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 50148644 COc1cc2nc(nc(NC3CCCCCC3)c2cc1OC)N1CCC(CC1)N1CCCC1 InChI=1S/C26H39N5O2/c1-32-23-17-21-22(18-24(23)33-2)28-26(29-25(21)27-19-9-5-3-4-6-10-19)31-15-11-20(12-16-31)30-13-7-8-14-30/h17-20H,3-16H2,1-2H3,(H,27,28,29) YBDCCURZNSZBBO-UHFFFAOYSA-N 50244380 CHEMBL487635::N-Cycloheptyl-6,7-dimethoxy-2-(4-pyrrolidine-1-ylpiperidine-1-yl)quinazolin-4-amine::N-cycloheptyl-6,7-dimethoxy-2-(4-(pyrrolidin-1-yl)piperidin-1-yl)quinazolin-4-amine::N-cycloheptyl-6,7-dimethoxy-2-(4-pyrrolidin-1-ylpiperidin-1-yl)quinazolin-4-amine C-C chemokine receptor type 4 Mus musculus 130 ChEMBL 10.1016/j.bmc.2008.07.062 10.7270/Q2QJ7H49 18694645 Yokoyama, K; Ishikawa, N; Igarashi, S; Kawano, N; Masuda, N; Hattori, K; Miyazaki, T; Ogino, S; Orita, M; Matsumoto, Y; Takeuchi, M; Ohta, M Astellas Pharma Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50244380 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003601&target=C-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50244380&enzyme=C-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 16724339 104100416 CHEMBL487635 ZINC42890578 1 MNATEVTDTTQDETVYNSYYFYESMPKPCTKEGIKAFGEVFLPPLYSLVFLLGLFGNSVVVLVLFKYKRLKSMTDVYLLNLAISDLLFVLSLPFWGYYAADQWVFGLGLCKIVSWMYLVGFYSGIFFIMLMSIDRYLAIVHAVFSLKARTLTYGVITSLITWSVAVFASLPGLLFSTCYTEHNHTYCKTQYSVNSTTWKVLSSLEINVLGLLIPLGIMLFCYSMIIRTLQHCKNEKKNRAVRMIFAVVVLFLGFWTPYNVVLFLETLVELEVLQDCTLERYLDYAIQATETLAFIHCCLNPVIYFFLGEKFRKYITQLFRTCRGPLVLCKHCDFLQVYSADMSSSSYTQSTVDHDFRDAL C-C chemokine receptor type 4 CCR4_MOUSE P51680 Q14A03 50148647 COc1cc2nc(nc(Nc3ccc(F)cc3)c2cc1OC)N1CCC(CC1)N1CCCC1 InChI=1S/C25H30FN5O2/c1-32-22-15-20-21(16-23(22)33-2)28-25(29-24(20)27-18-7-5-17(26)6-8-18)31-13-9-19(10-14-31)30-11-3-4-12-30/h5-8,15-16,19H,3-4,9-14H2,1-2H3,(H,27,28,29) CMIJJLIIEAXIKA-UHFFFAOYSA-N 50245069 CHEMBL487835::N-(4-Fluorophenyl)-6,7-dimethoxy-2-(4-pyrrolidin-1-ylpiperidin-1-yl)quinazolin-4-amine C-C chemokine receptor type 4 Mus musculus 710 ChEMBL 10.1016/j.bmc.2008.07.062 10.7270/Q2QJ7H49 18694645 Yokoyama, K; Ishikawa, N; Igarashi, S; Kawano, N; Masuda, N; Hattori, K; Miyazaki, T; Ogino, S; Orita, M; Matsumoto, Y; Takeuchi, M; Ohta, M Astellas Pharma Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50245069 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003601&target=C-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50245069&enzyme=C-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 44562189 104100932 CHEMBL487835 ZINC45498394 1 