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 50853832 Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(Cc1ccccc1)c1ccccc1 InChI=1S/C32H40N4O2/c1-25-14-21-36(38)26(2)30(25)31(37)33-22-17-32(3,18-23-33)34-19-15-29(16-20-34)35(28-12-8-5-9-13-28)24-27-10-6-4-7-11-27/h4-14,21,29H,15-20,22-24H2,1-3H3 YFEPUDFZMYDTMF-UHFFFAOYSA-N 50143743 CHEMBL61536::[4-(Benzyl-phenyl-amino)-4'-methyl-[1,4']bipiperidinyl-1'-yl]-(2,4-dimethyl-1-oxy-pyridin-3-yl)-methanone C-C chemokine receptor type 5 Macaca fascicularis 5.1 ChEMBL 10.1016/j.bmcl.2008.01.108 10.7270/Q2NC6229 18267361 Thoma, G; Beerli, C; Bigaud, M; Bruns, C; Cooke, NG; Streiff, MB; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50143743 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50005700&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50143743&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3008902 104032903 CHEMBL61536 ZINC13560276 1 MDYQVSSPTYDIDYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNILVVLILINCKRLKSMTDIYLLNLAISDLLFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAIVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQREGLHYTCSSHFPYSQYQFWKNFQTLKMVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL C-C chemokine receptor type 5 CCR5_MACFA P61814 O02746 P79436 Q548Q9 50853841 Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1cccnc1 InChI=1S/C30H37N5O2/c1-23-11-19-34(37)24(2)28(23)29(36)32-20-14-30(3,15-21-32)33-17-12-26(13-18-33)35(25-8-5-4-6-9-25)27-10-7-16-31-22-27/h4-11,16,19,22,26H,12-15,17-18,20-21H2,1-3H3 DDVVRHNNOPQPGB-UHFFFAOYSA-N 50234723 (2,4-dimethyl-1-oxy-pyridin-3-yl)-[4'-methyl-4-(phenyl-pyridin-3-yl-amino)-[1,4']bipiperidinyl-1'-yl]-methanone::CHEMBL255858 C-C chemokine receptor type 5 Macaca fascicularis 64 ChEMBL 10.1016/j.bmcl.2008.01.108 10.7270/Q2NC6229 18267361 Thoma, G; Beerli, C; Bigaud, M; Bruns, C; Cooke, NG; Streiff, MB; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50234723 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50005700&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50234723&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 10278617 104055985 CHEMBL255858 ZINC29040903 1 MDYQVSSPTYDIDYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNILVVLILINCKRLKSMTDIYLLNLAISDLLFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAIVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQREGLHYTCSSHFPYSQYQFWKNFQTLKMVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL C-C chemokine receptor type 5 CCR5_MACFA P61814 O02746 P79436 Q548Q9 50853847 Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1cccnc1 InChI=1S/C30H37N5O2/c1-23-11-19-34(37)24(2)28(23)29(36)32-20-14-30(3,15-21-32)33-17-12-26(13-18-33)35(25-8-5-4-6-9-25)27-10-7-16-31-22-27/h4-11,16,19,22,26H,12-15,17-18,20-21H2,1-3H3 DDVVRHNNOPQPGB-UHFFFAOYSA-N 50234723 (2,4-dimethyl-1-oxy-pyridin-3-yl)-[4'-methyl-4-(phenyl-pyridin-3-yl-amino)-[1,4']bipiperidinyl-1'-yl]-methanone::CHEMBL255858 C-C chemokine receptor type 5 Macaca fascicularis 8.1 ChEMBL 10.1016/j.bmcl.2008.01.108 10.7270/Q2NC6229 18267361 Thoma, G; Beerli, C; Bigaud, M; Bruns, C; Cooke, NG; Streiff, MB; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50234723 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50005700&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50234723&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 10278617 104055985 CHEMBL255858 ZINC29040903 1 MDYQVSSPTYDIDYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNILVVLILINCKRLKSMTDIYLLNLAISDLLFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAIVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQREGLHYTCSSHFPYSQYQFWKNFQTLKMVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL C-C chemokine receptor type 5 CCR5_MACFA P61814 O02746 P79436 Q548Q9 50853849 Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1ccccn1 InChI=1S/C30H37N5O2/c1-23-12-20-34(37)24(2)28(23)29(36)32-21-15-30(3,16-22-32)33-18-13-26(14-19-33)35(25-9-5-4-6-10-25)27-11-7-8-17-31-27/h4-12,17,20,26H,13-16,18-19,21-22H2,1-3H3 QLHFHZYYINJDOP-UHFFFAOYSA-N 50234729 (2,4-dimethyl-1-oxy-pyridin-3-yl)-[4'-methyl-4-(phenyl-pyridin-2-yl-amino)-[1,4']bipiperidinyl-1'-yl]-methanone::CHEMBL255646 C-C chemokine receptor type 5 Macaca fascicularis 12 ChEMBL 10.1016/j.bmcl.2008.01.108 10.7270/Q2NC6229 18267361 Thoma, G; Beerli, C; Bigaud, M; Bruns, C; Cooke, NG; Streiff, MB; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50234729 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50005700&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50234729&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44447735 104055991 CHEMBL255646 ZINC03943031 1 MDYQVSSPTYDIDYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNILVVLILINCKRLKSMTDIYLLNLAISDLLFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAIVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQREGLHYTCSSHFPYSQYQFWKNFQTLKMVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL C-C chemokine