q2QJ7NGF 32492596 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50421849 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50421849&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 23323072 164150724 CHEMBL292621 ZINC29559567 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51508902 CCc1cc(Cc2cnc(N)nc2N)cc2C(C)CCN(C)c12 InChI=1S/C18H25N5/c1-4-13-7-12(8-14-10-21-18(20)22-17(14)19)9-15-11(2)5-6-23(3)16(13)15/h7,9-11H,4-6,8H2,1-3H3,(H4,19,20,21,22) ROFHCHDLNGIYAX-UHFFFAOYSA-N 50421850 CHEMBL5280629 C-X-C chemokine receptor type 4 >10000 ChEMBL 10.7270/Q2QJ7NGF 32492596 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50421850 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50421850&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 44300725 164150725 CHEMBL57458 ZINC29560179 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51508903 C(NCc1ccccn1)c1ccc(CNCc2ccccn2)cc1 InChI=1S/C20H22N4/c1-3-11-23-19(5-1)15-21-13-17-7-9-18(10-8-17)14-22-16-20-6-2-4-12-24-20/h1-12,21-22H,13-16H2 FWRIJPBZFBPGNT-UHFFFAOYSA-N 194537 US9205085, MSX- 161s C-X-C chemokine receptor type 4 >10000 ChEMBL 10.7270/Q2QJ7NGF 32492596 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=194537 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=194537&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 22256480 318150385 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51508904 CCN1CC(CO)Cc2cc(Cc3cnc(N)nc3N)cc(OC)c12 InChI=1S/C18H25N5O2/c1-3-23-9-12(10-24)6-13-4-11(7-15(25-2)16(13)23)5-14-8-21-18(20)22-17(14)19/h4,7-8,12,24H,3,5-6,9-10H2,1-2H3,(H4,19,20,21,22) HJXOTJSRBNRVMW-UHFFFAOYSA-N 50421851 CHEMBL5273456 C-X-C chemokine receptor type 4 312 ChEMBL 10.7270/Q2QJ7NGF 32492596 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50421851 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50421851&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 44300761 164150726 CHEMBL57829 ZINC29559573 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51508905 COc1cc(Cc2cnc(N)nc2N)cc2CC(COC(C)=O)CNc12 InChI=1S/C18H23N5O3/c1-10(24)26-9-12-5-13-3-11(6-15(25-2)16(13)21-7-12)4-14-8-22-18(20)23-17(14)19/h3,6,8,12,21H,4-5,7,9H2,1-2H3,(H4,19,20,22,23) IUTSNRRXQPUZNH-UHFFFAOYSA-N 50421852 CHEMBL5283007 C-X-C chemokine receptor type 4 156 ChEMBL 10.7270/Q2QJ7NGF 32492596 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50421852 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50421852&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 44300779 164150727 CHEMBL57807 ZINC29558183 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51508906 Cc1ccnc2c(N)cc(Cc3cnc(N)nc3N)cc12 InChI=1S/C15H16N6/c1-8-2-3-19-13-11(8)5-9(6-12(13)16)4-10-7-20-15(18)21-14(10)17/h2-3,5-7H,4,16H2,1H3,(H4,17,18,20,21) KQQMBGTVDPCLIU-UHFFFAOYSA-N 50421853 CHEMBL5282178 C-X-C chemokine receptor type 4 68 ChEMBL 10.7270/Q2QJ7NGF 32492596 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50421853 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50421853&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 23323066 164150728 CHEMBL58744 ZINC29567217 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51508907 CC1CCNc2ccc(Cc3cnc(N)nc3N)cc12 InChI=1S/C15H19N5/c1-9-4-5-18-13-3-2-10(7-12(9)13)6-11-8-19-15(17)20-14(11)16/h2-3,7-9,18H,4-6H2,1H3,(H4,16,17,19,20) DMGSYGBIKYHPEJ-UHFFFAOYSA-N 50421854 CHEMBL5269411 C-X-C chemokine receptor type 4 41 ChEMBL 10.7270/Q2QJ7NGF 32492596 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50421854 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50421854&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 23323042 164150729 CHEMBL60632 ZINC29561249 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51508908 COc1cc(Cc2cnc(N)nc2N)cc2CC(CO)CNc12 InChI=1S/C16H21N5O2/c1-23-13-5-9(3-12-7-20-16(18)21-15(12)17)2-11-4-10(8-22)6-19-14(11)13/h2,5,7,10,19,22H,3-4,6,8H2,1H3,(H4,17,18,20,21) PXEPXKJNUDMGFE-UHFFFAOYSA-N 50421855 CHEMBL5266216 C-X-C chemokine receptor type 4 354 ChEMBL 10.7270/Q2QJ7NGF 32492596 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50421855 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50421855&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 44300778 164150730 CHEMBL293977 ZINC29558176 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51508909 Cc1ccnc2ccc(Cc3cnc(N)nc3N)cc12 InChI=1S/C15H15N5/c1-9-4-5-18-13-3-2-10(7-12(9)13)6-11-8-19-15(17)20-14(11)16/h2-5,7-8H,6H2,1H3,(H4,16,17,19,20) WHLMSTTWJMOYPJ-UHFFFAOYSA-N 50421856 CHEMBL5277914 C-X-C chemokine receptor type 4 69 ChEMBL 10.7270/Q2QJ7NGF 32492596 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50421856 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50421856&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 23323058 164150731 CHEMBL59283 ZINC29569115 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51508910 COCCOc1cc(Cc2cnc(N)nc2N)cc2cccnc12 InChI=1S/C17H19N5O2/c1-23-5-6-24-14-9-11(7-12-3-2-4-20-15(12)14)8-13-10-21-17(19)22-16(13)18/h2-4,7,9-10H,5-6,8H2,1H3,(H4,18,19,21,22) JPJZDOMKOVMUEI-UHFFFAOYSA-N 50421857 CHEMBL5290852 C-X-C chemokine receptor type 4 48 ChEMBL 10.7270/Q2QJ7NGF 32492596 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50421857 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50421857&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 23323073 164150732 CHEMBL57900 ZINC01551197 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51508911 CCN1CCC(C)c2cc(Cc3cnc(N)nc3N)ccc12 InChI=1S/C17H23N5/c1-3-22-7-6-11(2)14-9-12(4-5-15(14)22)8-13-10-20-17(19)21-16(13)18/h4-5,9-11H,3,6-8H2,1-2H3,(H4,18,19,20,21) BVTLYXPJXLFKHC-UHFFFAOYSA-N 50421858 CHEMBL5276826 C-X-C chemokine receptor type 4 147 ChEMBL 10.7270/Q2QJ7NGF 32492596 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50421858 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50421858&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 23323044 164150733 CHEMBL56652 ZINC29554489 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51508912 CC1CC(C)c2cc(Cc3cnc(N)nc3N)cc(Cl)c2N1 InChI=1S/C16H20ClN5/c1-8-3-9(2)21-14-12(8)5-10(6-13(14)17)4-11-7-20-16(19)22-15(11)18/h5-9,21H,3-4H2,1-2H3,(H4,18,19,20,22) VOABTGRNIMDWHY-UHFFFAOYSA-N 50421859 CHEMBL5285076 C-X-C chemokine receptor type 4 81 ChEMBL 10.7270/Q2QJ7NGF 32492596 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50421859 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50421859&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 23323059 164150734 CHEMBL60636 ZINC29561261 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51508913 COc1cc(Cc2cnc(N)nc2N)cc2C(C)CCN(CCOC(C)=O)c12 InChI=1S/C20H27N5O3/c1-12-4-5-25(6-7-28-13(2)26)18-16(12)9-14(10-17(18)27-3)8-15-11-23-20(22)24-19(15)21/h9-12H,4-8H2,1-3H3,(H4,21,22,23,24) MMPFYSRMKOTYDR-UHFFFAOYSA-N 50421860 CHEMBL5283630 C-X-C chemokine receptor type 4 68 ChEMBL 10.7270/Q2QJ7NGF 32492596 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50421860 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50421860&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 44300766 164150735 CHEMBL292839 ZINC29560188 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51508914 Nc1ncc(Cc2ccc3ncccc3c2)c(N)n1 InChI=1S/C14H13N5/c15-13-11(8-18-14(16)19-13)7-9-3-4-12-10(6-9)2-1-5-17-12/h1-6,8H,7H2,(H4,15,16,18,19) LRRDHKIOTZMOTN-UHFFFAOYSA-N 50421861 CHEMBL5275975 C-X-C chemokine receptor type 4 119 ChEMBL 10.7270/Q2QJ7NGF 32492596 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50421861 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50421861&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 44300726 164150736 CHEMBL57459 ZINC29560182 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51508915 COc1cc(Cc2cnc(N)nc2N)cc2cccnc12 InChI=1S/C15H15N5O/c1-21-12-7-9(5-10-3-2-4-18-13(10)12)6-11-8-19-15(17)20-14(11)16/h2-5,7-8H,6H2,1H3,(H4,16,17,19,20) SWFUEQPLVRLTCU-UHFFFAOYSA-N 50421862 CHEMBL5291454 C-X-C chemokine receptor type 4 194 ChEMBL 10.7270/Q2QJ7NGF 32492596 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50421862 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50421862&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 23323057 164150737 CHEMBL293325 ZINC29569118 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51508916 COc1cc(Cc2cnc(N)nc2N)cc2c(C)cc(C)nc12 InChI=1S/C17H19N5O/c1-9-4-10(2)21-15-13(9)6-11(7-14(15)23-3)5-12-8-20-17(19)22-16(12)18/h4,6-8H,5H2,1-3H3,(H4,18,19,20,22) SCMXVUVXPVNIHS-UHFFFAOYSA-N 50421863 CHEMBL5277386 C-X-C chemokine receptor type 4 122 ChEMBL 10.7270/Q2QJ7NGF 32492596 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50421863 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50421863&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 23323062 164150738 CHEMBL57377 ZINC29561452 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51508917 C(N1CCCNCCNCCCNCC1)c1ccc(CN2CCCNCCNCCCNCC2)cc1 InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2 YIQPUIGJQJDJOS-UHFFFAOYSA-N 50035696 1,1''-{1,4-phenylenebis(methylene)}-bis{1,4,8,11-tetraaza-cyclotetradecane}::1,4,8,11-tetraazacyclotetradecanyl[4-(1,4,8,11-tetraazacyclotetradecanylmethyl)phenyl]methane::1,4,8,11-tetraazacyclotetradecanyl[4-(1,4,8,11-tetraazacyclotetradecanylmethyl)phenyl]methane(8HBr.2H2O)::1,4-bis((1,4,8,11-tetraazacyclotetradecan-1-yl)methyl)benzene::11''-xylyl bis-1,4,8,11-tetraazacyclotetradecane::11-{4-[4,8, 11-1,4,8,11tetraaza-cyclotetradec-1-ylmethyl]-benzyl}-1,4,8,11tetraaza-cyclotetradecane-1,4,8-tricarboxylic acid tri-tert-butyl ester::AMD-3100::CHEMBL18442::CHEMBL2311089::PLERIXAFOR::PLERIXAFOR OCTAHYDROCHLORIDE::US9205085, MSX-162 C-X-C chemokine receptor type 4 325 ChEMBL 10.7270/Q2QJ7NGF 32492596 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50035696 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50035696&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search VH6 65015 103943663 CHEMBL2311089CHEMBL18442 DB06809 844 ZINC22443609 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51508918 Cc1ccnc2ccc(Cc3cnc(N)nc3N)c(N)c12 InChI=1S/C15H16N6/c1-8-4-5-19-11-3-2-9(13(16)12(8)11)6-10-7-20-15(18)21-14(10)17/h2-5,7H,6,16H2,1H3,(H4,17,18,20,21) AEVPVLVQOALREA-UHFFFAOYSA-N 50421864 CHEMBL5283015 C-X-C chemokine receptor type 4 1698 ChEMBL 10.7270/Q2QJ7NGF 32492596 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50421864 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50421864&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 23323070 164150739 CHEMBL441616 ZINC29568903 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51508919 CCOC(=O)C1CNc2c(OC)cc(Cc3cnc(N)nc3N)c(OC)c2C1 InChI=1S/C19H25N5O4/c1-4-28-18(25)12-6-13-15(22-9-12)14(26-2)7-10(16(13)27-3)5-11-8-23-19(21)24-17(11)20/h7-8,12,22H,4-6,9H2,1-3H3,(H4,20,21,23,24) OXTWQTKRHYYFRQ-UHFFFAOYSA-N 50421849 CHEMBL5283078 C-X-C chemokine receptor type 4 119 ChEMBL 10.7270/Q2QJ7NGF 32492596 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50421849 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50421849&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 23323072 164150724 CHEMBL292621 ZINC29559567 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51508920 C(N1CCCNCCNCCCNCC1)c1ccc(CN2CCCNCCNCCCNCC2)cc1 InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2 YIQPUIGJQJDJOS-UHFFFAOYSA-N 50035696 1,1''-{1,4-phenylenebis(methylene)}-bis{1,4,8,11-tetraaza-cyclotetradecane}::1,4,8,11-tetraazacyclotetradecanyl[4-(1,4,8,11-tetraazacyclotetradecanylmethyl)phenyl]methane::1,4,8,11-tetraazacyclotetradecanyl[4-(1,4,8,11-tetraazacyclotetradecanylmethyl)phenyl]methane(8HBr.2H2O)::1,4-bis((1,4,8,11-tetraazacyclotetradecan-1-yl)methyl)benzene::11''-xylyl bis-1,4,8,11-tetraazacyclotetradecane::11-{4-[4,8, 11-1,4,8,11tetraaza-cyclotetradec-1-ylmethyl]-benzyl}-1,4,8,11tetraaza-cyclotetradecane-1,4,8-tricarboxylic acid tri-tert-butyl ester::AMD-3100::CHEMBL18442::CHEMBL2311089::PLERIXAFOR::PLERIXAFOR OCTAHYDROCHLORIDE::US9205085, MSX-162 C-X-C chemokine receptor type 4 2.9 ChEMBL 10.7270/Q2QJ7NGF 32492596 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50035696 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50035696&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search VH6 65015 103943663 CHEMBL2311089CHEMBL18442 DB06809 844 ZINC22443609 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51521650 C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NCCCCCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O InChI=1S/C62H108N24O14/c1-37(52(93)85-45(51(66)92)34-38-16-4-2-5-17-38)79-55(96)41(21-13-31-75-61(69)70)80-48(88)35-77-59(100)46-23-15-33-86(46)49(89)36-78-53(94)40(20-12-30-74-60(67)68)81-58(99)44(25-26-47(65)87)84-56(97)42(19-8-10-28-64)83-57(98)43(22-14-32-76-62(71)72)82-54(95)39(18-7-9-27-63)73-29-11-3-6-24-50(90)91/h2,4-5,16-17,37,39-46,73H,3,6-15,18-36,63-64H2,1H3,(H2,65,87)(H2,66,92)(H,77,100)(H,78,94)(H,79,96)(H,80,88)(H,81,99)(H,82,95)(H,83,98)(H,84,97)(H,85,93)(H,90,91)(H4,67,68,74)(H4,69,70,75)(H4,71,72,76)/t37-,39-,40-,41-,42-,43-,44-,45-,46-/m0/s1 ZQCLMGAQHYHGLK-HBRBTUILSA-N 50612656 CHEMBL5278507 C-X-C chemokine receptor type 4 >50000 ChEMBL 10.7270/Q2J67N5D 36270088 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50612656 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50612656&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 171352317 494502404 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51521651 CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(O)=O)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(N)=N)C(=O)N(CCCCCC(O)=O)[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O InChI=1S/C126H209N47O29/c1-70(2)58-77(131)105(186)151-65-97(176)155-71(3)103(184)170-92(68-174)116(197)167-89(60-74-63-150-78-31-11-10-30-76(74)78)113(194)168-90(61-75-64-144-69-154-75)114(195)165-87(39-25-54-149-126(142)143)121(202)173-57-27-42-95(173)119(200)169-91(62-101(181)182)115(196)161-82(33-13-17-47-128)108(189)160-83(34-14-18-48-129)111(192)164-86(38-24-53-148-125(140)141)120(201)172(55-20-6-9-43-100(179)180)94(40-15-19-49-130)118(199)163-84(37-23-52-147-124(138)139)110(191)159-81(32-12-16-46-127)109(190)162-85(44-45-96(132)175)112(193)158-79(35-21-50-145-122(134)135)106(187)153-67-99(178)171-56-26-41-93(171)117(198)152-66-98(177)157-80(36-22-51-146-123(136)137)107(188)156-72(4)104(185)166-88(102(133)183)59-73-28-7-5-8-29-73/h5,7-8,10-11,28-31,63-64,69-72,77,79-95,150,174H,6,9,12-27,32-62,65-68,127-131H2,1-4H3,(H2,132,175)(H2,133,183)(H,144,154)(H,151,186)(H,152,198)(H,153,187)(H,155,176)(H,156,188)(H,157,177)(H,158,193)(H,159,191)(H,160,189)(H,161,196)(H,162,190)(H,163,199)(H,164,192)(H,165,195)(H,166,185)(H,167,197)(H,168,194)(H,169,200)(H,170,184)(H,179,180)(H,181,182)(H4,134,135,145)(H4,136,137,146)(H4,138,139,147)(H4,140,141,148)(H4,142,143,149)/t71-,72+,77-,79+,80+,81+,82-,83-,84+,85+,86-,87-,88+,89-,90-,91-,92-,93+,94+,95-/m1/s1 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http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50612659 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50612659&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 171344606 494502407 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51521654 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DEUNKXAIWRWNTD-RBQJQTRVSA-N 50612660 CHEMBL5267316 C-X-C chemokine receptor type 4 48 ChEMBL 10.7270/Q2J67N5D 36270088 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50612660 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50612660&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 171349768 494502408 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 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DEUNKXAIWRWNTD-BJVUKCLFSA-N 50612661 CHEMBL5290756 C-X-C chemokine receptor type 4 43 ChEMBL 10.7270/Q2J67N5D 36270088 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50612661 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50612661&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 171358808 494502409 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51521656 CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(O)=O)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(N)=N)C(=O)N(CCCCCC(O)=O)[C@@H](CCCCN[C@H](CS)C(=O)N[C@@H]([C@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)C(N)=O InChI=1S/C122H206N46O33S/c1-62(2)49-69(126)100(183)147-58-92(175)149-63(3)99(182)163-84(59-169)110(193)157-78(50-66-56-146-70-26-9-8-25-68(66)70)104(187)158-79(51-67-57-140-61-148-67)105(188)155-76(32-21-44-144-121(136)137)117(200)167-47-24-36-88(167)113(196)162-83(55-94(178)179)108(191)152-72(27-10-14-38-123)102(185)151-73(28-11-15-39-124)103(186)154-75(31-20-43-143-120(134)135)116(199)166(46-18-6-7-37-93(176)177)86(98(131)181)34-13-17-41-141-85(60-202)111(194)165-96(65(5)171)115(198)156-77(33-22-45-145-122(138)139)118(201)168-48-23-35-87(168)112(195)161-81(53-90(128)173)107(190)159-80(52-89(127)172)106(189)160-82(54-91(129)174)109(192)164-95(64(4)170)114(197)153-74(29-12-16-40-125)101(184)150-71(97(130)180)30-19-42-142-119(132)133/h8-9,25-26,56-57,61-65,69,71-88,95-96,141,146,169-171,202H,6-7,10-24,27-55,58-60,123-126H2,1-5H3,(H2,127,172)(H2,128,173)(H2,129,174)(H2,130,180)(H2,131,181)(H,140,148)(H,147,183)(H,149,175)(H,150,184)(H,151,185)(H,152,191)(H,153,197)(H,154,186)(H,155,188)(H,156,198)(H,157,193)(H,158,187)(H,159,190)(H,160,189)(H,161,195)(H,162,196)(H,163,182)(H,164,192)(H,165,194)(H,176,177)(H,178,179)(H4,132,133,142)(H4,134,135,143)(H4,136,137,144)(H4,138,139,145)/t63-,64+,65+,69-,71+,72-,73-,74+,75-,76-,77+,78-,79-,80+,81+,82+,83-,84-,85-,86+,87+,88-,95+,96+/m1/s1 GBNHYPSHRYPZFT-PWYZCTJBSA-N 50612662 CHEMBL5280362 C-X-C chemokine receptor type 4 25 ChEMBL 10.7270/Q2J67N5D 36270088 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50612662 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50612662&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 171355291 494502410 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51521657 CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(O)=O)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(N)=N)C(=O)N(CCCCCC(O)=O)[C@H](CCCCN[C@@H](CS)C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(N)=O)C(=O)N[C@H](CC(N)=O)C(=O)N[C@H](CC(N)=O)C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(N)=N)C(N)=O)C(N)=O InChI=1S/C122H206N46O33S/c1-62(2)49-69(126)100(183)147-58-92(175)149-63(3)99(182)163-84(59-169)110(193)157-78(50-66-56-146-70-26-9-8-25-68(66)70)104(187)158-79(51-67-57-140-61-148-67)105(188)155-76(32-21-44-144-121(136)137)117(200)167-47-24-36-88(167)113(196)162-83(55-94(178)179)108(191)152-72(27-10-14-38-123)102(185)151-73(28-11-15-39-124)103(186)154-75(31-20-43-143-120(134)135)116(199)166(46-18-6-7-37-93(176)177)86(98(131)181)34-13-17-41-141-85(60-202)111(194)165-96(65(5)171)115(198)156-77(33-22-45-145-122(138)139)118(201)168-48-23-35-87(168)112(195)161-81(53-90(128)173)107(190)159-80(52-89(127)172)106(189)160-82(54-91(129)174)109(192)164-95(64(4)170)114(197)153-74(29-12-16-40-125)101(184)150-71(97(130)180)30-19-42-142-119(132)133/h8-9,25-26,56-57,61-65,69,71-88,95-96,141,146,169-171,202H,6-7,10-24,27-55,58-60,123-126H2,1-5H3,(H2,127,172)(H2,128,173)(H2,129,174)(H2,130,180)(H2,131,181)(H,140,148)(H,147,183)(H,149,175)(H,150,184)(H,151,185)(H,152,191)(H,153,197)(H,154,186)(H,155,188)(H,156,198)(H,157,193)(H,158,187)(H,159,190)(H,160,189)(H,161,195)(H,162,196)(H,163,182)(H,164,192)(H,165,194)(H,176,177)(H,178,179)(H4,132,133,142)(H4,134,135,143)(H4,136,137,144)(H4,138,139,145)/t63-,64-,65-,69-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85+,86-,87-,88-,95-,96-/m1/s1 GBNHYPSHRYPZFT-BJVUKCLFSA-N 50612663 CHEMBL5280204 C-X-C chemokine receptor type 4 27 ChEMBL 10.7270/Q2J67N5D 36270088 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50612663 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50612663&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 171356021 494502411 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51521658 CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(O)=O)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(N)=N)C(N)=O InChI=1S/C64H104N24O15/c1-34(2)25-39(67)54(95)77-31-50(90)79-35(3)53(94)87-48(32-89)60(101)84-45(26-36-29-76-40-14-5-4-13-38(36)40)57(98)85-46(27-37-30-73-33-78-37)58(99)83-44(18-11-23-75-64(71)72)62(103)88-24-12-19-49(88)61(102)86-47(28-51(91)92)59(100)82-43(16-7-9-21-66)56(97)81-42(15-6-8-20-65)55(96)80-41(52(68)93)17-10-22-74-63(69)70/h4-5,13-14,29-30,33-35,39,41-49,76,89H,6-12,15-28,31-32,65-67H2,1-3H3,(H2,68,93)(H,73,78)(H,77,95)(H,79,90)(H,80,96)(H,81,97)(H,82,100)(H,83,99)(H,84,101)(H,85,98)(H,86,102)(H,87,94)(H,91,92)(H4,69,70,74)(H4,71,72,75)/t35-,39-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m1/s1 LYCSSSDWYHYSKL-ATZFVZJKSA-N 50524297 CHEMBL4565225 C-X-C chemokine receptor type 4 531 ChEMBL 10.7270/Q2J67N5D 36270088 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50524297 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50524297&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 155560189 440732879 C06396 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51521659 C(N1CCCNCCNCCCNCC1)c1ccc(CN2CCCNCCNCCCNCC2)cc1 InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2 YIQPUIGJQJDJOS-UHFFFAOYSA-N 50035696 1,1''-{1,4-phenylenebis(methylene)}-bis{1,4,8,11-tetraaza-cyclotetradecane}::1,4,8,11-tetraazacyclotetradecanyl[4-(1,4,8,11-tetraazacyclotetradecanylmethyl)phenyl]methane::1,4,8,11-tetraazacyclotetradecanyl[4-(1,4,8,11-tetraazacyclotetradecanylmethyl)phenyl]methane(8HBr.2H2O)::1,4-bis((1,4,8,11-tetraazacyclotetradecan-1-yl)methyl)benzene::11''-xylyl bis-1,4,8,11-tetraazacyclotetradecane::11-{4-[4,8, 11-1,4,8,11tetraaza-cyclotetradec-1-ylmethyl]-benzyl}-1,4,8,11tetraaza-cyclotetradecane-1,4,8-tricarboxylic acid tri-tert-butyl ester::AMD-3100::CHEMBL18442::CHEMBL2311089::PLERIXAFOR::PLERIXAFOR OCTAHYDROCHLORIDE::US9205085, MSX-162 C-X-C chemokine receptor type 4 320 ChEMBL 10.7270/Q2J67N5D 36270088 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50035696 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50035696&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search VH6 65015 103943663 CHEMBL2311089CHEMBL18442 DB06809 844 ZINC22443609 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51521660 CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(O)=O)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(N)=N)C(=O)N(CCCCCC(O)=O)[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O