MNATEVTDTTQDETVYNSYYFYESMPKPCTKEGIKAFGEVFLPPLYSLVFLLGLFGNSVVVLVLFKYKRLKSMTDVYLLNLAISDLLFVLSLPFWGYYAADQWVFGLGLCKIVSWMYLVGFYSGIFFIMLMSIDRYLAIVHAVFSLKARTLTYGVITSLITWSVAVFASLPGLLFSTCYTEHNHTYCKTQYSVNSTTWKVLSSLEINVLGLLIPLGIMLFCYSMIIRTLQHCKNEKKNRAVRMIFAVVVLFLGFWTPYNVVLFLETLVELEVLQDCTLERYLDYAIQATETLAFIHCCLNPVIYFFLGEKFRKYITQLFRTCRGPLVLCKHCDFLQVYSADMSSSSYTQSTVDHDFRDAL C-C chemokine receptor type 4 CCR4_MOUSE P51680 Q14A03 50148653 COc1cc2nc(nc(Nc3ccc(Cl)cc3)c2cc1OC)N1CCC(CC1)N1CCCC1 InChI=1S/C25H30ClN5O2/c1-32-22-15-20-21(16-23(22)33-2)28-25(29-24(20)27-18-7-5-17(26)6-8-18)31-13-9-19(10-14-31)30-11-3-4-12-30/h5-8,15-16,19H,3-4,9-14H2,1-2H3,(H,27,28,29) HGXZQFOHAJZQST-UHFFFAOYSA-N 50245036 CHEMBL486840::N-(4-Chlorophenyl)-6,7-dimethoxy-2-(4-pyrrolidin-1-ylpiperidin-1-yl)quinazolin-4-amine C-C chemokine receptor type 4 Mus musculus 130 ChEMBL 10.1016/j.bmc.2008.07.062 10.7270/Q2QJ7H49 18694645 Yokoyama, K; Ishikawa, N; Igarashi, S; Kawano, N; Masuda, N; Hattori, K; Miyazaki, T; Ogino, S; Orita, M; Matsumoto, Y; Takeuchi, M; Ohta, M Astellas Pharma Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50245036 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003601&target=C-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50245036&enzyme=C-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 25141301 104100904 CHEMBL486840 ZINC45495656 1 MNATEVTDTTQDETVYNSYYFYESMPKPCTKEGIKAFGEVFLPPLYSLVFLLGLFGNSVVVLVLFKYKRLKSMTDVYLLNLAISDLLFVLSLPFWGYYAADQWVFGLGLCKIVSWMYLVGFYSGIFFIMLMSIDRYLAIVHAVFSLKARTLTYGVITSLITWSVAVFASLPGLLFSTCYTEHNHTYCKTQYSVNSTTWKVLSSLEINVLGLLIPLGIMLFCYSMIIRTLQHCKNEKKNRAVRMIFAVVVLFLGFWTPYNVVLFLETLVELEVLQDCTLERYLDYAIQATETLAFIHCCLNPVIYFFLGEKFRKYITQLFRTCRGPLVLCKHCDFLQVYSADMSSSSYTQSTVDHDFRDAL C-C chemokine receptor type 4 CCR4_MOUSE P51680 Q14A03 50148662 COc1cc2nc(nc(Nc3ccc(F)c(F)c3)c2cc1OC)N1CCC(CC1)N1CCCC1 InChI=1S/C25H29F2N5O2/c1-33-22-14-18-21(15-23(22)34-2)29-25(30-24(18)28-16-5-6-19(26)20(27)13-16)32-11-7-17(8-12-32)31-9-3-4-10-31/h5-6,13-15,17H,3-4,7-12H2,1-2H3,(H,28,29,30) SDLZTFYVGPVSQZ-UHFFFAOYSA-N 50245034 CHEMBL488018::N-(3,4-Difluorophenyl)-6,7-dimethoxy-2-(4-pyrrolidin-1-ylpiperidin-1-yl)quinazolin-4-amine C-C chemokine receptor type 4 Mus musculus 820 ChEMBL 10.1016/j.bmc.2008.07.062 10.7270/Q2QJ7H49 18694645 Yokoyama, K; Ishikawa, N; Igarashi, S; Kawano, N; Masuda, N; Hattori, K; Miyazaki, T; Ogino, S; Orita, M; Matsumoto, Y; Takeuchi, M; Ohta, M Astellas Pharma Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50245034 