receptor type 5 CCR5_MACFA P61814 O02746 P79436 Q548Q9 50853852 Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1ccncc1 InChI=1S/C31H38N4O/c1-24-8-7-9-25(2)29(24)30(36)33-22-16-31(3,17-23-33)34-20-14-28(15-21-34)35(26-10-5-4-6-11-26)27-12-18-32-19-13-27/h4-13,18-19,28H,14-17,20-23H2,1-3H3 SFGOPQWPBVPWRW-UHFFFAOYSA-N 50234731 (2,6-dimethylphenyl)(4-methyl-4-(4-(phenyl(pyridin-4-yl)amino)piperidin-1-yl)piperidin-1-yl)methanone::CHEMBL255430 C-C chemokine receptor type 5 Macaca fascicularis 9.8 ChEMBL 10.1016/j.bmcl.2008.01.108 10.7270/Q2NC6229 18267361 Thoma, G; Beerli, C; Bigaud, M; Bruns, C; Cooke, NG; Streiff, MB; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50234731 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50005700&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50234731&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44447731 104055993 CHEMBL255430 ZINC29040889 1 MDYQVSSPTYDIDYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNILVVLILINCKRLKSMTDIYLLNLAISDLLFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAIVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQREGLHYTCSSHFPYSQYQFWKNFQTLKMVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL C-C chemokine receptor type 5 CCR5_MACFA P61814 O02746 P79436 Q548Q9 50853853 CC1(CCN(CC1)C(=O)c1cccc2ccccc12)N1CCC(CC1)N(c1ccccc1)c1cccnc1 InChI=1S/C33H36N4O/c1-33(18-23-35(24-19-33)32(38)31-15-7-10-26-9-5-6-14-30(26)31)36-21-16-28(17-22-36)37(27-11-3-2-4-12-27)29-13-8-20-34-25-29/h2-15,20,25,28H,16-19,21-24H2,1H3 OYJCCUUCPLNDIZ-UHFFFAOYSA-N 50234730 (4-methyl-4-(4-(phenyl(pyridin-3-yl)amino)piperidin-1-yl)piperidin-1-yl)(naphthalen-1-yl)methanone::CHEMBL401929 C-C chemokine receptor type 5 Macaca fascicularis 3.6 ChEMBL 10.1016/j.bmcl.2008.01.108 10.7270/Q2NC6229 18267361 Thoma, G; Beerli, C; Bigaud, M; Bruns, C; Cooke, NG; Streiff, MB; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50234730 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50005700&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50234730&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44447732 104055992 CHEMBL401929 ZINC29040891 1 MDYQVSSPTYDIDYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNILVVLILINCKRLKSMTDIYLLNLAISDLLFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAIVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQREGLHYTCSSHFPYSQYQFWKNFQTLKMVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL C-C chemokine receptor type 5 CCR5_MACFA P61814 O02746 P79436 Q548Q9 50853855 Cc1cccnc1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1cccnc1 InChI=1S/C29H35N5O/c1-23-8-6-17-31-27(23)28(35)32-20-14-29(2,15-21-32)33-18-12-25(13-19-33)34(24-9-4-3-5-10-24)26-11-7-16-30-22-26/h3-11,16-17,22,25H,12-15,18-21H2,1-2H3 KFPNMAHHOBQVHI-UHFFFAOYSA-N 50234724 (4-methyl-4-(4-(phenyl(pyridin-3-yl)amino)piperidin-1-yl)piperidin-1-yl)(3-methylpyridin-2-yl)methanone::CHEMBL255431 C-C chemokine receptor type 5 Macaca fascicularis 39 ChEMBL 10.1016/j.bmcl.2008.01.108 10.7270/Q2NC6229 18267361 Thoma, G; Beerli, C; Bigaud, M; Bruns, C; Cooke, NG; Streiff, MB; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50234724 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50005700&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50234724&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44447733 104055986 CHEMBL255431 ZINC29040893 1 MDYQVSSPTYDIDYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNILVVLILINCKRLKSMTDIYLLNLAISDLLFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAIVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQREGLHYTCSSHFPYSQYQFWKNFQTLKMVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL C-C chemokine receptor type 5 CCR5_MACFA P61814 O02746 P79436 Q548Q9 50853856 Cc1ccnc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1ccccc1 InChI=1S/C31H38N4O/c1-24-14-19-32-25(2)29(24)30(36)33-22-17-31(3,18-23-33)34-20-15-28(16-21-34)35(26-10-6-4-7-11-26)27-12-8-5-9-13-27/h4-14,19,28H,15-18,20-23H2,1-3H3 KFQMAIZBNWWGPO-UHFFFAOYSA-N 50143757 (2,4-Dimethyl-pyridin-3-yl)-(4-diphenylamino-4'-methyl-[1,4']bipiperidinyl-1'-yl)-methanone::(2,4-dimethylpyridin-3-yl)(4-(4-(diphenylamino)piperidin-1-yl)-4-methylpiperidin-1-yl)methanone::CHEMBL58387 C-C chemokine receptor type 5 Macaca fascicularis 1.1 ChEMBL 10.1016/j.bmcl.2008.01.108 10.7270/Q2NC6229 18267361 Thoma, G; Beerli, C; Bigaud, M; Bruns, C; Cooke, NG; Streiff, MB; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50143757 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50005700&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50143757&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3008927 104032917 CHEMBL58387 ZINC13560299 1 MDYQVSSPTYDIDYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNILVVLILINCKRLKSMTDIYLLNLAISDLLFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAIVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQREGLHYTCSSHFPYSQYQFWKNFQTLKMVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL C-C chemokine receptor type 5 CCR5_MACFA P61814 O02746 P79436 Q548Q9 50853861 Cc1ncnc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1ccccc1 InChI=1S/C30H37N5O/c1-23-28(24(2)32-22-31-23)29(36)33-20-16-30(3,17-21-33)34-18-14-27(15-19-34)35(25-10-6-4-7-11-25)26-12-8-5-9-13-26/h4-13,22,27H,14-21H2,1-3H3 LXIQLCKAIYEIEH-UHFFFAOYSA-N 50143756 (4,6-Dimethyl-pyrimidin-5-yl)-(4-diphenylamino-4'-methyl-[1,4']bipiperidinyl-1'-yl)-methanone::(4,6-dimethylpyrimidin-5-yl)(4-(4-(diphenylamino)piperidin-1-yl)-4-methylpiperidin-1-yl)methanone::CHEMBL61424 C-C chemokine receptor type 5 Macaca fascicularis 2.2 ChEMBL 10.1016/j.bmcl.2008.01.108 10.7270/Q2NC6229 18267361 Thoma, G; Beerli, C; Bigaud, M; Bruns, C; Cooke, NG; Streiff, MB; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50143756 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50005700&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50143756&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3008928 104032916 CHEMBL61424 ZINC13560300 1 MDYQVSSPTYDIDYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNILVVLILINCKRLKSMTDIYLLNLAISDLLFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAIVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQREGLHYTCSSHFPYSQYQFWKNFQTLKMVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL C-C chemokine receptor type 5 CCR5_MACFA P61814 O02746 P79436 Q548Q9 50853864 CC1(CCN(CC1)C(=O)c1c(Cl)c[n+]([O-])cc1Cl)N1CCC(CC1)N(c1ccccc1)c1cccnc1 InChI=1S/C28H31Cl2N5O2/c1-28(11-16-32(17-12-28)27(36)26-24(29)19-34(37)20-25(26)30)33-14-9-22(10-15-33)35(21-6-3-2-4-7-21)23-8-5-13-31-18-23/h2-8,13,18-20,22H,9-12,14-17H2,1H3 HGTYPLBMQNPFRJ-UHFFFAOYSA-N 50234725 (3,5-dichloro-1-oxy-pyridin-4-yl)-[4'-methyl-4-(phenyl-pyridin-3-yl-amino)-[1,4']bipiperidinyl-1'-yl]-methanone::CHEMBL255645 C-C chemokine receptor type 5 Macaca fascicularis 4.2 ChEMBL 10.1016/j.bmcl.2008.01.108 10.7270/Q2NC6229 18267361 Thoma, G; Beerli, C; Bigaud, M; Bruns, C; Cooke, NG; Streiff, MB; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50234725 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50005700&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50234725&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 10280445 104055987 CHEMBL255645 ZINC29040897 1 MDYQVSSPTYDIDYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNILVVLILINCKRLKSMTDIYLLNLAISDLLFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAIVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQREGLHYTCSSHFPYSQYQFWKNFQTLKMVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL C-C chemokine receptor type 5 CCR5_MACFA P61814 O02746 P79436 Q548Q9 50853865 Cc1ccnc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1cccnc1 InChI=1S/C30H37N5O/c1-23-11-17-32-24(2)28(23)29(36)33-20-14-30(3,15-21-33)34-18-12-26(13-19-34)35(25-8-5-4-6-9-25)27-10-7-16-31-22-27/h4-11,16-17,22,26H,12-15,18-21H2,1-3H3 HTTJCVMWSJWZID-UHFFFAOYSA-N 50234728 (2,4-dimethylpyridin-3-yl)(4-methyl-4-(4-(phenyl(pyridin-3-yl)amino)piperidin-1-yl)piperidin-1-yl)methanone::CHEMBL255856 C-C chemokine receptor type 5 Macaca fascicularis 0.8 ChEMBL 10.1016/j.bmcl.2008.01.108 10.7270/Q2NC6229 18267361 Thoma, G; Beerli, C; Bigaud, M; Bruns, C; Cooke, NG; Streiff, MB; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50234728 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50005700&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50234728&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 10413034 104055990 CHEMBL255856 ZINC29040899 1 MDYQVSSPTYDIDYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNILVVLILINCKRLKSMTDIYLLNLAISDLLFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAIVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQREGLHYTCSSHFPYSQYQFWKNFQTLKMVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL C-C chemokine receptor type 5 CCR5_MACFA P61814 O02746 P79436 Q548Q9 50853867 Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(Cc1ccccc1)c1ccccc1 InChI=1S/C33H41N3O/c1-26-11-10-12-27(2)31(26)32(37)34-23-19-33(3,20-24-34)35-21-17-30(18-22-35)36(29-15-8-5-9-16-29)25-28-13-6-4-7-14-28/h4-16,30H,17-25H2,1-3H3 JBRPUKJNMGIQRP-UHFFFAOYSA-N 50143740 (4-(4-(benzyl(phenyl)amino)piperidin-1-yl)-4-methylpiperidin-1-yl)(2,6-dimethylphenyl)methanone::CHEMBL301454::[4-(Benzyl-phenyl-amino)-4'-methyl-[1,4']bipiperidinyl-1'-yl]-(2,6-dimethyl-phenyl)-methanone C-C chemokine receptor type 5 Macaca fascicularis 3 ChEMBL 10.1016/j.bmcl.2008.01.108 10.7270/Q2NC6229 18267361 Thoma, G; Beerli, C; Bigaud, M; Bruns, C; Cooke, NG; Streiff, MB; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50143740 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50005700&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50143740&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3008913 104032900 CHEMBL301454 ZINC13560286 1 MDYQVSSPTYDIDYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNILVVLILINCKRLKSMTDIYLLNLAISDLLFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAIVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQREGLHYTCSSHFPYSQYQFWKNFQTLKMVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL C-C chemokine receptor type 5 CCR5_MACFA P61814 O02746 P79436 Q548Q9 50853868 Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(Cc1cccc(c1)C#N)c1ccccc1 InChI=1S/C33H39N5O2/c1-25-12-19-38(40)26(2)31(25)32(39)35-20-15-33(3,16-21-35)36-17-13-30(14-18-36)37(29-10-5-4-6-11-29)24-28-9-7-8-27(22-28)23-34/h4-12,19,22,30H,13-18,20-21,24H2,1-3H3 UALHUWYCEAVLAG-UHFFFAOYSA-N 50143734 3-({[1'-(2,4-Dimethyl-1-oxy-pyridine-3-carbonyl)-4'-methyl-[1,4']bipiperidinyl-4-yl]-phenyl-amino}-methyl)-benzonitrile::CHEMBL59511 C-C chemokine receptor type 5 Macaca fascicularis 2.8 ChEMBL 10.1016/j.bmcl.2008.01.108 10.7270/Q2NC6229 18267361 Thoma, G; Beerli, C; Bigaud, M; Bruns, C; Cooke, NG; Streiff, MB; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50143734 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50005700&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50143734&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3008904 104032894 CHEMBL59511 ZINC03943033 1 MDYQVSSPTYDIDYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNILVVLILINCKRLKSMTDIYLLNLAISDLLFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAIVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQREGLHYTCSSHFPYSQYQFWKNFQTLKMVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL C-C chemokine receptor type 5 CCR5_MACFA P61814 O02746 P79436 Q548Q9 50853872 Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1cccnc1 InChI=1S/C31H38N4O/c1-24-9-7-10-25(2)29(24)30(36)33-21-16-31(3,17-22-33)34-19-14-27(15-20-34)35(26-11-5-4-6-12-26)28-13-8-18-32-23-28/h4-13,18,23,27H,14-17,19-22H2,1-3H3 ZGCPJKJWPQSVFG-UHFFFAOYSA-N 50234732 (2,6-dimethylphenyl)(4-methyl-4-(4-(phenyl(pyridin-3-yl)amino)piperidin-1-yl)piperidin-1-yl)methanone::CHEMBL255429 C-C chemokine receptor type 5 Macaca fascicularis 1.1 ChEMBL 10.1016/j.bmcl.2008.01.108 10.7270/Q2NC6229 18267361 Thoma, G; Beerli, C; Bigaud, M; Bruns, C; Cooke, NG; Streiff, MB; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50234732 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50005700&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50234732&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 10163007 104055994 CHEMBL255429 ZINC29040887 1 MDYQVSSPTYDIDYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNILVVLILINCKRLKSMTDIYLLNLAISDLLFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAIVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQREGLHYTCSSHFPYSQYQFWKNFQTLKMVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL C-C chemokine receptor type 5 CCR5_MACFA P61814 O02746 P79436 Q548Q9 50853875 Cc1nc[n+]([O-])c(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1ccccc1 InChI=1S/C30H37N5O2/c1-23-28(24(2)34(37)22-31-23)29(36)32-20-16-30(3,17-21-32)33-18-14-27(15-19-33)35(25-10-6-4-7-11-25)26-12-8-5-9-13-26/h4-13,22,27H,14-21H2,1-3H3 AZSCGFLVNBRMKE-UHFFFAOYSA-N 50143741 (4,6-dimethyl-1-oxy-pyrimidin-5-yl)-(4-diphenylamino-4'-methyl-[1,4']bipiperidinyl-1'-yl)-methanone::CHEMBL58004 C-C chemokine receptor type 5 Macaca fascicularis 12 ChEMBL 10.1016/j.bmcl.2008.01.108 10.7270/Q2NC6229 18267361 Thoma, G; Beerli, C; Bigaud, M; Bruns, C; Cooke, NG; Streiff, MB; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50143741 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50005700&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50143741&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3008930 104032901 CHEMBL58004 ZINC03942459 1 MDYQVSSPTYDIDYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNILVVLILINCKRLKSMTDIYLLNLAISDLLFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAIVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQREGLHYTCSSHFPYSQYQFWKNFQTLKMVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL C-C chemokine receptor type 5 CCR5_MACFA P61814 O02746 P79436 Q548Q9 50853878 Cc1nc(CN(C2CCN(CC2)C2(C)CCN(CC2)C(=O)c2c(C)cc[n+]([O-])c2C)c2ccccc2)cs1 InChI=1S/C30H39N5O2S/c1-22-10-17-35(37)23(2)28(22)29(36)32-18-13-30(4,14-19-32)33-15-11-27(12-16-33)34(26-8-6-5-7-9-26)20-25-21-38-24(3)31-25/h5-10,17,21,27H,11-16,18-20H2,1-4H3 DNXMKFAIRKHJIZ-UHFFFAOYSA-N 50234727 2,4-dimethyl-1-oxy-pyridin-3-yl)-{4'-methyl-4-[(2-methyl-thiazol-4-ylmethyl)-phenyl-amino]-[1,4']bipiperidinyl-1'-yl}-methanone::CHEMBL255857 C-C chemokine receptor type 5 Macaca fascicularis 107 ChEMBL 10.1016/j.bmcl.2008.01.108 10.7270/Q2NC6229 18267361 Thoma, G; Beerli, C; Bigaud, M; Bruns, C; Cooke, NG; Streiff, MB; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50234727 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50005700&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50234727&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 10186910 104055989 CHEMBL255857 ZINC29040901 1 MDYQVSSPTYDIDYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNILVVLILINCKRLKSMTDIYLLNLAISDLLFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAIVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQREGLHYTCSSHFPYSQYQFWKNFQTLKMVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL C-C chemokine receptor type 5 CCR5_MACFA P61814 O02746 P79436 Q548Q9 50853880 Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1ccccc1 InChI=1S/C32H39N3O/c1-25-11-10-12-26(2)30(25)31(36)33-23-19-32(3,20-24-33)34-21-17-29(18-22-34)35(27-13-6-4-7-14-27)28-15-8-5-9-16-28/h4-16,29H,17-24H2,1-3H3 NCDCQNWXYJMYAZ-UHFFFAOYSA-N 50143736 (2,6-Dimethyl-phenyl)-(4-diphenylamino-4'-methyl-[1,4']bipiperidinyl-1'-yl)-methanone::(2,6-dimethylphenyl)(4-(4-(diphenylamino)piperidin-1-yl)-4-methylpiperidin-1-yl)methanone::CHEMBL62152 C-C chemokine receptor type 5 Macaca fascicularis 0.7 ChEMBL 10.1016/j.bmcl.2008.01.108 10.7270/Q2NC6229 18267361 Thoma, G; Beerli, C; Bigaud, M; Bruns, C; Cooke, NG; Streiff, MB; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50143736 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50005700&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50143736&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3008917 104032896 CHEMBL62152 ZINC13560289 1 MDYQVSSPTYDIDYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNILVVLILINCKRLKSMTDIYLLNLAISDLLFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAIVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQREGLHYTCSSHFPYSQYQFWKNFQTLKMVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL C-C chemokine receptor type 5 CCR5_MACFA P61814 O02746 P79436 Q548Q9 50853882 CC1(CCN(CC1)C(=O)c1c(Cl)cncc1Cl)N1CCC(CC1)N(c1ccccc1)c1cccnc1 InChI=1S/C28H31Cl2N5O/c1-28(11-16-33(17-12-28)27(36)26-24(29)19-32-20-25(26)30)34-14-9-22(10-15-34)35(21-6-3-2-4-7-21)23-8-5-13-31-18-23/h2-8,13,18-20,22H,9-12,14-17H2,1H3 NEWOCKYIUSCKBX-UHFFFAOYSA-N 50234726 (3,5-dichloropyridin-4-yl)(4-methyl-4-(4-(phenyl(pyridin-3-yl)amino)piperidin-1-yl)piperidin-1-yl)methanone::CHEMBL255644 C-C chemokine receptor type 5 Macaca fascicularis 3.2 ChEMBL 10.1016/j.bmcl.2008.01.108 10.7270/Q2NC6229 18267361 Thoma, G; Beerli, C; Bigaud, M; Bruns, C; Cooke, NG; Streiff, MB; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50234726 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50005700&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50234726&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44447734 104055988 CHEMBL255644 ZINC29040895 1 MDYQVSSPTYDIDYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNILVVLILINCKRLKSMTDIYLLNLAISDLLFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAIVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQREGLHYTCSSHFPYSQYQFWKNFQTLKMVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL C-C chemokine receptor type 5 CCR5_MACFA P61814 O02746 P79436 Q548Q9 50853884 Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1ccccc1 InChI=1S/C31H38N4O2/c1-24-14-21-34(37)25(2)29(24)30(36)32-22-17-31(3,18-23-32)33-19-15-28(16-20-33)35(26-10-6-4-7-11-26)27-12-8-5-9-13-27/h4-14,21,28H,15-20,22-23H2,1-3H3 KFDHCUNXEPNTLZ-UHFFFAOYSA-N 50143750 (2,4-Dimethyl-1-oxy-pyridin-3-yl)-(4-diphenylamino-4'-methyl-[1,4']bipiperidinyl-1'-yl)-methanone::CHEMBL556314 C-C chemokine receptor type 5 Macaca fascicularis 3.4 ChEMBL 10.1016/j.bmcl.2008.01.108 10.7270/Q2NC6229 18267361 Thoma, G; Beerli, C; Bigaud, M; Bruns, C; Cooke, NG; Streiff, MB; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50143750 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50005700&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50143750&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3008929 104032910 CHEMBL556314 ZINC13560301 1 MDYQVSSPTYDIDYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNILVVLILINCKRLKSMTDIYLLNLAISDLLFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAIVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQREGLHYTCSSHFPYSQYQFWKNFQTLKMVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL C-C chemokine receptor type 5 CCR5_MACFA P61814 O02746 P79436 Q548Q9 51209256 CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccc(NC(=O)COCC(=O)NCCCCCCCNC(=O)COCC(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6O[C@@H]2[C@]3(CCN4CC2CC2)c56)cc1 InChI=1S/C64H90F2N10O10/c1-39(2)60-73-72-40(3)76(60)48-32-46-16-17-47(33-48)75(46)29-22-49(71-61(82)43-19-23-62(65,66)24-20-43)42-11-14-45(15-12-42)69-55(80)37-84-35-53(78)67-27-7-5-4-6-8-28-68-54(79)36-85-38-56(81)70-50-21-25-64(83)52-31-44-13-18-51(77)58-57(44)63(64,59(50)86-58)26-30-74(52)34-41-9-10-41/h11-15,18,39,41,43,46-50,52,59,77,83H,4-10,16-17,19-38H2,1-3H3,(H,67,78)(H,68,79)(H,69,80)(H,70,81)(H,71,82)/t46?,47?,48?,49-,50+,52+,59-,63-,64+/m0/s1 BAVVASQPMQMZER-XJSRWQIGSA-N 160931 US9107954, 1 C-C chemokine receptor type 5 Macaca fascicularis 239 ChEMBL 10.1039/c3md00080j 10.7270/Q2474DTH 23682308 Yuan, Y; Arnatt, CK; El-Hage, N; Dever, SM; Jacob, JC; Selley, DE; Hauser, KF; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160931 