InChI=1S/C126H209N47O29/c1-70(2)58-77(131)105(186)151-65-97(176)155-71(3)103(184)170-92(68-174)116(197)167-89(60-74-63-150-78-31-11-10-30-76(74)78)113(194)168-90(61-75-64-144-69-154-75)114(195)165-87(39-25-54-149-126(142)143)121(202)173-57-27-42-95(173)119(200)169-91(62-101(181)182)115(196)161-82(33-13-17-47-128)108(189)160-83(34-14-18-48-129)111(192)164-86(38-24-53-148-125(140)141)120(201)172(55-20-6-9-43-100(179)180)94(40-15-19-49-130)118(199)163-84(37-23-52-147-124(138)139)110(191)159-81(32-12-16-46-127)109(190)162-85(44-45-96(132)175)112(193)158-79(35-21-50-145-122(134)135)106(187)153-67-99(178)171-56-26-41-93(171)117(198)152-66-98(177)157-80(36-22-51-146-123(136)137)107(188)156-72(4)104(185)166-88(102(133)183)59-73-28-7-5-8-29-73/h5,7-8,10-11,28-31,63-64,69-72,77,79-95,150,174H,6,9,12-27,32-62,65-68,127-131H2,1-4H3,(H2,132,175)(H2,133,183)(H,144,154)(H,151,186)(H,152,198)(H,153,187)(H,155,176)(H,156,188)(H,157,177)(H,158,193)(H,159,191)(H,160,189)(H,161,196)(H,162,190)(H,163,199)(H,164,192)(H,165,195)(H,166,185)(H,167,197)(H,168,194)(H,169,200)(H,170,184)(H,179,180)(H,181,182)(H4,134,135,145)(H4,136,137,146)(H4,138,139,147)(H4,140,141,148)(H4,142,143,149)/t71-,72+,77-,79+,80+,81+,82-,83-,84+,85+,86-,87-,88+,89-,90-,91-,92-,93+,94+,95-/m1/s1 LSXXWLARMXXMGZ-QJRONVNXSA-N 50612657 CHEMBL5281510 C-X-C chemokine receptor type 4 6080 ChEMBL 10.7270/Q2J67N5D 36270088 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50612657 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50612657&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 171353824 494502405 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51521661 CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(O)=O)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(N)=N)C(=O)N(CCCCCC(O)=O)[C@H](CCCCN)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CCCNC(N)=N)C(=O)NCC(=O)N1CCC[C@@H]1C(=O)NCC(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](C)C(=O)N[C@H](Cc1ccccc1)C(N)=O InChI=1S/C126H209N47O29/c1-70(2)58-77(131)105(186)151-65-97(176)155-71(3)103(184)170-92(68-174)116(197)167-89(60-74-63-150-78-31-11-10-30-76(74)78)113(194)168-90(61-75-64-144-69-154-75)114(195)165-87(39-25-54-149-126(142)143)121(202)173-57-27-42-95(173)119(200)169-91(62-101(181)182)115(196)161-82(33-13-17-47-128)108(189)160-83(34-14-18-48-129)111(192)164-86(38-24-53-148-125(140)141)120(201)172(55-20-6-9-43-100(179)180)94(40-15-19-49-130)118(199)163-84(37-23-52-147-124(138)139)110(191)159-81(32-12-16-46-127)109(190)162-85(44-45-96(132)175)112(193)158-79(35-21-50-145-122(134)135)106(187)153-67-99(178)171-56-26-41-93(171)117(198)152-66-98(177)157-80(36-22-51-146-123(136)137)107(188)156-72(4)104(185)166-88(102(133)183)59-73-28-7-5-8-29-73/h5,7-8,10-11,28-31,63-64,69-72,77,79-95,150,174H,6,9,12-27,32-62,65-68,127-131H2,1-4H3,(H2,132,175)(H2,133,183)(H,144,154)(H,151,186)(H,152,198)(H,153,187)(H,155,176)(H,156,188)(H,157,177)(H,158,193)(H,159,191)(H,160,189)(H,161,196)(H,162,190)(H,163,199)(H,164,192)(H,165,195)(H,166,185)(H,167,197)(H,168,194)(H,169,200)(H,170,184)(H,179,180)(H,181,182)(H4,134,135,145)(H4,136,137,146)(H4,138,139,147)(H4,140,141,148)(H4,142,143,149)/t71-,72-,77-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-/m1/s1 LSXXWLARMXXMGZ-HRQFBLKKSA-N 50612658 CHEMBL5273020 C-X-C chemokine receptor type 4 870 ChEMBL 10.7270/Q2J67N5D 36270088 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50612658 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50612658&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 171346021 494502406 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51530085 CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12 InChI=1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21) WHTVZRBIWZFKQO-UHFFFAOYSA-N 22985 Aralen::CHEMBL76::CHLOROQUINE PHOSPHATE::Chlorochin::Chloroquine::Chloroquine, 17::med.21724, Compound 8::{4-[(7-chloroquinolin-4-yl)amino]pentyl}diethylamine C-X-C chemokine receptor type 4 6500 ChEMBL 10.7270/Q20006C1 30125720 Cheng, B; Yuan, WE; Su, J; Liu, Y; Chen, J Southern Medical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22985 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22985&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 0TX 7ER3,4FGK 2719 49846799 3638 CHEMBL76 DB00608 5535 C07625 ZINC01530861 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51528709 C(NCc1ccccn1)c1ccc(CN2CCCNCCNCCCNCC2)cc1 InChI=1S/C24H38N6/c1-2-13-29-24(5-1)20-28-19-22-6-8-23(9-7-22)21-30-17-4-12-26-15-14-25-10-3-11-27-16-18-30/h1-2,5-9,13,25-28H,3-4,10-12,14-21H2 CWJJHESJXJQCJA-UHFFFAOYSA-N 50270276 CHEMBL477121::N-[1,4,8,11-Tetraazacyclotetradecanyl-1,4-phenylenebis(methylene)]-2-(amino-methyl)pyridine::Pyridin-2-ylmethyl-[4-(1,4,8,11tetraaza-cyclotetradec-1-ylmethyl)-benzyl]-amine C-X-C chemokine receptor type 4 10.0 ChEMBL 10.7270/Q27M0D56 28165741 Arimont, M; Sun, SL; Leurs, R; Smit, M; de Esch, IJP; de Graaf, C Vrije Universiteit Amsterdam http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270276 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270276&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 483559 104115635 CHEMBL477121 ZINC19361903 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51528710 C(CCCN1CCCNCCNCCCNCC1)CCN1CCCNCCNCCCNCC1 InChI=1S/C26H58N8/c1(3-21-33-23-7-13-29-17-15-27-9-5-11-31-19-25-33)2-4-22-34-24-8-14-30-18-16-28-10-6-12-32-20-26-34/h27-32H,1-26H2 IMAJFVRCEJIPKX-UHFFFAOYSA-N 50615200 1,6-Di(1,4,8,11-Tetraazacyclotetradecanyl)Hexane::CHEMBL127188 C-X-C chemokine receptor type 4 2300 ChEMBL 10.7270/Q27M0D56 28165741 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50615200 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50615200&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 454260 494504948 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51528711 C(CN1CCCNCCNCCCNCC1)CN1CCCNCCNCCCNCC1 InChI=1S/C23H52N8/c1-6-24-12-14-26-10-3-18-30(22-16-28-8-1)20-5-21-31-19-4-11-27-15-13-25-7-2-9-29-17-23-31/h24-29H,1-23H2 SCMFKRCYKTYWIW-UHFFFAOYSA-N 50615201 1,3-Di(1,4,8,11-Tetraazacyclotetradecanyl)Propane::CHEMBL28967 C-X-C chemokine receptor type 4 180 ChEMBL 10.7270/Q27M0D56 28165741 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50615201 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50615201&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 453871 494504949 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51528712 C(C[C@H]1CNCCCNCCNCCCN1)CN1CCCNCCNCCCNCC1 InChI=1S/C23H52N8/c1(6-23-22-29-11-3-8-25-14-15-26-10-4-13-30-23)19-31-20-5-12-27-17-16-24-7-2-9-28-18-21-31/h23-30H,1-22H2/t23-/m0/s1 DJJMZDHPUKDYAB-QHCPKHFHSA-N 50615202 CHEMBL5284797 C-X-C chemokine receptor type 4 650 ChEMBL 10.7270/Q27M0D56 28165741 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50615202 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50615202&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 171347398 494504950 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51528713 C(N1CCCNCCNCCCNCC1)c1ccnc(CN2CCCNCCNCCCNCC2)c1 InChI=1S/C27H53N9/c1-6-28-13-15-30-10-3-19-35(21-17-32-8-1)24-26-5-12-34-27(23-26)25-36-20-4-11-31-16-14-29-7-2-9-33-18-22-36/h5,12,23,28-33H,1-4,6-11,13-22,24-25H2 MBOGXJRSJWHMRU-UHFFFAOYSA-N 50615203 CHEMBL277955 C-X-C chemokine receptor type 4 850 ChEMBL 10.7270/Q27M0D56 28165741 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50615203 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50615203&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 9892326 494504951 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51528714 C(N1CCCNCCNCCCNCC1)c1cccc(CN2CCCNCCNCCCNCC2)n1 InChI=1S/C27H53N9/c1-6-26(24-35-20-4-12-30-16-14-28-8-2-10-32-18-22-35)34-27(7-1)25-36-21-5-13-31-17-15-29-9-3-11-33-19-23-36/h1,6-7,28-33H,2-5,8-25H2 BKJDPXSXCZMISN-UHFFFAOYSA-N 50615204 CHEMBL278054 C-X-C chemokine receptor type 4 83 ChEMBL 10.7270/Q27M0D56 28165741 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50615204 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50615204&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 461237 494504952 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51528715 Cc1ccc(CN2CCCNCCNCCCNCC2)cc1 InChI=1S/C18H32N4/c1-17-4-6-18(7-5-17)16-22-14-3-10-20-12-11-19-8-2-9-21-13-15-22/h4-7,19-21H,2-3,8-16H2,1H3 YYKNLRGFDMOOFB-UHFFFAOYSA-N 50035719 1-(4-Methyl-benzyl)-1,4,8,11tetraaza-cyclotetradecane::CHEMBL122226 C-X-C chemokine receptor type 4 170 ChEMBL 10.7270/Q27M0D56 28165741 Arimont, M; Sun, SL; Leurs, R; Smit, M; de Esch, IJP; de Graaf, C Vrije Universiteit Amsterdam http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50035719 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50035719&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 460344 103943664 CHEMBL122226 ZINC22875086 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51528716 C(NCc1ccc(CN2CCCNCCNCCCNCC2)cc1)c1ccccc1 InChI=1S/C25H39N5/c1-2-6-23(7-3-1)20-29-21-24-8-10-25(11-9-24)22-30-18-5-14-27-16-15-26-12-4-13-28-17-19-30/h1-3,6-11,26-29H,4-5,12-22H2 YRMKTQNDPSHONR-UHFFFAOYSA-N 50270277 Benzyl-[4-(1,4,8,11tetraaza-cyclotetradec-1-ylmethyl)-benzyl]-amine::CHEMBL478168::N-[1,4,8,11-Tetraazacyclotetradecanyl-1,4-phenylenebis(methylene)]-benzylamine C-X-C chemokine receptor type 4 1700 ChEMBL 10.7270/Q27M0D56 28165741 Arimont, M; Sun, SL; Leurs, R; Smit, M; de Esch, IJP; de Graaf, C Vrije Universiteit Amsterdam http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270277 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270277&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 483570 104115636 CHEMBL478168 ZINC22877066 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51528717 C1CNCCNCCCNCCNC1 InChI=1S/C10H24N4/c1-3-11-7-9-13-5-2-6-14-10-8-12-4-1/h11-14H,1-10H2 MDAXKAUIABOHTD-UHFFFAOYSA-N 50615205 1,4,8,11Tetraaza-Cyclotetradecane::CHEBI:37401::CHEMBL125150 C-X-C chemokine receptor type 4 13000 ChEMBL 10.7270/Q27M0D56 28165741 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50615205 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50615205&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 64964 494504953 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51528718 NCCCCN(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc12 InChI=1S/C21H27N5/c22-12-3-4-14-26(15-20-24-17-9-1-2-10-18(17)25-20)19-11-5-7-16-8-6-13-23-21(16)19/h1-2,6,8-10,13,19H,3-5,7,11-12,14-15,22H2,(H,24,25)/t19-/m0/s1 WVLHHLRVNDMIAR-IBGZPJMESA-N 50315305 (S)-N-((1H-benzo[d]imidazol-2-yl)methyl)-N-(4-aminobutyl)-5,6,7,8-tetrahydroquinolin-8-amine::(S)-N1-((1H-benzo[d]imidazol-2-yl)methyl)-N1-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine::CHEMBL518924 C-X-C chemokine receptor type 4 23 ChEMBL 10.7270/Q27M0D56 28165741 Arimont, M; Sun, SL; Leurs, R; Smit, M; de Esch, IJP; de Graaf, C Vrije Universiteit Amsterdam http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315305 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315305&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 11256587 104149666 CHEMBL518924 ZINC33359232 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51528719 CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 