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003601&target=C-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50245034&enzyme=C-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 44562155 104100902 CHEMBL488018 ZINC45497141 1 MNATEVTDTTQDETVYNSYYFYESMPKPCTKEGIKAFGEVFLPPLYSLVFLLGLFGNSVVVLVLFKYKRLKSMTDVYLLNLAISDLLFVLSLPFWGYYAADQWVFGLGLCKIVSWMYLVGFYSGIFFIMLMSIDRYLAIVHAVFSLKARTLTYGVITSLITWSVAVFASLPGLLFSTCYTEHNHTYCKTQYSVNSTTWKVLSSLEINVLGLLIPLGIMLFCYSMIIRTLQHCKNEKKNRAVRMIFAVVVLFLGFWTPYNVVLFLETLVELEVLQDCTLERYLDYAIQATETLAFIHCCLNPVIYFFLGEKFRKYITQLFRTCRGPLVLCKHCDFLQVYSADMSSSSYTQSTVDHDFRDAL C-C chemokine receptor type 4 CCR4_MOUSE P51680 Q14A03 50444343 COc1cc2nc(nc(NC3CCCCCC3)c2cc1OC)N1CCC(CC1)N1CCCC(CO)C1 InChI=1S/C28H43N5O3/c1-35-25-16-23-24(17-26(25)36-2)30-28(31-27(23)29-21-9-5-3-4-6-10-21)32-14-11-22(12-15-32)33-13-7-8-20(18-33)19-34/h16-17,20-22,34H,3-15,18-19H2,1-2H3,(H,29,30,31) VQVJOORGRHBCAX-UHFFFAOYSA-N 50265742 CHEMBL521737::{1'-[4-(Cycloheptylamino)-6,7-dimethoxyquinazolin-2-yl]-1,4'-bipiperidin-3-yl}methanol C-C chemokine receptor type 4 Mus musculus 19 ChEMBL 10.1016/j.bmc.2008.11.020 10.7270/Q21836BS 19081254 Yokoyama, K; Ishikawa, N; Igarashi, S; Kawano, N; Masuda, N; Hamaguchi, W; Yamasaki, S; Koganemaru, Y; Hattori, K; Miyazaki, T; Ogino, S; Matsumoto, Y; Takeuchi, M; Ohta, M Astellas Pharma Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50265742 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003601&target=C-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50265742&enzyme=C-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 25212472 104113396 CHEMBL521737 ZINC40425373 1 MNATEVTDTTQDETVYNSYYFYESMPKPCTKEGIKAFGEVFLPPLYSLVFLLGLFGNSVVVLVLFKYKRLKSMTDVYLLNLAISDLLFVLSLPFWGYYAADQWVFGLGLCKIVSWMYLVGFYSGIFFIMLMSIDRYLAIVHAVFSLKARTLTYGVITSLITWSVAVFASLPGLLFSTCYTEHNHTYCKTQYSVNSTTWKVLSSLEINVLGLLIPLGIMLFCYSMIIRTLQHCKNEKKNRAVRMIFAVVVLFLGFWTPYNVVLFLETLVELEVLQDCTLERYLDYAIQATETLAFIHCCLNPVIYFFLGEKFRKYITQLFRTCRGPLVLCKHCDFLQVYSADMSSSSYTQSTVDHDFRDAL C-C chemokine receptor type 4 CCR4_MOUSE P51680 Q14A03 50444347 COc1cc2nc(nc(NC3CCCCCC3)c2cc1OC)N1CCC(CC1)N1CCCCC1 InChI=1S/C27H41N5O2/c1-33-24-18-22-23(19-25(24)34-2)29-27(30-26(22)28-20-10-6-3-4-7-11-20)32-16-12-21(13-17-32)31-14-8-5-9-15-31/h18-21H,3-17H2,1-2H3,(H,28,29,30) WYVBISCFCHREDA-UHFFFAOYSA-N 50243945 2-(1,4'-Bipiperidine-1'-yl)-N-cycloheptyl-6,7-dimethoxyquinazolin-4-amine::2-(1,4'-bipiperidin-1'-yl)-N-cycloheptyl-6,7-dimethoxyquinazolin-4-amine::CHEMBL508207::N-cycloheptyl-6,7-dimethoxy-2-(4-(piperidin-1-yl)piperidin-1-yl)quinazolin-4-amine