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50005700&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160931&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 89702731 295369646 1 MDYQVSSPTYDIDYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNILVVLILINCKRLKSMTDIYLLNLAISDLLFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAIVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQREGLHYTCSSHFPYSQYQFWKNFQTLKMVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL C-C chemokine receptor type 5 CCR5_MACFA P61814 O02746 P79436 Q548Q9 51209257 CNC(=O)COCC(=O)NCCCCCCCNC(=O)COCC(=O)Nc1ccc(cc1)[C@H](CCN1C2CCC1CC(C2)n1c(C)nnc1C(C)C)NC(=O)C1CCC(F)(F)CC1 InChI=1S/C45H69F2N9O7/c1-30(2)43-54-53-31(3)56(43)37-24-35-14-15-36(25-37)55(35)23-18-38(52-44(61)33-16-19-45(46,47)20-17-33)32-10-12-34(13-11-32)51-42(60)29-63-28-41(59)50-22-9-7-5-6-8-21-49-40(58)27-62-26-39(57)48-4/h10-13,30,33,35-38H,5-9,14-29H2,1-4H3,(H,48,57)(H,49,58)(H,50,59)(H,51,60)(H,52,61)/t35?,36?,37?,38-/m0/s1 YMPXNWVXTASQGZ-FIUDAGRWSA-N 50496849 CHEMBL3219779 C-C chemokine receptor type 5 Macaca fascicularis 151 ChEMBL 10.1039/c3md00080j 10.7270/Q2474DTH 23682308 Yuan, Y; Arnatt, CK; El-Hage, N; Dever, SM; Jacob, JC; Selley, DE; Hauser, KF; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50496849 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50005700&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50496849&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 90666577 433964114 1 MDYQVSSPTYDIDYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNILVVLILINCKRLKSMTDIYLLNLAISDLLFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAIVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQREGLHYTCSSHFPYSQYQFWKNFQTLKMVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL C-C chemokine receptor type 5 CCR5_MACFA P61814 O02746 P79436 Q548Q9 51209261 CC(C)c1nnc(C)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 InChI=1S/C29H41F2N5O/c1-19(2)27-34-33-20(3)36(27)25-17-23-9-10-24(18-25)35(23)16-13-26(21-7-5-4-6-8-21)32-28(37)22-11-14-29(30,31)15-12-22/h4-8,19,22-26H,9-18H2,1-3H3,(H,32,37)/t23-,24+,25-,26-/m0/s1 GSNHKUDZZFZSJB-QYOOZWMWSA-N 50334986 4,4-Difluoro-cyclohexanecarboxylic acid {(S)-3-[(1S,5S)-3-(3-isopropyl-5-methyl-[1,2,4]triazol-4-yl)-8-aza-bicyclo[3.2.1]oct-8-yl]-1-phenyl-propyl}-amide::4,4-difluoro-N-((1S)-3-(3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl)-1-phenylpropyl)cyclohexanecarboxamide::4,4-difluoro-N-((S)-3-((1S,3S,5R)-3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-aza-bicyclo[3.2.1]octan-8-yl)-1-phenylpropyl)cyclohexanecarboxamide::4,4-difluoro-N-((S)-3-(3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-aza-bicyclo[3.2.1]octan-8-yl)-1-phenylpropyl)cyclohexanecarboxamide::CHEMBL1201187::MARAVIROC::Selzentry::UK-427857 C-C chemokine receptor type 5 Macaca fascicularis 0.240000 ChEMBL 10.1039/c3md00080j 10.7270/Q2474DTH 23682308 Yuan, Y; Arnatt, CK; El-Hage, N; Dever, SM; Jacob, JC; Selley, DE; Hauser, KF; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50334986 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50005700&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50334986&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3002977 125085088 CHEMBL1201187 803 ZINC03817234 1 MDYQVSSPTYDIDYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNILVVLILINCKRLKSMTDIYLLNLAISDLLFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAIVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQREGLHYTCSSHFPYSQYQFWKNFQTLKMVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL C-C chemokine receptor type 5 CCR5_MACFA P61814 O02746 P79436 Q548Q9 51209262 CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccc(N)cc1 InChI=1S/C29H42F2N6O/c1-18(2)27-35-34-19(3)37(27)25-16-23-8-9-24(17-25)36(23)15-12-26(20-4-6-22(32)7-5-20)33-28(38)21-10-13-29(30,31)14-11-21/h4-7,18,21,23-26H,8-17,32H2,1-3H3,(H,33,38)/t23?,24?,25?,26-/m0/s1 FURIEPCHQHZWDN-ILVMPNSOSA-N 50496850 CHEMBL3219780 C-C chemokine receptor type 5 Macaca fascicularis 15 ChEMBL 10.1039/c3md00080j 10.7270/Q2474DTH 23682308 Yuan, Y; Arnatt, CK; El-Hage, N; Dever, SM; Jacob, JC; Selley, DE; Hauser, KF; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50496850 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50005700&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50496850&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 90666578 433964115 1 MDYQVSSPTYDIDYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNILVVLILINCKRLKSMTDIYLLNLAISDLLFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAIVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQREGLHYTCSSHFPYSQYQFWKNFQTLKMVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL C-C chemokine receptor type 5 CCR5_MACFA P61814 O02746 P79436 Q548Q9 51381872 CNC(=O)COCC(=O)NCCCCCCCNC(=O)COCC(=O)Nc1ccc(cc1)[C@H](CCN1[C@H]2CC[C@@H]1C[C@@H](C2)n1c(C)nnc1C(C)C)NC(=O)C1CCC(F)(F)CC1 