InChI=1S/C28H45N7/c1-5-16-34(17-6-2)19-8-7-18-32(3)21-25-9-11-26(12-10-25)22-35(23-27-29-13-14-30-27)24-28-31-15-20-33(28)4/h9-15,20H,5-8,16-19,21-24H2,1-4H3,(H,29,30) SHGBVICHXYKTGY-UHFFFAOYSA-N 50335557 CHEMBL1652605::N,N-dipropyl-N'-[4-({[(1H-imidazol-2-yl)methyl][(1-methyl-1H-imidazol-2-yl)methyl]amino}methyl)benzyl]-N'-methylbutane-1,4-diamine tri-(2R,3R)-tartrate C-X-C chemokine receptor type 4 0.610000 ChEMBL 10.7270/Q27M0D56 28165741 Arimont, M; Sun, SL; Leurs, R; Smit, M; de Esch, IJP; de Graaf, C Vrije Universiteit Amsterdam http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50335557 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50335557&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 11950261 125085659 CHEMBL1652605 ZINC64516270 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51528720 C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)c1ccc(CNCc2ccccn2)cc1)c1cccc2ccccc12 InChI=1S/C32H37N7O2/c1-22(27-12-6-9-24-8-2-3-11-28(24)27)38-31(41)29(13-7-19-37-32(33)34)39-30(40)25-16-14-23(15-17-25)20-35-21-26-10-4-5-18-36-26/h2-6,8-12,14-18,22,29,35H,7,13,19-21H2,1H3,(H,38,41)(H,39,40)(H4,33,34,37)/t22-,29-/m0/s1 UYMDKKVILQGGBT-ZTOMLWHTSA-N 50458286 CHEMBL2367715 C-X-C chemokine receptor type 4 8000 ChEMBL 10.7270/Q27M0D56 28165741 Arimont, M; Sun, SL; Leurs, R; Smit, M; de Esch, IJP; de Graaf, C Vrije Universiteit Amsterdam http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50458286 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50458286&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 465968 433925551 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51528721 C(N1CCCNCCNCCCNCC1)c1ccc(CN2CCCNCCNCCCNCC2)cc1 InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2 YIQPUIGJQJDJOS-UHFFFAOYSA-N 50035696 1,1''-{1,4-phenylenebis(methylene)}-bis{1,4,8,11-tetraaza-cyclotetradecane}::1,4,8,11-tetraazacyclotetradecanyl[4-(1,4,8,11-tetraazacyclotetradecanylmethyl)phenyl]methane::1,4,8,11-tetraazacyclotetradecanyl[4-(1,4,8,11-tetraazacyclotetradecanylmethyl)phenyl]methane(8HBr.2H2O)::1,4-bis((1,4,8,11-tetraazacyclotetradecan-1-yl)methyl)benzene::11''-xylyl bis-1,4,8,11-tetraazacyclotetradecane::11-{4-[4,8, 11-1,4,8,11tetraaza-cyclotetradec-1-ylmethyl]-benzyl}-1,4,8,11tetraaza-cyclotetradecane-1,4,8-tricarboxylic acid tri-tert-butyl ester::AMD-3100::CHEMBL18442::CHEMBL2311089::PLERIXAFOR::PLERIXAFOR OCTAHYDROCHLORIDE::US9205085, MSX-162 C-X-C chemokine receptor type 4 0.810000 ChEMBL 10.7270/Q27M0D56 28165741 Arimont, M; Sun, SL; Leurs, R; Smit, M; de Esch, IJP; de Graaf, C Vrije Universiteit Amsterdam http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50035696 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50035696&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search VH6 8U4P 65015 103943663 CHEMBL2311089CHEMBL18442 DB06809 844 ZINC22443609 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51528722 CC1(C)CN2C(CS\C(NC3CCCCC3)=N/C3CCCCC3)=CSC2=N1 InChI=1S/C21H34N4S2/c1-21(2)15-25-18(14-27-20(25)24-21)13-26-19(22-16-9-5-3-6-10-16)23-17-11-7-4-8-12-17/h14,16-17H,3-13,15H2,1-2H3,(H,22,23) OOSUDWRRWZVFEB-UHFFFAOYSA-N 50247128 (6,6-dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)methyl N,N'-dicyclohexylimidothiocarbamate::1,3-dicyclohexyl-2-((6,6-dimethyl-5,6-dihydroimidazo[2,1-b]thiazol-3-yl)methyl)isothiourea::CHEMBL460491 C-X-C chemokine receptor type 4 1.1 ChEMBL 10.7270/Q27M0D56 28165741 Arimont, M; Sun, SL; Leurs, R; Smit, M; de Esch, IJP; de Graaf, C Vrije Universiteit Amsterdam http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50247128 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50247128&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search ITD 3OE6,3OE9,3OE8,3ODU 25147749 104102288 CHEMBL460491 2899 ZINC96319476 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51528732 Cc1ccc(cc1)-c1nc2SCCn2c1\C=N\N=C(N)N InChI=1S/C14H16N6S/c1-9-2-4-10(5-3-9)12-11(8-17-19-13(15)16)20-6-7-21-14(20)18-12/h2-5,8H,6-7H2,1H3,(H4,15,16,19)/b17-8+ OQANTGDLXHMOET-CAOOACKPSA-N 50615208 CHEMBL1195981 C-X-C chemokine receptor type 4 225000 ChEMBL 10.7270/Q27M0D56 28165741 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50615208 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50615208&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 5468549 494504956 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51528733 CN(CC1CCCN(CCc2ccccc2C)C1)Cc1c[nH]c(C)n1 InChI=1S/C21H32N4/c1-17-7-4-5-9-20(17)10-12-25-11-6-8-19(15-25)14-24(3)16-21-13-22-18(2)23-21/h4-5,7,9,13,19H,6,8,10-12,14-16H2,1-3H3,(H,22,23) WWLXBPDKDOVUPW-UHFFFAOYSA-N 50615209 CHEMBL5275177 C-X-C chemokine receptor type 4 300 ChEMBL 10.7270/Q27M0D56 28165741 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50615209 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50615209&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 45231166 494504957 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51528734 Cc1c[nH]c(CN2CCC(CC2)N2CCCC(C2)C(=O)NC2CC2)n1 InChI=1S/C19H31N5O/c1-14-11-20-18(21-14)13-23-9-6-17(7-10-23)24-8-2-3-15(12-24)19(25)22-16-4-5-16/h11,15-17H,2-10,12-13H2,1H3,(H,20,21)(H,22,25) NRMGAFLRCDGOKZ-UHFFFAOYSA-N 50615210 CHEMBL5288597 C-X-C chemokine receptor type 4 25100 ChEMBL 10.7270/Q27M0D56 28165741 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50615210 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50615210&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 45186446 494504958 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51528735 Nc1nc2ccccc2n1CCCCn1c(N)nc2ccccc12 InChI=1S/C18H20N6/c19-17-21-13-7-1-3-9-15(13)23(17)11-5-6-12-24-16-10-4-2-8-14(16)22-18(24)20/h1-4,7-10H,5-6,11-12H2,(H2,19,21)(H2,20,22) SGPHAVYYCSVFLI-UHFFFAOYSA-N 50615211 CHEMBL5288598 C-X-C chemokine receptor type 4 13900 ChEMBL 10.7270/Q27M0D56 28165741 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50615211 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50615211&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 3802539 494504959 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51528736 Oc1cccc(CN(CCN2CCCCC2)CC2CCCN(C2)C2CCCC2)c1 InChI=1S/C20H25N3O2S/c21-17(13-7-2-1-3-8-13)20(25)23-12-6-10-15(23)18(24)19-22-14-9-4-5-11-16(14)26-19/h4-5,9,11,13,15,17H,1-3,6-8,10,12,21H2/t15-,17+/m0/s1 BOGRGBJASHXDLV-DOTOQJQBSA-N 50155311 CHEMBL3781301 C-X-C chemokine receptor type 4 92000 ChEMBL 10.7270/Q27M0D56 28165741 Arimont, M; Sun, SL; Leurs, R; Smit, M; de Esch, IJP; de Graaf, C Vrije Universiteit Amsterdam http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50155311 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50155311&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 45182189 104042754 CHEMBL3781301 ZINC28372547 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51576459 C(N1CCCNCCNCCCNCC1)c1ccc(CN2CCCNCCNCCCNCC2)cc1 InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2 YIQPUIGJQJDJOS-UHFFFAOYSA-N 50035696 1,1''-{1,4-phenylenebis(methylene)}-bis{1,4,8,11-tetraaza-cyclotetradecane}::1,4,8,11-tetraazacyclotetradecanyl[4-(1,4,8,11-tetraazacyclotetradecanylmethyl)phenyl]methane::1,4,8,11-tetraazacyclotetradecanyl[4-(1,4,8,11-tetraazacyclotetradecanylmethyl)phenyl]methane(8HBr.2H2O)::1,4-bis((1,4,8,11-tetraazacyclotetradecan-1-yl)methyl)benzene::11''-xylyl bis-1,4,8,11-tetraazacyclotetradecane::11-{4-[4,8, 11-1,4,8,11tetraaza-cyclotetradec-1-ylmethyl]-benzyl}-1,4,8,11tetraaza-cyclotetradecane-1,4,8-tricarboxylic acid tri-tert-butyl ester::AMD-3100::CHEMBL18442::CHEMBL2311089::PLERIXAFOR::PLERIXAFOR OCTAHYDROCHLORIDE::US9205085, MSX-162 C-X-C chemokine receptor type 4 Homo sapiens 402 ChEMBL 10.1021/acs.jmedchem.3c01128 10.7270/Q24F1W7M 37940118 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50035696 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50035696&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search VH6 8U4P 65015 103943663 CHEMBL2311089CHEMBL18442 DB06809 844 ZINC22443609 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS 8K3Z C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51576460 CC(C)C[C@H](N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(O)=O InChI=1S/C84H144N22O23/c1-41(2)37-51(87)68(113)99-62(43(5)6)77(122)94-54(23-18-34-91-84(89)90)70(115)96-56(39-49-26-28-50(111)29-27-49)73(118)102-65(46(11)108)79(124)95-52(21-14-16-32-85)69(114)92-53(22-15-17-33-86)71(116)101-64(45(9)10)81(126)105-35-19-24-59(105)75(120)93-55(30-31-61(88)112)72(117)100-63(44(7)8)78(123)98-58(40-107)74(119)104-67(48(13)110)82(127)106-36-20-25-60(106)76(121)103-66(47(12)109)80(125)97-57(83(128)129)38-42(3)4/h26-29,41-48,51-60,62-67,107-111H,14-25,30-40,85-87H2,1-13H3,(H2,88,112)(H,92,114)(H,93,120)(H,94,122)(H,95,124)(H,96,115)(H,97,125)(H,98,123)(H,99,113)(H,100,117)(H,101,116)(H,102,118)(H,103,121)(H,104,119)(H,128,129)(H4,89,90,91)/t46-,47-,48-,51+,52+,53+,54+,55+,56+,57+,58+,59+,60+,62+,63+,64+,65+,66+,67+/m1/s1 IWBGWMGGKZBJJF-QQHYOGHPSA-N 50634311 CHEMBL5422551 C-X-C chemokine receptor type 4 Homo sapiens 2604 ChEMBL 10.1021/acs.jmedchem.3c01128 10.7270/Q24F1W7M 37940118 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50634311 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50634311&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS 8K3Z C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51576461 CC[C@H](C)[C@H](N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(O)=O InChI=1S/C64H108N18O15S/c1-9-36(8)48(67)59(92)80-50(34(4)5)60(93)74-42(22-16-26-70-64(68)69)53(86)75-43(28-37-29-71-39-19-11-10-18-38(37)39)55(88)76-44(30-83)56(89)73-40(20-12-14-24-65)52(85)72-41(21-13-15-25-66)54(87)81-51(35(6)7)62(95)82-27-17-23-47(82)58(91)78-46(32-98)57(90)79-49(33(2)3)61(94)77-45(31-84)63(96)97/h10-11,18-19,29,33-36,40-51,71,83-84,98H,9,12-17,20-28,30-32,65-67H2,1-8H3,(H,72,85)(H,73,89)(H,74,93)(H,75,86)(H,76,88)(H,77,94)(H,78,91)(H,79,90)(H,80,92)(H,81,87)(H,96,97)(H4,68,69,70)/t36-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-/m0/s1 WJFVPCFPBPMZCJ-IWQXYIHJSA-N 50634312 CHEMBL5423812 C-X-C chemokine receptor type 4 Homo sapiens 345 ChEMBL 10.1021/acs.jmedchem.3c01128 10.7270/Q24F1W7M 37940118 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50634312 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50634312&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS 8K3Z C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51576462 CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(O)=O InChI=1S/C66H112N20O15S/c1-9-37(8)51(68)61(97)80-44(27-34(2)3)56(92)77-43(21-15-25-74-66(71)72)54(90)79-45(29-38-30-75-40-18-11-10-17-39(38)40)57(93)82-47(31-87)58(94)78-42(20-14-24-73-65(69)70)53(89)76-41(19-12-13-23-67)55(91)81-46(28-35(4)5)63(99)86-26-16-22-50(86)60(96)84-49(33-102)59(95)85-52(36(6)7)62(98)83-48(32-88)64(100)101/h10-11,17-18,30,34-37,41-52,75,87-88,102H,9,12-16,19-29,31-33,67-68H2,1-8H3,(H,76,89)(H,77,92)(H,78,94)(H,79,90)(H,80,97)(H,81,91)(H,82,93)(H,83,98)(H,84,96)(H,85,95)(H,100,101)(H4,69,70,73)(H4,71,72,74)/t37-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-/m0/s1 SOMPBPFAUOADFJ-DZAMUJKTSA-N 50634313 CHEMBL5408315 C-X-C chemokine receptor type 4 Homo sapiens 298 ChEMBL 10.1021/acs.jmedchem.3c01128 10.7270/Q24F1W7M 37940118 