C-C chemokine receptor type 4 Mus musculus 39 ChEMBL 10.1016/j.bmc.2008.11.020 10.7270/Q21836BS 19081254 Yokoyama, K; Ishikawa, N; Igarashi, S; Kawano, N; Masuda, N; Hamaguchi, W; Yamasaki, S; Koganemaru, Y; Hattori, K; Miyazaki, T; Ogino, S; Matsumoto, Y; Takeuchi, M; Ohta, M Astellas Pharma Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50243945 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003601&target=C-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50243945&enzyme=C-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 25141190 104100116 CHEMBL508207 ZINC40379917 1 MNATEVTDTTQDETVYNSYYFYESMPKPCTKEGIKAFGEVFLPPLYSLVFLLGLFGNSVVVLVLFKYKRLKSMTDVYLLNLAISDLLFVLSLPFWGYYAADQWVFGLGLCKIVSWMYLVGFYSGIFFIMLMSIDRYLAIVHAVFSLKARTLTYGVITSLITWSVAVFASLPGLLFSTCYTEHNHTYCKTQYSVNSTTWKVLSSLEINVLGLLIPLGIMLFCYSMIIRTLQHCKNEKKNRAVRMIFAVVVLFLGFWTPYNVVLFLETLVELEVLQDCTLERYLDYAIQATETLAFIHCCLNPVIYFFLGEKFRKYITQLFRTCRGPLVLCKHCDFLQVYSADMSSSSYTQSTVDHDFRDAL C-C chemokine receptor type 4 CCR4_MOUSE P51680 Q14A03 50444350 COc1cc2nc(nc(Nc3ccc(Cl)cc3)c2cc1OC)N1CCC(CC1)N1CCCC(CO)C1 InChI=1S/C27H34ClN5O3/c1-35-24-14-22-23(15-25(24)36-2)30-27(31-26(22)29-20-7-5-19(28)6-8-20)32-12-9-21(10-13-32)33-11-3-4-18(16-33)17-34/h5-8,14-15,18,21,34H,3-4,9-13,16-17H2,1-2H3,(H,29,30,31) MMYMTFWMJSXBLE-UHFFFAOYSA-N 50265669 (1'-{4-[(4-Chlorophenyl)amino]-6,7-dimethoxyquinazolin-2-yl}-1,4'-bipiperidin-3-yl)methanol::CHEMBL496356 C-C chemokine receptor type 4 Mus musculus 58 ChEMBL 10.1016/j.bmc.2008.11.020 10.7270/Q21836BS 19081254 Yokoyama, K; Ishikawa, N; Igarashi, S; Kawano, N; Masuda, N; Hamaguchi, W; Yamasaki, S; Koganemaru, Y; Hattori, K; Miyazaki, T; Ogino, S; Matsumoto, Y; Takeuchi, M; Ohta, M Astellas Pharma Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50265669 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003601&target=C-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50265669&enzyme=C-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 25212379 104113335 CHEMBL496356 ZINC40973765 1 MNATEVTDTTQDETVYNSYYFYESMPKPCTKEGIKAFGEVFLPPLYSLVFLLGLFGNSVVVLVLFKYKRLKSMTDVYLLNLAISDLLFVLSLPFWGYYAADQWVFGLGLCKIVSWMYLVGFYSGIFFIMLMSIDRYLAIVHAVFSLKARTLTYGVITSLITWSVAVFASLPGLLFSTCYTEHNHTYCKTQYSVNSTTWKVLSSLEINVLGLLIPLGIMLFCYSMIIRTLQHCKNEKKNRAVRMIFAVVVLFLGFWTPYNVVLFLETLVELEVLQDCTLERYLDYAIQATETLAFIHCCLNPVIYFFLGEKFRKYITQLFRTCRGPLVLCKHCDFLQVYSADMSSSSYTQSTVDHDFRDAL C-C chemokine receptor type 4 CCR4_MOUSE P51680 Q14A03 50444359 