InChI=1S/C45H69F2N9O7/c1-30(2)43-54-53-31(3)56(43)37-24-35-14-15-36(25-37)55(35)23-18-38(52-44(61)33-16-19-45(46,47)20-17-33)32-10-12-34(13-11-32)51-42(60)29-63-28-41(59)50-22-9-7-5-6-8-21-49-40(58)27-62-26-39(57)48-4/h10-13,30,33,35-38H,5-9,14-29H2,1-4H3,(H,48,57)(H,49,58)(H,50,59)(H,51,60)(H,52,61)/t35-,36+,37+,38-/m0/s1 YMPXNWVXTASQGZ-LQDUMDOSSA-N 50558608 CHEMBL4795179 C-C chemokine receptor type 5 Macaca fascicularis 151 ChEMBL 10.1016/j.bmc.2016.09.059 10.7270/Q2HD80CC 27720326 Arnatt, CK; Falls, BA; Yuan, Y; Raborg, TJ; Masvekar, RR; El-Hage, N; Selley, DE; Nicola, AV; Knapp, PE; Hauser, KF; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50558608 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50005700&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50558608&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 101577042 461829000 1 MDYQVSSPTYDIDYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNILVVLILINCKRLKSMTDIYLLNLAISDLLFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAIVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQREGLHYTCSSHFPYSQYQFWKNFQTLKMVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL C-C chemokine receptor type 5 CCR5_MACFA P61814 O02746 P79436 Q548Q9 51381873 CC(C)c1nnc(C)n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 InChI=1S/C29H41F2N5O/c1-19(2)27-34-33-20(3)36(27)25-17-23-9-10-24(18-25)35(23)16-13-26(21-7-5-4-6-8-21)32-28(37)22-11-14-29(30,31)15-12-22/h4-8,19,22-26H,9-18H2,1-3H3,(H,32,37)/t23-,24+,25+,26-/m0/s1 GSNHKUDZZFZSJB-QUMGSSFMSA-N 50464147 CHEMBL256907 C-C chemokine receptor type 5 Macaca fascicularis 0.240000 ChEMBL 10.1016/j.bmc.2016.09.059 10.7270/Q2HD80CC 27720326 Arnatt, CK; Falls, BA; Yuan, Y; Raborg, TJ; Masvekar, RR; El-Hage, N; Selley, DE; Nicola, AV; Knapp, PE; Hauser, KF; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50464147 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50005700&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50464147&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3002977 433931412 1 MDYQVSSPTYDIDYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNILVVLILINCKRLKSMTDIYLLNLAISDLLFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAIVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQREGLHYTCSSHFPYSQYQFWKNFQTLKMVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL C-C chemokine receptor type 5 CCR5_MACFA P61814 O02746 P79436 Q548Q9 51381874 CC(C)c1nnc(C)n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccc(NC(=O)COCC(=O)NCCCCCCCNC(=O)COCC(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6O[C@@H]2[C@]3(CCN4CC2CC2)c56)cc1 InChI=1S/C64H90F2N10O10/c1-39(2)60-73-72-40(3)76(60)48-32-46-16-17-47(33-48)75(46)29-22-49(71-61(82)43-19-23-62(65,66)24-20-43)42-11-14-45(15-12-42)69-55(80)37-84-35-53(78)67-27-7-5-4-6-8-28-68-54(79)36-85-38-56(81)70-50-21-25-64(83)52-31-44-13-18-51(77)58-57(44)63(64,59(50)86-58)26-30-74(52)34-41-9-10-41/h11-15,18,39,41,43,46-50,52,59,77,83H,4-10,16-17,19-38H2,1-3H3,(H,67,78)(H,68,79)(H,69,80)(H,70,81)(H,71,82)/t46-,47+,48+,49-,50+,52+,59-,63-,64+/m0/s1 BAVVASQPMQMZER-KNDPKJHZSA-N 50558604 CHEMBL4748891 C-C chemokine receptor type 5 Macaca fascicularis 239 ChEMBL 10.1016/j.bmc.2016.09.059 10.7270/Q2HD80CC 27720326 Arnatt, CK; Falls, BA; Yuan, Y; Raborg, TJ; Masvekar, RR; El-Hage, N; Selley, DE; Nicola, AV; Knapp, PE; Hauser, KF; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50558604 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50005700&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50558604&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 162650661 461828996 1 MDYQVSSPTYDIDYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNILVVLILINCKRLKSMTDIYLLNLAISDLLFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAIVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQREGLHYTCSSHFPYSQYQFWKNFQTLKMVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL C-C chemokine receptor type 5 CCR5_MACFA P61814 O02746 P79436 Q548Q9 51444874 CC(C)c1nnc(CCNC(=O)COCC(=O)NCCCCCCCNC(=O)COCC(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6O[C@@H]2[C@]3(CCN4CC2CC2)c56)n1C1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 InChI=1S/C65H92F2N10O10/c1-41(2)61-74-73-53(77(61)48-34-46-16-17-47(35-48)76(46)31-23-49(43-11-7-6-8-12-43)72-62(83)44-19-24-63(66,67)25-20-44)22-30-70-56(81)39-85-37-54(79)68-28-9-4-3-5-10-29-69-55(80)38-86-40-57(82)71-50-21-26-65(84)52-33-45-15-18-51(78)59-58(45)64(65,60(50)87-59)27-32-75(52)36-42-13-14-42/h6-8,11-12,15,18,41-42,44,46-50,52,60,78,84H,3-5,9-10,13-14,16-17,19-40H2,1-2H3,(H,68,79)(H,69,80)(H,70,81)(H,71,82)(H,72,83)/t46-,47+,48?,49-,50+,52+,60-,64-,65+/m0/s1 RJZAGAMHLSCKAW-FIHPGCAYSA-N 50583784 CHEMBL5074744 C-C chemokine receptor type 5 Macaca fascicularis 3.3 ChEMBL 10.1021/acs.jmedchem.1c00408 10.7270/Q2R49VPJ 34027668 Huang, B; Wang, H; Zheng, Y; Li, M; Kang, G; Barreto-de-Souza, V; Nassehi, N; Knapp, PE; Selley, DE; Hauser, KF; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50583784 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50005700&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50583784&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 