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50634313 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50634313&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS 8K3Z C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51576463 CSCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(O)=O InChI=1S/C64H106N20O17S2/c1-33(2)26-43(78-56(94)45(29-85)73-35(5)88)54(92)75-41(18-12-23-71-64(68)69)53(91)79-44(27-36-28-72-38-15-8-7-14-37(36)38)55(93)80-46(30-86)57(95)76-40(17-11-22-70-63(66)67)51(89)74-39(16-9-10-21-65)52(90)77-42(20-25-103-6)61(99)84-24-13-19-49(84)59(97)82-48(32-102)58(96)83-50(34(3)4)60(98)81-47(31-87)62(100)101/h7-8,14-15,28,33-34,39-50,72,85-87,102H,9-13,16-27,29-32,65H2,1-6H3,(H,73,88)(H,74,89)(H,75,92)(H,76,95)(H,77,90)(H,78,94)(H,79,91)(H,80,93)(H,81,98)(H,82,97)(H,83,96)(H,100,101)(H4,66,67,70)(H4,68,69,71)/t39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1 VQVNHQDZLDIGJH-OBCMTGTFSA-N 50634314 CHEMBL5435575 C-X-C chemokine receptor type 4 Homo sapiens 16296 ChEMBL 10.1021/acs.jmedchem.3c01128 10.7270/Q24F1W7M 37940118 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50634314 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50634314&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS 8K3Z C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51576464 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37940118 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50634313 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50634313&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS 8K3Z C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51576494 CC[C@@H](C)[C@@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(N)=O InChI=1S/C44H76N16O8/c1-5-25(4)35(46)42(68)59-32(20-24(2)3)39(65)56-31(16-11-19-53-44(50)51)38(64)58-33(21-26-22-54-28-13-7-6-12-27(26)28)40(66)60-34(23-61)41(67)57-30(15-10-18-52-43(48)49)37(63)55-29(36(47)62)14-8-9-17-45/h6-7,12-13,22,24-25,29-35,54,61H,5,8-11,14-21,23,45-46H2,1-4H3,(H2,47,62)(H,55,63)(H,56,65)(H,57,67)(H,58,64)(H,59,68)(H,60,66)(H4,48,49,52)(H4,50,51,53)/t25-,29+,30+,31+,32+,33+,34+,35-/m1/s1 WAPLBXQJQBSWSA-IJHMEDHPSA-N 50634340 CHEMBL5429594 C-X-C chemokine receptor type 4 Homo sapiens 154 ChEMBL 10.1021/acs.jmedchem.3c01128 10.7270/Q24F1W7M 37940118 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50634340 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50634340&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS 8K3Z C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51576495 CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(O)=O InChI=1S/C66H112N20O15S/c1-9-37(8)51(68)61(97)80-44(27-34(2)3)56(92)77-43(21-15-25-74-66(71)72)54(90)79-45(29-38-30-75-40-18-11-10-17-39(38)40)57(93)82-47(31-87)58(94)78-42(20-14-24-73-65(69)70)53(89)76-41(19-12-13-23-67)55(91)81-46(28-35(4)5)63(99)86-26-16-22-50(86)60(96)84-49(33-102)59(95)85-52(36(6)7)62(98)83-48(32-88)64(100)101/h10-11,17-18,30,34-37,41-52,75,87-88,102H,9,12-16,19-29,31-33,67-68H2,1-8H3,(H,76,89)(H,77,92)(H,78,94)(H,79,90)(H,80,97)(H,81,91)(H,82,93)(H,83,98)(H,84,96)(H,85,95)(H,100,101)(H4,69,70,73)(H4,71,72,74)/t37-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-/m0/s1 SOMPBPFAUOADFJ-DZAMUJKTSA-N 50634313 CHEMBL5408315 C-X-C chemokine receptor type 4 Homo sapiens 1591 ChEMBL 10.1021/acs.jmedchem.3c01128 10.7270/Q24F1W7M 37940118 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50634313 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50634313&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS 8K3Z C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 51576496 CC[C@@H](C)[C@@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(N)=O InChI=1S/C44H76N16O8/c1-5-25(4)35(46)42(68)59-32(20-24(2)3)39(65)56-31(16-11-19-53-44(50)51)38(64)58-33(21-26-22-54-28-13-7-6-12-27(26)28)40(66)60-34(23-61)41(67)57-30(15-10-18-52-43(48)49)37(63)55-29(36(47)62)14-8-9-17-45/h6-7,12-13,22,24-25,29-35,54,61H,5,8-11,14-21,23,45-46H2,1-4H3,(H2,47,62)(H,55,63)(H,56,65)(H,57,67)(H,58,64)(H,59,68)(H,60,66)(H4,48,49,52)(H4,50,51,53)/t25-,29+,30+,31+,32+,33+,34+,35-/m1/s1 WAPLBXQJQBSWSA-IJHMEDHPSA-N 50634340 CHEMBL5429594 C-X-C chemokine receptor type 4 Homo sapiens 163 ChEMBL 10.1021/acs.jmedchem.3c01128 10.7270/Q24F1W7M 37940118 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50634340 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50634340&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS 8K3Z C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 1442482 C[C@H]1N(CCCCCCNC(N)=N)C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O InChI=1S/C40H55N11O6/c1-25-35(54)49-31(11-8-19-46-40(43)44)37(56)50-32(23-27-12-15-28-9-4-5-10-29(28)21-27)36(55)47-24-34(53)48-33(22-26-13-16-30(52)17-14-26)38(57)51(25)20-7-3-2-6-18-45-39(41)42/h4-5,9-10,12-17,21,25,31-33,52H,2-3,6-8,11,18-20,22-24H2,1H3,(H,47,55)(H,48,53)(H,49,54)(H,50,56)(H4,41,42,45)(H4,43,44,46)/t25-,31+,32+,33-/m1/s1 JPGQIWFPVMCFHK-JMHOIKKCSA-N 694486 CPCR4.3::US20240293587, Compound R C-X-C chemokine receptor type 4 Homo sapiens 0.800 US Patent 10.7270/Q2WH2VBF US20240293587 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=694486 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=694486&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS 8K3Z C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 1442483 C[C@H]1N(CCCCCCNC(=N)NCCNC(C)=O)C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O InChI=1S/C44H62N12O7/c1-28-39(60)54-35(12-9-20-49-43(45)46)41(62)55-36(26-31-13-16-32-10-5-6-11-33(32)24-31)40(61)52-27-38(59)53-37(25-30-14-17-34(58)18-15-30)42(63)56(28)23-8-4-3-7-19-50-44(47)51-22-21-48-29(2)57/h5-6,10-11,13-18,24,28,35-37,58H,3-4,7-9,12,19-23,25-27H2,1-2H3,(H,48,57)(H,52,61)(H,53,59)(H,54,60)(H,55,62)(H4,45,46,49)(H3,47,50,51)/t28-,35+,36+,37-/m1/s1 QHTUSKUIZPKJIC-DHSDEQCUSA-N 694497 US20240293587, Compound P1::c(y-(NHex-Gua-Et-Ac)a-R-Nal-G) C-X-C chemokine receptor type 4 Homo sapiens 3.10 US Patent 10.7270/Q2WH2VBF US20240293587 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=694497 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=694497&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS 8K3Z C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 1442484 C[C@H]1N(CCCCCCNC(=N)NCCCNC(C)=O)C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O InChI=1S/C45H64N12O7/c1-29-40(61)55-36(13-9-21-50-44(46)47)42(63)56-37(27-32-14-17-33-11-5-6-12-34(33)25-32)41(62)53-28-39(60)54-38(26-31-15-18-35(59)19-16-31)43(64)57(29)24-8-4-3-7-20-51-45(48)52-23-10-22-49-30(2)58/h5-6,11-12,14-19,25,29,36-38,59H,3-4,7-10,13,20-24,26-28H2,1-2H3,(H,49,58)(H,53,62)(H,54,60)(H,55,61)(H,56,63)(H4,46,47,50)(H3,48,51,52)/t29-,36+,37+,38-/m1/s1 QPHVEKILUXHDTC-IIAGFODCSA-N 694498 US20240293587, Compound P2::c(y-(NHex-Gua-Prop-Ac)a-R-Nal-G) C-X-C chemokine receptor type 4 Homo sapiens 1.70 US Patent 10.7270/Q2WH2VBF US20240293587 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=694498 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=694498&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS 8K3Z C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 1442485 CN1CCOc2ccc(c(F)c2)C(=O)NCc2ccc(F)c(c2)C(=O)N[C@@H](CC(C)(C)C)C(=O)Nc2ccc(CCN(C)C(=O)CC(C)(C)CC1=O)cc2 InChI=1S/C41H51F2N5O6/c1-40(2,3)22-34-39(53)45-28-11-8-26(9-12-28)16-17-47(6)35(49)23-41(4,5)24-36(50)48(7)18-19-54-29-13-14-30(33(43)21-29)37(51)44-25-27-10-15-32(42)31(20-27)38(52)46-34/h8-15,20-21,34H,16-19,22-25H2,1-7H3,(H,44,51)(H,45,53)(H,46,52)/t34-/m0/s1 LGEIHKKMICVKAE-UMSFTDKQSA-N 694499 US20240293587, Compound P3::US20240294467, Compound 11A::c(y-(NHex-Gua-But-Ac)a-R-Nal-G) C-X-C chemokine receptor type 4 Homo sapiens 2.10 US Patent 10.7270/Q2WH2VBF US20240293587 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=694499 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=694499&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS 8K3Z C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 1442486 C[C@H]1N(CCCCCCNC(=N)NCCCCCNC(C)=O)C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O InChI=1S/C47H68N12O7/c1-31-42(63)57-38(15-12-25-52-46(48)49)44(65)58-39(29-34-16-19-35-13-6-7-14-36(35)27-34)43(64)55-30-41(62)56-40(28-33-17-20-37(61)21-18-33)45(66)59(31)26-11-4-3-8-23-53-47(50)54-24-10-5-9-22-51-32(2)60/h6-7,13-14,16-21,27,31,38-40,61H,3-5,8-12,15,22-26,28-30H2,1-2H3,(H,51,60)(H,55,64)(H,56,62)(H,57,63)(H,58,65)(H4,48,49,52)(H3,50,53,54)/t31-,38+,39+,40-/m1/s1 HCSNLNRWIKCTCY-WLCHKKNBSA-N 694500 US20240293587, Compound P4::c(y-(NHex-Gua-Pent-Ac)a-R-Nal-G) C-X-C chemokine receptor type 4 Homo sapiens 32.1 US Patent 10.7270/Q2WH2VBF US20240293587 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=694500 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=694500&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS 8K3Z C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 1442487 C[C@H]1N(CCCCCCNC(=N)NCCCCCCNC(C)=O)C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O InChI=1S/C48H70N12O7/c1-32-43(64)58-39(16-13-26-53-47(49)50)45(66)59-40(30-35-17-20-36-14-7-8-15-37(36)28-35)44(65)56-31-42(63)57-41(29-34-18-21-38(62)22-19-34)46(67)60(32)27-12-6-5-11-25-55-48(51)54-24-10-4-3-9-23-52-33(2)61/h7-8,14-15,17-22,28,32,39-41,62H,3-6,9-13,16,23-27,29-31H2,1-2H3,(H,52,61)(H,56,65)(H,57,63)(H,58,64)(H,59,66)(H4,49,50,53)(H3,51,54,55)/t32-,39+,40+,41-/m1/s1 XKBNPSQODTWVRA-ADFKUXGFSA-N 694501 US20240293587, Compound P5::c(y-(NHex-Gua-Hex-Ac)a-R-Nal-G) C-X-C chemokine receptor type 4 Homo sapiens 9.80 US Patent 10.7270/Q2WH2VBF US20240293587 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=694501 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=694501&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS 8K3Z C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 1442488 C[C@H]1N(CCCCCCNC(=N)NCCCCC#C)C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O InChI=1S/C46H63N11O6/c1-3-4-5-10-23-51-46(49)52-24-11-6-7-12-26-57-31(2)41(60)55-37(16-13-25-50-45(47)48)43(62)56-38(29-33-17-20-34-14-8-9-15-35(34)27-33)42(61)53-30-40(59)54-39(44(57)63)28-32-18-21-36(58)22-19-32/h1,8-9,14-15,17-22,27,31,37-39,58H,4-7,10-13,16,23-26,28-30H2,2H3,(H,53,61)(H,54,59)(H,55,60)(H,56,62)(H4,47,48,50)(H3,49,51,52)/t31-,37+,38+,39-/m1/s1 DOHQLKXAYVGWND-OCZSTARJSA-N 694502 US20240293587, Compound P6::c(y-(NHex-Gua-Hexin)a-R-Nal-G) C-X-C chemokine receptor type 4 Homo sapiens 3.20 US Patent 10.7270/Q2WH2VBF US20240293587 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=694502 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=694502&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS 8K3Z C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 1442489 C[C@H]1N(CCCCCCNC(=N)NC(C)=O)C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O InChI=1S/C42H57N11O7/c1-26-37(57)51-33(12-9-20-46-41(43)44)39(59)52-34(24-29-13-16-30-10-5-6-11-31(30)22-29)38(58)48-25-36(56)50-35(23-28-14-17-32(55)18-15-28)40(60)53(26)21-8-4-3-7-19-47-42(45)49-27(2)54/h5-6,10-11,13-18,22,26,33-35,55H,3-4,7-9,12,19-21,23-25H2,1-2H3,(H,48,58)(H,50,56)(H,51,57)(H,52,59)(H4,43,44,46)(H3,45,47,49,54)/t26-,33+,34+,35-/m1/s1 XUVCJUSUFMKQDK-QWSTUSORSA-N 694503 US20240293587, Compound P7::c(y-(NHex-Gua-Ac)a-R-Nal-G) C-X-C