COc1cc2nc(nc(NC3CCCCCC3)c2cc1OC)N1CCC(CC1)N1CCCC1 InChI=1S/C26H39N5O2/c1-32-23-17-21-22(18-24(23)33-2)28-26(29-25(21)27-19-9-5-3-4-6-10-19)31-15-11-20(12-16-31)30-13-7-8-14-30/h17-20H,3-16H2,1-2H3,(H,27,28,29) YBDCCURZNSZBBO-UHFFFAOYSA-N 50244380 CHEMBL487635::N-Cycloheptyl-6,7-dimethoxy-2-(4-pyrrolidine-1-ylpiperidine-1-yl)quinazolin-4-amine::N-cycloheptyl-6,7-dimethoxy-2-(4-(pyrrolidin-1-yl)piperidin-1-yl)quinazolin-4-amine::N-cycloheptyl-6,7-dimethoxy-2-(4-pyrrolidin-1-ylpiperidin-1-yl)quinazolin-4-amine C-C chemokine receptor type 4 Mus musculus 130 ChEMBL 10.1016/j.bmc.2008.11.020 10.7270/Q21836BS 19081254 Yokoyama, K; Ishikawa, N; Igarashi, S; Kawano, N; Masuda, N; Hamaguchi, W; Yamasaki, S; Koganemaru, Y; Hattori, K; Miyazaki, T; Ogino, S; Matsumoto, Y; Takeuchi, M; Ohta, M Astellas Pharma Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50244380 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003601&target=C-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50244380&enzyme=C-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 16724339 104100416 CHEMBL487635 ZINC42890578 1 MNATEVTDTTQDETVYNSYYFYESMPKPCTKEGIKAFGEVFLPPLYSLVFLLGLFGNSVVVLVLFKYKRLKSMTDVYLLNLAISDLLFVLSLPFWGYYAADQWVFGLGLCKIVSWMYLVGFYSGIFFIMLMSIDRYLAIVHAVFSLKARTLTYGVITSLITWSVAVFASLPGLLFSTCYTEHNHTYCKTQYSVNSTTWKVLSSLEINVLGLLIPLGIMLFCYSMIIRTLQHCKNEKKNRAVRMIFAVVVLFLGFWTPYNVVLFLETLVELEVLQDCTLERYLDYAIQATETLAFIHCCLNPVIYFFLGEKFRKYITQLFRTCRGPLVLCKHCDFLQVYSADMSSSSYTQSTVDHDFRDAL C-C chemokine receptor type 4 CCR4_MOUSE P51680 Q14A03 50444360 COc1cc2nc(nc(Nc3ccc(Cl)cc3)c2cc1OC)N1CCC(CC1)N1CCCC1 InChI=1S/C25H30ClN5O2/c1-32-22-15-20-21(16-23(22)33-2)28-25(29-24(20)27-18-7-5-17(26)6-8-18)31-13-9-19(10-14-31)30-11-3-4-12-30/h5-8,15-16,19H,3-4,9-14H2,1-2H3,(H,27,28,29) HGXZQFOHAJZQST-UHFFFAOYSA-N 50245036 CHEMBL486840::N-(4-Chlorophenyl)-6,7-dimethoxy-2-(4-pyrrolidin-1-ylpiperidin-1-yl)quinazolin-4-amine C-C chemokine receptor type 4 Mus musculus 130 ChEMBL 10.1016/j.bmc.2008.11.020 10.7270/Q21836BS 19081254 Yokoyama, K; Ishikawa, N; Igarashi, S; Kawano, N; Masuda, N; Hamaguchi, W; Yamasaki, S; Koganemaru, Y; Hattori, K; Miyazaki, T; Ogino, S; Matsumoto, Y; Takeuchi, M; Ohta, M Astellas Pharma Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50245036 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003601&target=C-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50245036&enzyme=C-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 25141301 104100904 CHEMBL486840 ZINC45495656 1 