166636607 476019871 1 MDYQVSSPTYDIDYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNILVVLILINCKRLKSMTDIYLLNLAISDLLFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAIVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQREGLHYTCSSHFPYSQYQFWKNFQTLKMVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL C-C chemokine receptor type 5 CCR5_MACFA P61814 O02746 P79436 Q548Q9 51444875 CC(C)c1nnc(CCNC(=O)COCC(=O)NCCCCCCCCCNC(=O)COCC(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6O[C@@H]2[C@]3(CCN4CC2CC2)c56)n1C1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 InChI=1S/C67H96F2N10O10/c1-43(2)63-76-75-55(79(63)50-36-48-18-19-49(37-50)78(48)33-25-51(45-13-9-8-10-14-45)74-64(85)46-21-26-65(68,69)27-22-46)24-32-72-58(83)41-87-39-56(81)70-30-11-6-4-3-5-7-12-31-71-57(82)40-88-42-59(84)73-52-23-28-67(86)54-35-47-17-20-53(80)61-60(47)66(67,62(52)89-61)29-34-77(54)38-44-15-16-44/h8-10,13-14,17,20,43-44,46,48-52,54,62,80,86H,3-7,11-12,15-16,18-19,21-42H2,1-2H3,(H,70,81)(H,71,82)(H,72,83)(H,73,84)(H,74,85)/t48-,49+,50?,51-,52+,54+,62-,66-,67+/m0/s1 IKBBDCZZCOWFBY-MJSCZTCXSA-N 50583785 CHEMBL5089300 C-C chemokine receptor type 5 Macaca fascicularis 5.7 ChEMBL 10.1021/acs.jmedchem.1c00408 10.7270/Q2R49VPJ 34027668 Huang, B; Wang, H; Zheng, Y; Li, M; Kang, G; Barreto-de-Souza, V; Nassehi, N; Knapp, PE; Selley, DE; Hauser, KF; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50583785 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50005700&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50583785&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 166636399 476019872 1 MDYQVSSPTYDIDYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNILVVLILINCKRLKSMTDIYLLNLAISDLLFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAIVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQREGLHYTCSSHFPYSQYQFWKNFQTLKMVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL C-C chemokine receptor type 5 CCR5_MACFA P61814 O02746 P79436 Q548Q9 51444876 CC(C)c1nnc(C)n1C1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccc(NC(=O)COCC(=O)NCCCCCCCNC(=O)COCC(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6O[C@@H]2[C@]3(CCN4CC2CC2)c56)cc1 InChI=1S/C64H90F2N10O10/c1-39(2)60-73-72-40(3)76(60)48-32-46-16-17-47(33-48)75(46)29-22-49(71-61(82)43-19-23-62(65,66)24-20-43)42-11-14-45(15-12-42)69-55(80)37-84-35-53(78)67-27-7-5-4-6-8-28-68-54(79)36-85-38-56(81)70-50-21-25-64(83)52-31-44-13-18-51(77)58-57(44)63(64,59(50)86-58)26-30-74(52)34-41-9-10-41/h11-15,18,39,41,43,46-50,52,59,77,83H,4-10,16-17,19-38H2,1-3H3,(H,67,78)(H,68,79)(H,69,80)(H,70,81)(H,71,82)/t46-,47+,48?,49-,50+,52+,59-,63-,64+/m0/s1 BAVVASQPMQMZER-DUSRTOIOSA-N 50583787 CHEMBL5071060 C-C chemokine receptor type 5 Macaca fascicularis 2.4 ChEMBL 10.1021/acs.jmedchem.1c00408 10.7270/Q2R49VPJ 34027668 Huang, B; Wang, H; Zheng, Y; Li, M; Kang, G; Barreto-de-Souza, V; Nassehi, N; Knapp, PE; Selley, DE; Hauser, KF; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50583787 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50005700&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50583787&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 162650661 476019874 1 MDYQVSSPTYDIDYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNILVVLILINCKRLKSMTDIYLLNLAISDLLFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAIVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQREGLHYTCSSHFPYSQYQFWKNFQTLKMVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL C-C chemokine receptor type 5 CCR5_MACFA P61814 O02746 P79436 Q548Q9 51444877 CNC(=O)COCC(=O)NCCCCCCCNC(=O)COCC(=O)NCCc1nnc(C(C)C)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 InChI=1S/C46H71F2N9O7/c1-32(2)44-55-54-39(18-24-52-43(61)31-64-30-42(60)51-23-11-6-4-5-10-22-50-41(59)29-63-28-40(58)49-3)57(44)37-26-35-14-15-36(27-37)56(35)25-19-38(33-12-8-7-9-13-33)53-45(62)34-16-20-46(47,48)21-17-34/h7-9,12-13,32,34-38H,4-6,10-11,14-31H2,1-3H3,(H,49,58)(H,50,59)(H,51,60)(H,52,61)(H,53,62)/t35-,36+,37-,38-/m0/s1 JQDZBUUIBWIGKU-NAQJMGRXSA-N 50583788 CHEMBL5094690 C-C chemokine receptor type 5 Macaca fascicularis 41 ChEMBL 10.1021/acs.jmedchem.1c00408 10.7270/Q2R49VPJ 34027668 Huang, B; Wang, H; Zheng, Y; Li, M; Kang, G; Barreto-de-Souza, V; Nassehi, N; Knapp, PE; Selley, DE; Hauser, KF; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50583788 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50005700&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50583788&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 166634157 476019875 1 MDYQVSSPTYDIDYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNILVVLILINCKRLKSMTDIYLLNLAISDLLFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAIVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQREGLHYTCSSHFPYSQYQFWKNFQTLKMVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL C-C chemokine receptor type 5 CCR5_MACFA P61814 O02746 P79436 Q548Q9