chemokine receptor type 4 Homo sapiens 2.50 US Patent 10.7270/Q2WH2VBF US20240293587 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=694503 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=694503&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS 8K3Z C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 1442490 C[C@H]1N(CCCCCCNC(=N)NC(=O)CNC(C)=O)C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O InChI=1S/C44H60N12O8/c1-27-39(61)53-34(12-9-20-48-43(45)46)41(63)54-35(24-30-13-16-31-10-5-6-11-32(31)22-30)40(62)51-26-37(59)52-36(23-29-14-17-33(58)18-15-29)42(64)56(27)21-8-4-3-7-19-49-44(47)55-38(60)25-50-28(2)57/h5-6,10-11,13-18,22,27,34-36,58H,3-4,7-9,12,19-21,23-26H2,1-2H3,(H,50,57)(H,51,62)(H,52,59)(H,53,61)(H,54,63)(H4,45,46,48)(H3,47,49,55,60)/t27-,34+,35+,36-/m1/s1 FSVWGQUAOFOYGH-YTWPYTFBSA-N 694504 US20240293587, Compound P8::c(y-(NHex-Gua-Gly-Ac)a-R-Nal-G) C-X-C chemokine receptor type 4 Homo sapiens 13.2 US Patent 10.7270/Q2WH2VBF US20240293587 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=694504 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=694504&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS 8K3Z C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 1442491 C[C@H]1N(CCCCCCNC(=N)NC(=O)CCCCCNC(C)=O)C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O InChI=1S/C48H68N12O8/c1-31-43(65)57-38(15-12-25-53-47(49)50)45(67)58-39(29-34-17-20-35-13-7-8-14-36(35)27-34)44(66)55-30-42(64)56-40(28-33-18-21-37(62)22-19-33)46(68)60(31)26-11-4-3-9-24-54-48(51)59-41(63)16-6-5-10-23-52-32(2)61/h7-8,13-14,17-22,27,31,38-40,62H,3-6,9-12,15-16,23-26,28-30H2,1-2H3,(H,52,61)(H,55,66)(H,56,64)(H,57,65)(H,58,67)(H4,49,50,53)(H3,51,54,59,63)/t31-,38+,39+,40-/m1/s1 PPHNWQAZFDGPTJ-WLCHKKNBSA-N 694505 US20240293587, Compound P9::c(y-(NHex-Gua-Ahx-Ac)a-R-Nal-G) C-X-C chemokine receptor type 4 Homo sapiens 78.7 US Patent 10.7270/Q2WH2VBF US20240293587 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=694505 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=694505&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS 8K3Z C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 1442492 C[C@H]1N(CCCCCCNC(=N)NC(=O)CCC#C)C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O InChI=1S/C45H59N11O7/c1-3-4-15-38(58)55-45(48)50-22-9-5-6-10-24-56-29(2)40(60)53-35(14-11-23-49-44(46)47)42(62)54-36(27-31-16-19-32-12-7-8-13-33(32)25-31)41(61)51-28-39(59)52-37(43(56)63)26-30-17-20-34(57)21-18-30/h1,7-8,12-13,16-21,25,29,35-37,57H,4-6,9-11,14-15,22-24,26-28H2,2H3,(H,51,61)(H,52,59)(H,53,60)(H,54,62)(H4,46,47,49)(H3,48,50,55,58)/t29-,35+,36+,37-/m1/s1 ZPCKZUKKXYXHBC-IBPKIYAISA-N 694506 US20240293587, Compound P10::c(y-(NHex-Gua-Pentinoic acid)a-R-Nal-G) C-X-C chemokine receptor type 4 Homo sapiens 2.00 US Patent 10.7270/Q2WH2VBF US20240293587 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=694506 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=694506&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS 8K3Z C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 1442493 C[C@H]1N(CCCCCCNC(=N)NCCCCCCNC(=O)CCOCCOCCOCCOCCNC(=O)CCCCC[N+]2=C(\C=C\C\C=C3\[NH+](C)c4ccc(cc4C3(C)C)S([O-])(=O)=O)C(C)(C)c3cc(ccc23)S([O-])(=O)=O)C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O InChI=1S/C88H125N15O18S2/c1-61-81(108)99-71(25-22-43-94-85(89)90)83(110)100-72(57-63-29-32-64-23-13-14-24-65(64)55-63)82(109)97-60-80(107)98-73(56-62-30-33-66(104)34-31-62)84(111)102(61)45-20-10-9-19-42-96-86(91)95-41-18-8-7-17-40-92-79(106)39-47-118-49-51-120-53-54-121-52-50-119-48-44-93-78(105)28-12-11-21-46-103-75-38-36-68(123(115,116)117)59-70(75)88(4,5)77(103)27-16-15-26-76-87(2,3)69-58-67(122(112,113)114)35-37-74(69)101(76)6/h13-14,16,23-24,26-27,29-38,55,58-59,61,71-73H,7-12,15,17-22,25,28,39-54,56-57,60H2,1-6H3,(H15-,89,90,91,92,93,94,95,96,97,98,99,100,104,105,106,107,108,109,110,112,113,114,115,116,117)/b27-16+,76-26+/t61-,71+,72+,73-/m1/s1 IGFVWFNUPPJRBC-MUKBBWOOSA-N 694507 Sulfo2-Cy5-PEG4-Hex-CPCR4.3::US20240293587, Compound P5g C-X-C chemokine receptor type 4 Homo sapiens 40.0 US Patent 10.7270/Q2WH2VBF US20240293587 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=694507 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=694507&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS 8K3Z C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 1442494 C[C@H]1N(CCCCCCNC(=N)NCCCCCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCP(O)(O)=O)C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O InChI=1S/C61H95N14O12P/c1-43-56(81)73-49(21-18-36-68-60(62)63)58(83)74-50(41-45-24-27-46-19-10-11-20-47(46)39-45)57(82)71-42-55(80)72-51(40-44-25-28-48(76)29-26-44)59(84)75(43)37-17-5-4-14-35-70-61(64)69-34-13-3-2-12-31-65-52(77)22-8-6-15-32-66-53(78)23-9-7-16-33-67-54(79)30-38-88(85,86)87/h10-11,19-20,24-29,39,43,49-51,76H,2-9,12-18,21-23,30-38,40-42H2,1H3,(H,65,77)(H,66,78)(H,67,79)(H,71,82)(H,72,80)(H,73,81)(H,74,83)(H4,62,63,68)(H3,64,69,70)(H2,85,86,87)/t43-,49+,50+,51-/m1/s1 AVINQLVKNXAWKB-IICNJBLBSA-N 694508 Phosphonate-Ahx2-Hex-CPCR4.3 ::US20240293587, Compound P5k C-X-C chemokine receptor type 4 Homo sapiens 90.0 US Patent 10.7270/Q2WH2VBF US20240293587 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=694508 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=694508&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS 8K3Z C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 1442495 C[C@H]1N(CCCCCCNC(=N)NCCCCCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CCP(O)(O)=O)C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O InChI=1S/C61H95N14O16P/c1-43-56(81)73-49(15-12-26-68-60(62)63)58(83)74-50(39-45-16-19-46-13-6-7-14-47(46)37-45)57(82)71-40-53(78)72-51(38-44-17-20-48(76)21-18-44)59(84)75(43)29-11-5-4-10-25-70-61(64)69-24-9-3-2-8-23-65-54(79)41-90-34-33-89-31-28-67-55(80)42-91-35-32-88-30-27-66-52(77)22-36-92(85,86)87/h6-7,13-14,16-21,37,43,49-51,76H,2-5,8-12,15,22-36,38-42H2,1H3,(H,65,79)(H,66,77)(H,67,80)(H,71,82)(H,72,78)(H,73,81)(H,74,83)(H4,62,63,68)(H3,64,69,70)(H2,85,86,87)/t43-,49+,50+,51-/m1/s1 UDHASPPTBUNORG-IICNJBLBSA-N 694509 Phosphonate-(O2Oc)2Hex-CPCR4.3::US20240293587, Compound P5m C-X-C chemokine receptor type 4 Homo sapiens 52.0 US Patent 10.7270/Q2WH2VBF US20240293587 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=694509 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=694509&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS 8K3Z C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 1442496 C[C@H]1N(CCCCCCNC(=N)NCCCCCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CCP(O)([O-])=O)C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O InChI=1S/C61H95N14O16P/c1-43-56(81)73-49(15-12-26-68-60(62)63)58(83)74-50(39-45-16-19-46-13-6-7-14-47(46)37-45)57(82)71-40-53(78)72-51(38-44-17-20-48(76)21-18-44)59(84)75(43)29-11-5-4-10-25-70-61(64)69-24-9-3-2-8-23-65-54(79)41-90-34-33-89-31-28-67-55(80)42-91-35-32-88-30-27-66-52(77)22-36-92(85,86)87/h6-7,13-14,16-21,37,43,49-51,76H,2-5,8-12,15,22-36,38-42H2,1H3,(H,65,79)(H,66,77)(H,67,80)(H,71,82)(H,72,78)(H,73,81)(H,74,83)(H4,62,63,68)(H3,64,69,70)(H2,85,86,87)/p-1/t43-,49+,50+,51-/m1/s1 UDHASPPTBUNORG-IICNJBLBSA-M 694510 US20240293587, Compound P5-QD::US20240293587, Compound Pc5-QD C-X-C chemokine receptor type 4 Homo sapiens 7.70 US Patent 10.7270/Q2WH2VBF US20240293587 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=694510 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=694510&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS 8K3Z C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 1442497 C[C@H]1N(CCCCCCNC(N)=N)C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CS)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O InChI=1S/C41H57N11O6S/c1-25-35(54)48-31(11-8-19-47-41(44)45)36(55)49-32(23-27-12-15-28-9-4-5-10-29(28)21-27)37(56)51-34(24-59)38(57)50-33(22-26-13-16-30(53)17-14-26)39(58)52(25)20-7-3-2-6-18-46-40(42)43/h4-5,9-10,12-17,21,25,31-34,53,59H,2-3,6-8,11,18-20,22-24H2,1H3,(H,48,54)(H,49,55)(H,50,57)(H,51,56)(H4,42,43,46)(H4,44,45,47)/t25-,31+,32+,33-,34-/m1/s1 QVDPZNKPYODMDD-LVLVAWRASA-N 694511 US20240293587, Compound Pc0 C-X-C chemokine receptor type 4 Homo sapiens 35.0 US Patent 10.7270/Q2WH2VBF US20240293587 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=694511 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=694511&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS 8K3Z C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 1442498 C[C@H]1N(CCCCCCNC(N)=N)C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CSCC(=O)NCCCCC(NC(C)=O)C(N)=O)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O InChI=1S/C51H74N14O9S/c1-31-45(70)61-39(15-11-24-59-51(55)56)46(71)62-40(28-34-16-19-35-12-5-6-13-36(35)26-34)47(72)64-42(29-75-30-43(68)57-22-9-7-14-38(44(52)69)60-32(2)66)48(73)63-41(27-33-17-20-37(67)21-18-33)49(74)65(31)25-10-4-3-8-23-58-50(53)54/h5-6,12-13,16-21,26,31,38-42,67H,3-4,7-11,14-15,22-25,27-30H2,1-2H3,(H2,52,69)(H,57,68)(H,60,66)(H,61,70)(H,62,71)(H,63,73)(H,64,72)(H4,53,54,58)(H4,55,56,59)/t31-,38?,39+,40+,41-,42-/m1/s1 ZZYOJWPDHXADFR-SNMUVDRCSA-N 694512 US20240293587, Compound Pc1 C-X-C chemokine receptor type 4 Homo sapiens 61.0 US Patent 10.7270/Q2WH2VBF US20240293587 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=694512 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=694512&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS 8K3Z C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 1442499 C[C@H]1N(CCCCCCNC(N)=N)C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CSCC(=O)NCCCCCCNC(C)=O)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O InChI=1S/C51H75N13O8S/c1-33-45(68)60-40(16-13-26-59-51(54)55)46(69)61-41(30-36-17-20-37-14-7-8-15-38(37)28-36)47(70)63-43(31-73-32-44(67)57-24-10-4-3-9-23-56-34(2)65)48(71)62-42(29-35-18-21-39(66)22-19-35)49(72)64(33)27-12-6-5-11-25-58-50(52)53/h7-8,14-15,17-22,28,33,40-43,66H,3-6,9-13,16,23-27,29-32H2,1-2H3,(H,56,65)(H,57,67)(H,60,68)(H,61,69)(H,62,71)(H,63,70)(H4,52,53,58)(H4,54,55,59)/t33-,40+,41+,42-,43-/m1/s1 NXJWRNHPXKKBLD-ICOMTMJVSA-N 694513 US20240293587, Compound Pc2 C-X-C chemokine receptor type 4 Homo sapiens 57.0 US Patent 10.7270/Q2WH2VBF US20240293587 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=694513 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=694513&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS 8K3Z C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 1442500 C[C@H]1N(CCCCCCNC(N)=N)C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CSCCCCCCNC(C)=O)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O InChI=1S/C49H72N12O7S/c1-32-43(64)57-39(16-13-25-56-49(52)53)44(65)58-40(30-35-17-20-36-14-7-8-15-37(36)28-35)45(66)60-42(31-69-27-12-6-4-9-23-54-33(2)62)46(67)59-41(29-34-18-21-38(63)22-19-34)47(68)61(32)26-11-5-3-10-24-55-48(50)51/h7-8,14-15,17-22,28,32,39-42,63H,3-6,9-13,16,23-27,29-31H2,1-2H3,(H,54,62)(H,57,64)(H,58,65)(H,59,67)(H,60,66)(H4,50,51,55)(H4,52,53,56)/t32-,39+,40+,41-,42-/m1/s1 VUJYLCCLFRPMSV-DVACLSHASA-N 694514 US20240293587, Compound Pc3 C-X-C chemokine receptor type 4 Homo sapiens >400 US Patent 10.7270/Q2WH2VBF US20240293587 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=694514 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=694514&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS 8K3Z C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 1442501 C[C@H]1N(CCCCCCNC(N)=N)C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CSCC(=O)NCc2ccc(CNC(C)=O)cc2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O InChI=1S/C53H71N13O8S/c1-33-47(70)62-42(12-9-24-59-53(56)57)48(71)63-43(28-38-17-20-39-10-5-6-11-40(39)26-38)49(72)65-45(31-75-32-46(69)61-30-37-15-13-36(14-16-37)29-60-34(2)67)50(73)64-44(27-35-18-21-41(68)22-19-35)51(74)66(33)25-8-4-3-7-23-58-52(54)55/h5-6,10-11,13-22,26,33,42-45,68H,3-4,7-9,12,23-25,27-32H2,1-2H3,(H,60,67)(H,61,69)(H,62,70)(H,63,71)(H,64,73)(H,65,72)(H4,54,55,58)(H4,56,57,59)/t33-,42+,43+,44-,45-/m1/s1 TVILQFZGXHLPOO-BTXQGPLZSA-N 694515 US20240293587, Compound Pc4 C-X-C chemokine receptor type 4 Homo sapiens 53.0 US Patent 10.7270/Q2WH2VBF US20240293587 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=694515 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=694515&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS 8K3Z C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 1442502 C[C@H]1N(CCCCCCNC(N)=N)C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CSCC(=O)NCc2cccc(CNC(C)=O)c2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O InChI=1S/C53H71N13O8S/c1-33-47(70)62-42(15-10-23-59-53(56)57)48(71)63-43(28-36-16-19-39-13-5-6-14-40(39)26-36)49(72)65-45(31-75-32-46(69)61-30-38-12-9-11-37(25-38)29-60-34(2)67)50(73)64-44(27-35-17-20-41(68)21-18-35)51(74)66(33)24-8-4-3-7-22-58-52(54)55/h5-6,9,11-14,16-21,25-26,33,42-45,68H,3-4,7-8,10,15,22-24,27-32H2,1-2H3,(H,60,67)(H,61,69)(H,62,70)(H,63,71)(H,64,73)(H,65,72)(H4,54,55,58)(H4,56,57,59)/t33-,42+,43+,44-,45-/m1/s1 VBSZCURXVKYGNN-BTXQGPLZSA-N 694516 US20240293587, Compound Pc5 C-X-C chemokine receptor type 4 Homo sapiens 14.0 US Patent 10.7270/Q2WH2VBF US20240293587 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=694516 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=694516&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS 8K3Z C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 1442503 C[C@H]1N(CCCCCCNC(N)=N)C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CSCC(=O)NCc2cccc(CNC(=O)CN3CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC3)c2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O InChI=1S/C67H95N17O14S/c1-44-61(94)76-52(14-9-22-73-67(70)71)62(95)77-53(35-46-15-18-49-12-4-5-13-50(49)33-46)63(96)79-55(64(97)78-54(34-45-16-19-51(85)20-17-45)65(98)84(44)23-7-3-2-6-21-72-66(68)69)42-99-43-57(87)75-37-48-11-8-10-47(32-48)36-74-56(86)38-80-24-26-81(39-58(88)89)28-30-83(41-60(92)93)31-29-82(27-25-80)40-59(90)91/h4-5,8,10-13,15-20,32-33,44,52-55,85H,2-3,6-7,9,14,21-31,34-43H2,1H3,(H,74,86)(H,75,87)(H,76,94)(H,77,95)(H,78,97)(H,79,96)(H,88,89)(H,90,91)(H,92,93)(H4,68,69,72)(H4,70,71,73)/t44-,52+,53+,54-,55-/m1/s1 FMZWDYPNOVZPMR-VOHMZENMSA-N 694517 US20240293587, Compound Pc5a C-X-C chemokine receptor type 4 Homo sapiens 78.0 US Patent 10.7270/Q2WH2VBF US20240293587 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=694517 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=694517&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS 8K3Z C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 1442504 C[C@H]1N(CCCCCCNC(N)=N)C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CSCC(=O)NCc2cccc(CNC(=O)C[N+]34CC[N+]5(CC(O)=O)CC[N+]6(CC(O)=O)CC[N+](CC(O)=O)(CC3)[Ga-]456)c2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O InChI=1S/C67H95N17O14S.Ga/c1-44-61(94)76-52(14-9-22-73-67(70)71)62(95)77-53(35-46-15-18-49-12-4-5-13-50(49)33-46)63(96)79-55(64(97)78-54(34-45-16-19-51(85)20-17-45)65(98)84(44)23-7-3-2-6-21-72-66(68)69)42-99-43-57(87)75-37-48-11-8-10-47(32-48)36-74-56(86)38-80-24-26-81(39-58(88)89)28-30-83(41-60(92)93)31-29-82(27-25-80)40-59(90)91;/h4-5,8,10-13,15-20,32-33,44,52-55,85H,2-3,6-7,9,14,21-31,34-43H2,1H3,(H,74,86)(H,75,87)(H,76,94)(H,77,95)(H,78,97)(H,79,96)(H,88,89)(H,90,91)(H,92,93)(H4,68,69,72)(H4,70,71,73);/q;+3/t44-,52+,53+,54-,55-;/m1./s1 ARVUFVFSLXVMCM-DHOSLWHNSA-N 694518 US20240293587, Compound Pc5b C-X-C chemokine receptor type 4 Homo sapiens 31.0 US Patent 10.7270/Q2WH2VBF US20240293587 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=694518 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=694518&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS 8K3Z C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 1442505 C[C@H]1N(CCCCCCNC(N)=N)C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CSCC(=O)NCc2cccc(CNC(=O)C[N+]34CC[N+]5(CC(O)=O)CC[N+]6(CC(O)=O)CC[N+](CC(O)=O)(CC3)[Lu]456)c2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O InChI=1S/C67H95N17O14S.Lu/c1-44-61(94)76-52(14-9-22-73-67(70)71)62(95)77-53(35-46-15-18-49-12-4-5-13-50(49)33-46)63(96)79-55(64(97)78-54(34-45-16-19-51(85)20-17-45)65(98)84(44)23-7-3-2-6-21-72-66(68)69)42-99-43-57(87)75-37-48-11-8-10-47(32-48)36-74-56(86)38-80-24-26-81(39-58(88)89)28-30-83(41-60(92)93)31-29-82(27-25-80)40-59(90)91;/h4-5,8,10-13,15-20,32-33,44,52-55,85H,2-3,6-7,9,14,21-31,34-43H2,1H3,(H,74,86)(H,75,87)(H,76,94)(H,77,95)(H,78,97)(H,79,96)(H,88,89)(H,90,91)(H,92,93)(H4,68,69,72)(H4,70,71,73);/q;+4/t44-,52+,53+,54-,55-;/m1./s1 QDMMHBUKNXWXJS-DHOSLWHNSA-N 694519 US20240293587, Compound P5c::US20240293587, Compound Pc5c C-X-C chemokine receptor type 4 Homo sapiens 51.0 US Patent 10.7270/Q2WH2VBF US20240293587 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=694519 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=694519&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS 8K3Z C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 1442506 C[C@H]1N(CCCCCCNC(N)=N)C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CSCC(=O)NCc2cccc(CNC(=O)C[N+]34CC[N+]5(CC(O)=O)CC[N+]6(CC(O)=O)CC[N+](CC(O)=O)(CC3)[Cu]456)c2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O InChI=1S/C67H95N17O14S.Cu/c1-44-61(94)76-52(14-9-22-73-67(70)71)62(95)77-53(35-46-15-18-49-12-4-5-13-50(49)33-46)63(96)79-55(64(97)78-54(34-45-16-19-51(85)20-17-45)65(98)84(44)23-7-3-2-6-21-72-66(68)69)42-99-43-57(87)75-37-48-11-8-10-47(32-48)36-74-56(86)38-80-24-26-81(39-58(88)89)28-30-83(41-60(92)93)31-29-82(27-25-80)40-59(90)91;/h4-5,8,10-13,15-20,32-33,44,52-55,85H,2-3,6-7,9,14,21-31,34-43H2,1H3,(H,74,86)(H,75,87)(H,76,94)(H,77,95)(H,78,97)(H,79,96)(H,88,89)(H,90,91)(H,92,93)(H4,68,69,72)(H4,70,71,73);/q;+4/t44-,52+,53+,54-,55-;/m1./s1 IGAZVVVVQXAGMN-DHOSLWHNSA-N 694520 US20240293587, Compound P5d::US20240293587, Compound Pc5d C-X-C chemokine receptor type 4 Homo sapiens 78.0 US Patent 10.7270/Q2WH2VBF US20240293587 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=694520 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=694520&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS 8K3Z C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 1442507 C[C@H]1N(CCCCCCNC(=N)NCCCCCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CCP(O)([O-])=O)C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O InChI=1S/C61H95N14O16P/c1-43-56(81)73-49(15-12-26-68-60(62)63)58(83)74-50(39-45-16-19-46-13-6-7-14-47(46)37-45)57(82)71-40-53(78)72-51(38-44-17-20-48(76)21-18-44)59(84)75(43)29-11-5-4-10-25-70-61(64)69-24-9-3-2-8-23-65-54(79)41-90-34-33-89-31-28-67-55(80)42-91-35-32-88-30-27-66-52(77)22-36-92(85,86)87/h6-7,13-14,16-21,37,43,49-51,76H,2-5,8-12,15,22-36,38-42H2,1H3,(H,65,79)(H,66,77)(H,67,80)(H,71,82)(H,72,78)(H,73,81)(H,74,83)(H4,62,63,68)(H3,64,69,70)(H2,85,86,87)/p-1/t43-,49+,50+,51-/m1/s1 UDHASPPTBUNORG-IICNJBLBSA-M 694510 US20240293587, Compound P5-QD::US20240293587, Compound Pc5-QD C-X-C chemokine receptor type 4 Homo sapiens 6.10 US Patent 10.7270/Q2WH2VBF US20240293587 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=694510 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=694510&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS 8K3Z C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 1442508 C[C@H]1N(CCCCCCNC(N)=N)C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O InChI=1S/C40H55N11O6/c1-25-35(54)49-31(11-8-19-46-40(43)44)37(56)50-32(23-27-12-15-28-9-4-5-10-29(28)21-27)36(55)47-24-34(53)48-33(22-26-13-16-30(52)17-14-26)38(57)51(25)20-7-3-2-6-18-45-39(41)42/h4-5,9-10,12-17,21,25,31-33,52H,2-3,6-8,11,18-20,22-24H2,1H3,(H,47,55)(H,48,53)(H,49,54)(H,50,56)(H4,41,42,45)(H4,43,44,46)/t25-,31+,32+,33-/m1/s1 JPGQIWFPVMCFHK-JMHOIKKCSA-N 694486 CPCR4.3::US20240293587, Compound R C-X-C chemokine receptor type 4 Homo sapiens 2.80 US Patent 10.7270/Q2WH2VBF US20240293587 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=694486 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=694486&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS 8K3Z C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 1442511 C[C@H]1N(CCCCCCNC(N)=N)C(=O)[C@@H](Cc2ccc(O)c(I)c2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O InChI=1S/C40H54IN11O6/c1-24-35(55)50-30(11-8-17-47-40(44)45)37(57)51-31(21-25-12-14-27-9-4-5-10-28(27)19-25)36(56)48-23-34(54)49-32(22-26-13-15-33(53)29(41)20-26)38(58)52(24)18-7-3-2-6-16-46-39(42)43/h4-5,9-10,12-15,19-20,24,30-32,53H,2-3,6-8,11,16-18,21-23H2,1H3,(H,48,56)(H,49,54)(H,50,55)(H,51,57)(H4,42,43,46)(H4,44,45,47)/t24-,30+,31+,32-/m1/s1 HCFNGTHHEZAQCG-MAXMHOBESA-N 694522 US20240293587, Compound R1 C-X-C chemokine receptor type 4 Homo sapiens 5.40 US Patent 10.7270/Q2WH2VBF US20240293587 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=694522 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=694522&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS 8K3Z C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 1442516 C[C@H]1N(CCCCCCNC(N)=N)C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CSCC(=O)NCc2cccc(CNC(=O)C[N+]34CC[N+]5(CC(O)=O)CC[N+]6(CC(O)=O)CC[N+](CC(O)=O)(CC3)[Lu]456)c2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O InChI=1S/C67H95N17O14S.Lu/c1-44-61(94)76-52(14-9-22-73-67(70)71)62(95)77-53(35-46-15-18-49-12-4-5-13-50(49)33-46)63(96)79-55(64(97)78-54(34-45-16-19-51(85)20-17-45)65(98)84(44)23-7-3-2-6-21-72-66(68)69)42-99-43-57(87)75-37-48-11-8-10-47(32-48)36-74-56(86)38-80-24-26-81(39-58(88)89)28-30-83(41-60(92)93)31-29-82(27-25-80)40-59(90)91;/h4-5,8,10-13,15-20,32-33,44,52-55,85H,2-3,6-7,9,14,21-31,34-43H2,1H3,(H,74,86)(H,75,87)(H,76,94)(H,77,95)(H,78,97)(H,79,96)(H,88,89)(H,90,91)(H,92,93)(H4,68,69,72)(H4,70,71,73);/q;+4/t44-,52+,53+,54-,55-;/m1./s1 QDMMHBUKNXWXJS-DHOSLWHNSA-N 694519 US20240293587, Compound P5c::US20240293587, Compound Pc5c C-X-C chemokine receptor type 4 Homo sapiens 13.0 US Patent 10.7270/Q2WH2VBF US20240293587 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=694519 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=694519&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS 8K3Z C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 1442518 C[C@H]1N(CCCCCCNC(N)=N)C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CSCC(=O)NCc2cccc(CNC(=O)C[N+]34CC[N+]5(CC(O)=O)CC[N+]6(CC(O)=O)CC[N+](CC(O)=O)(CC3)[Cu]456)c2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O InChI=1S/C67H95N17O14S.Cu/c1-44-61(94)76-52(14-9-22-73-67(70)71)62(95)77-53(35-46-15-18-49-12-4-5-13-50(49)33-46)63(96)79-55(64(97)78-54(34-45-16-19-51(85)20-17-45)65(98)84(44)23-7-3-2-6-21-72-66(68)69)42-99-43-57(87)75-37-48-11-8-10-47(32-48)36-74-56(86)38-80-24-26-81(39-58(88)89)28-30-83(41-60(92)93)31-29-82(27-25-80)40-59(90)91;/h4-5,8,10-13,15-20,32-33,44,52-55,85H,2-3,6-7,9,14,21-31,34-43H2,1H3,(H,74,86)(H,75,87)(H,76,94)(H,77,95)(H,78,97)(H,79,96)(H,88,89)(H,90,91)(H,92,93)(H4,68,69,72)(H4,70,71,73);/q;+4/t44-,52+,53+,54-,55-;/m1./s1 IGAZVVVVQXAGMN-DHOSLWHNSA-N 694520 US20240293587, Compound P5d::US20240293587, Compound Pc5d C-X-C chemokine receptor type 4 Homo sapiens 12.9 US Patent 10.7270/Q2WH2VBF US20240293587 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=694520 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=694520&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS 8K3Z C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 1442520 C[C@H]1N(CCCCCCNC(=N)NCCCCCCNC(=O)CNC(=O)CCCCC[N+]2=C(\C=C\C=C\C=C3\N(C)c4ccc(cc4C3(C)C)S(O)(=O)=O)C(C)(C)c3cc(ccc23)S([O-])(=O)=O)C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O InChI=1S/C80H107N15O14S2/c1-53-73(100)91-63(26-23-43-85-77(81)82)75(102)92-64(48-55-30-33-56-24-16-17-25-57(56)46-55)74(101)89-52-72(99)90-65(47-54-31-34-58(96)35-32-54)76(103)94(53)44-21-10-9-20-42-87-78(83)86-41-19-8-7-18-40-84-71(98)51-88-70(97)29-15-12-22-45-95-67-39-37-60(111(107,108)109)50-62(67)80(4,5)69(95)28-14-11-13-27-68-79(2,3)61-49-59(110(104,105)106)36-38-66(61)93(68)6/h11,13-14,16-17,24-25,27-28,30-39,46,49-50,53,63-65H,7-10,12,15,18-23,26,29,40-45,47-48,51-52H2,1-6H3,(H15-,81,82,83,84,85,86,87,88,89,90,91,92,96,97,98,99,100,101,102,104,105,106,107,108,109)/t53-,63+,64+,65-/m1/s1 XIRUTYGINPBLFG-DEHRDXHFSA-N 694525 US20240293587, Compound P5e C-X-C chemokine receptor type 4 Homo sapiens 156 US Patent 10.7270/Q2WH2VBF US20240293587 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=694525 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=694525&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS 8K3Z C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 1442522 C[C@H]1N(CCCCCCNC(=N)NCCCCCCNC(=O)CC(=O)CCCCC[N+]2=C(\C=C\C=C\C=C3\N(CCCCCC(C)=O)c4ccc(cc4C3(C)C)S(O)(=O)=O)C(C)(C)c3cc(ccc23)S([O-])(=O)=O)C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O InChI=1S/C86H116N14O15S2/c1-58(101)27-14-12-24-49-99-73-42-40-66(116(110,111)112)55-68(73)85(3,4)75(99)32-16-11-17-33-76-86(5,6)69-56-67(117(113,114)115)41-43-74(69)100(76)50-25-13-15-30-65(103)54-77(104)90-44-20-7-8-21-45-92-84(89)93-46-22-9-10-23-48-98-59(2)79(106)96-70(31-26-47-91-83(87)88)81(108)97-71(53-61-34-37-62-28-18-19-29-63(62)51-61)80(107)94-57-78(105)95-72(82(98)109)52-60-35-38-64(102)39-36-60/h11,16-19,28-29,32-43,51,55-56,59,70-72H,7-10,12-15,20-27,30-31,44-50,52-54,57H2,1-6H3,(H14-,87,88,89,90,91,92,93,94,95,96,97,102,104,105,106,107,108,110,111,112,113,114,115)/t59-,70+,71+,72-/m1/s1 GIADDMAFLVTMLN-JBPJHDNVSA-N 694526 US20240293587, Compound P5f C-X-C chemokine receptor type 4 Homo sapiens 115 US Patent 10.7270/Q2WH2VBF US20240293587 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=694526 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=694526&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS 8K3Z C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 1442524 C[C@H]1N(CCCCCCNC(=N)NCCCCCCNC(=O)CCOCCOCCOCCOCCNC(=O)CCCCC[N+]2=C(\C=C\C\C=C3\[NH+](C)c4ccc(cc4C3(C)C)S([O-])(=O)=O)C(C)(C)c3cc(ccc23)S([O-])(=O)=O)C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O InChI=1S/C88H125N15O18S2/c1-61-81(108)99-71(25-22-43-94-85(89)90)83(110)100-72(57-63-29-32-64-23-13-14-24-65(64)55-63)82(109)97-60-80(107)98-73(56-62-30-33-66(104)34-31-62)84(111)102(61)45-20-10-9-19-42-96-86(91)95-41-18-8-7-17-40-92-79(106)39-47-118-49-51-120-53-54-121-52-50-119-48-44-93-78(105)28-12-11-21-46-103-75-38-36-68(123(115,116)117)59-70(75)88(4,5)77(103)27-16-15-26-76-87(2,3)69-58-67(122(112,113)114)35-37-74(69)101(76)6/h13-14,16,23-24,26-27,29-38,55,58-59,61,71-73H,7-12,15,17-22,25,28,39-54,56-57,60H2,1-6H3,(H15-,89,90,91,92,93,94,95,96,97,98,99,100,104,105,106,107,108,109,110,112,113,114,115,116,117)/b27-16+,76-26+/t61-,71+,72+,73-/m1/s1 IGFVWFNUPPJRBC-MUKBBWOOSA-N 694507 Sulfo2-Cy5-PEG4-Hex-CPCR4.3::US20240293587, Compound P5g C-X-C chemokine receptor type 4 Homo sapiens 91.0 US Patent 10.7270/Q2WH2VBF US20240293587 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=694507 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=694507&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS 8K3Z C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 1442526 C[C@H]1N(CCCCCCNC(=N)NCCCCCCNC(=O)CNC(=O)CCOCCOCCOCCOCCNC(=O)CCCCC[N+]2=C(\C=C\C=C\C=C3\N(CCO[C@H]4OC(CO)[C@@H](O[C@@H]5OC(CO)[C@@H](O)[C@H](O)C5O)[C@H](O)C4O)c4ccc(cc4C3(C)C)S(O)(=O)=O)C(C)(C)c3cc(ccc23)S([O-])(=O)=O)C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O InChI=1S/C104H150N16O30S2/c1-66-95(133)116-76(25-22-43-110-101(105)106)97(135)117-77(59-68-29-32-69-23-15-16-24-70(69)57-68)96(134)114-63-88(127)115-78(58-67-30-33-71(123)34-31-67)98(136)118(66)45-20-9-8-19-42-112-102(107)111-41-18-7-6-17-40-108-87(126)62-113-86(125)39-48-143-51-53-145-55-56-146-54-52-144-49-44-109-85(124)28-14-11-21-46-119-79-37-35-72(151(137,138)139)60-74(79)103(2,3)83(119)26-12-10-13-27-84-104(4,5)75-61-73(152(140,141)142)36-38-80(75)120(84)47-50-147-99-93(132)91(130)94(82(65-122)149-99)150-100-92(131)90(129)89(128)81(64-121)148-100/h10,12-13,15-16,23-24,26-27,29-38,57,60-61,66,76-78,81-82,89-94,99-100,121-122,128-132H,6-9,11,14,17-22,25,28,39-56,58-59,62-65H2,1-5H3,(H16-,105,106,107,108,109,110,111,112,113,114,115,116,117,123,124,125,126,127,133,134,135,137,138,139,140,141,142)/t66-,76+,77+,78-,81?,82?,89-,90+,91-,92?,93?,94-,99+,100+/m1/s1 HVFUEHCXYUEGKI-JUAXQFSYSA-N 694527 US20240293587, Compound P5h C-X-C chemokine receptor type 4 Homo sapiens 129 US Patent 10.7270/Q2WH2VBF US20240293587 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=694527 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=694527&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS 8K3Z C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 1442528 C[C@H]1N(CCCCCCNC(=N)NCCCCCCNC(=O)CNC(=O)[C@@H](CCCNC(N)=N)NC(=O)CCCCC[N+]2=C(\C=C\C=C\C=C3\N(CCO[C@H]4OC(CO)[C@@H](O[C@@H]5OC(CO)[C@@H](O)[C@H](O)C5O)[C@H](O)C4O)c4ccc(cc4C3(C)C)S(O)(=O)=O)C(C)(C)c3cc(ccc23)S([O-])(=O)=O)C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O InChI=1S/C99H141N19O26S2/c1-59-88(130)114-70(27-23-45-107-96(102)103)91(133)115-71(52-61-31-34-62-24-15-16-25-63(62)50-61)90(132)111-56-81(124)113-72(51-60-32-35-64(121)36-33-60)92(134)116(59)46-20-9-8-19-43-109-97(104)108-42-18-7-6-17-41-105-80(123)55-110-89(131)69(26-22-44-106-95(100)101)112-79(122)30-14-11-21-47-117-73-39-37-65(145(135,136)137)53-67(73)98(2,3)77(117)28-12-10-13-29-78-99(4,5)68-54-66(146(138,139)140)38-40-74(68)118(78)48-49-141-93-86(129)84(127)87(76(58-120)143-93)144-94-85(128)83(126)82(125)75(57-119)142-94/h10,12-13,15-16,24-25,28-29,31-40,50,53-54,59,69-72,75-76,82-87,93-94,119-120,125-129H,6-9,11,14,17-23,26-27,30,41-49,51-52,55-58H2,1-5H3,(H20-,100,101,102,103,104,105,106,107,108,109,110,111,112,113,114,115,121,122,123,124,130,131,132,133,135,136,137,138,139,140)/t59-,69-,70+,71+,72-,75?,76?,82-,83+,84-,85?,86?,87-,93+,94+/m1/s1 LJOJFGFRQPNISE-ZFZJTDBCSA-N 694528 US20240293587, Compound P5i C-X-C chemokine receptor type 4 Homo sapiens 147 US Patent 10.7270/Q2WH2VBF US20240293587 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=694528 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=694528&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS 8K3Z C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 1442530 C[C@H]1N(CCCCCCNC(=N)NCCCCCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CCP(O)([O-])=O)C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O InChI=1S/C61H95N14O16P/c1-43-56(81)73-49(15-12-26-68-60(62)63)58(83)74-50(39-45-16-19-46-13-6-7-14-47(46)37-45)57(82)71-40-53(78)72-51(38-44-17-20-48(76)21-18-44)59(84)75(43)29-11-5-4-10-25-70-61(64)69-24-9-3-2-8-23-65-54(79)41-90-34-33-89-31-28-67-55(80)42-91-35-32-88-30-27-66-52(77)22-36-92(85,86)87/h6-7,13-14,16-21,37,43,49-51,76H,2-5,8-12,15,22-36,38-42H2,1H3,(H,65,79)(H,66,77)(H,67,80)(H,71,82)(H,72,78)(H,73,81)(H,74,83)(H4,62,63,68)(H3,64,69,70)(H2,85,86,87)/p-1/t43-,49+,50+,51-/m1/s1 UDHASPPTBUNORG-IICNJBLBSA-M 694510 US20240293587, Compound P5-QD::US20240293587, Compound Pc5-QD C-X-C chemokine receptor type 4 Homo sapiens 4.80 US Patent 10.7270/Q2WH2VBF US20240293587 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=694510 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=694510&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS 8K3Z C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 1442532 C[C@H]1N(CCCCCCNC(N)=N)C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CSCC(=O)NCc2cccc(CNC(=O)C[N+]34CC[N+]5(CC(O)=O)CC[N+]6(CC(O)=O)CC[N+](CC(O)=O)(CC3)[Ga-]456)c2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O InChI=1S/C67H95N17O14S.Ga/c1-44-61(94)76-52(14-9-22-73-67(70)71)62(95)77-53(35-46-15-18-49-12-4-5-13-50(49)33-46)63(96)79-55(64(97)78-54(34-45-16-19-51(85)20-17-45)65(98)84(44)23-7-3-2-6-21-72-66(68)69)42-99-43-57(87)75-37-48-11-8-10-47(32-48)36-74-56(86)38-80-24-26-81(39-58(88)89)28-30-83(41-60(92)93)31-29-82(27-25-80)40-59(90)91;/h4-5,8,10-13,15-20,32-33,44,52-55,85H,2-3,6-7,9,14,21-31,34-43H2,1H3,(H,74,86)(H,75,87)(H,76,94)(H,77,95)(H,78,97)(H,79,96)(H,88,89)(H,90,91)(H,92,93)(H4,68,69,72)(H4,70,71,73);/q;+3/t44-,52+,53+,54-,55-;/m1./s1 ARVUFVFSLXVMCM-DHOSLWHNSA-N 694518 US20240293587, Compound Pc5b C-X-C chemokine receptor type 4 Homo sapiens 64.0 US Patent 10.7270/Q2WH2VBF US20240293587 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=694518 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=694518&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS 8K3Z C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2 1442534 C[C@H]1N(CCCCCCNC(=N)NCCCCCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CCP(O)([O-])=O)C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O InChI=1S/C61H95N14O16P/c1-43-56(81)73-49(15-12-26-68-60(62)63)58(83)74-50(39-45-16-19-46-13-6-7-14-47(46)37-45)57(82)71-40-53(78)72-51(38-44-17-20-48(76)21-18-44)59(84)75(43)29-11-5-4-10-25-70-61(64)69-24-9-3-2-8-23-65-54(79)41-90-34-33-89-31-28-67-55(80)42-91-35-32-88-30-27-66-52(77)22-36-92(85,86)87/h6-7,13-14,16-21,37,43,49-51,76H,2-5,8-12,15,22-36,38-42H2,1H3,(H,65,79)(H,66,77)(H,67,80)(H,71,82)(H,72,78)(H,73,81)(H,74,83)(H4,62,63,68)(H3,64,69,70)(H2,85,86,87)/p-1/t43-,49+,50+,51-/m1/s1 UDHASPPTBUNORG-IICNJBLBSA-M 694510 US20240293587, Compound P5-QD::US20240293587, Compound Pc5-QD C-X-C chemokine receptor type 4 Homo sapiens 8.30 US Patent 10.7270/Q2WH2VBF US20240293587 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=694510 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9308&target=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=694510&enzyme=C-X-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 1 MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS 8K3Z C-X-C chemokine receptor type 4 CXCR4_HUMAN P61073 B2R5N0 O60835 P30991 P56438 Q53S69 Q9BXA0 Q9UKN2