MNATEVTDTTQDETVYNSYYFYESMPKPCTKEGIKAFGEVFLPPLYSLVFLLGLFGNSVVVLVLFKYKRLKSMTDVYLLNLAISDLLFVLSLPFWGYYAADQWVFGLGLCKIVSWMYLVGFYSGIFFIMLMSIDRYLAIVHAVFSLKARTLTYGVITSLITWSVAVFASLPGLLFSTCYTEHNHTYCKTQYSVNSTTWKVLSSLEINVLGLLIPLGIMLFCYSMIIRTLQHCKNEKKNRAVRMIFAVVVLFLGFWTPYNVVLFLETLVELEVLQDCTLERYLDYAIQATETLAFIHCCLNPVIYFFLGEKFRKYITQLFRTCRGPLVLCKHCDFLQVYSADMSSSSYTQSTVDHDFRDAL C-C chemokine receptor type 4 CCR4_MOUSE P51680 Q14A03 50444362 COc1cc2nc(nc(NCc3ccc(Cl)cc3)c2cc1OC)N1CCC(CC1)N1CCCC(CO)C1 InChI=1S/C28H36ClN5O3/c1-36-25-14-23-24(15-26(25)37-2)31-28(32-27(23)30-16-19-5-7-21(29)8-6-19)33-12-9-22(10-13-33)34-11-3-4-20(17-34)18-35/h5-8,14-15,20,22,35H,3-4,9-13,16-18H2,1-2H3,(H,30,31,32) JUTQNVZXCFFRSI-UHFFFAOYSA-N 50265748 (1'-{4-[(4-Chlorobenzyl)amino]-6,7-dimethoxyquinazolin-2-yl}-1,4'-bipiperidin-3-yl)methanol::CHEMBL495736 C-C chemokine receptor type 4 Mus musculus 140 ChEMBL 10.1016/j.bmc.2008.11.020 10.7270/Q21836BS 19081254 Yokoyama, K; Ishikawa, N; Igarashi, S; Kawano, N; Masuda, N; Hamaguchi, W; Yamasaki, S; Koganemaru, Y; Hattori, K; Miyazaki, T; Ogino, S; Matsumoto, Y; Takeuchi, M; Ohta, M Astellas Pharma Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50265748 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003601&target=C-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50265748&enzyme=C-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 44581102 104113402 CHEMBL495736 ZINC40955803 1 MNATEVTDTTQDETVYNSYYFYESMPKPCTKEGIKAFGEVFLPPLYSLVFLLGLFGNSVVVLVLFKYKRLKSMTDVYLLNLAISDLLFVLSLPFWGYYAADQWVFGLGLCKIVSWMYLVGFYSGIFFIMLMSIDRYLAIVHAVFSLKARTLTYGVITSLITWSVAVFASLPGLLFSTCYTEHNHTYCKTQYSVNSTTWKVLSSLEINVLGLLIPLGIMLFCYSMIIRTLQHCKNEKKNRAVRMIFAVVVLFLGFWTPYNVVLFLETLVELEVLQDCTLERYLDYAIQATETLAFIHCCLNPVIYFFLGEKFRKYITQLFRTCRGPLVLCKHCDFLQVYSADMSSSSYTQSTVDHDFRDAL C-C chemokine receptor type 4 CCR4_MOUSE P51680 Q14A03 50444365 COCC1CCCN(C1)C1CCN(CC1)c1nc(Nc2ccc(Cl)cc2)c2cc(OC)c(OC)cc2n1 InChI=1S/C28H36ClN5O3/c1-35-18-19-5-4-12-34(17-19)22-10-13-33(14-11-22)28-31-24-16-26(37-3)25(36-2)15-23(24)27(32-28)30-21-8-6-20(29)7-9-21/h6-9,15-16,19,22H,4-5,10-14,17-18H2,1-3H3,(H,30,31,32) IUJUWXIRDRYWGN-UHFFFAOYSA-N 50265670 CHEMBL526474::N-(4-Chlorophenyl)-6,7-dimethoxy-2-[3-(methoxymethyl)-1,4'-bipiperidin-1'-yl]quinazolin-4-amine C-C chemokine receptor type 4 Mus musculus 230 ChEMBL 10.1016/j.bmc.2008.11.020 10.7270/Q21836BS 19081254 Yokoyama, K; Ishikawa, N; Igarashi, S; Kawano, N; Masuda, N; Hamaguchi, W; Yamasaki, S; Koganemaru, Y; Hattori, K; Miyazaki, T; Ogino, S; Matsumoto, Y; Takeuchi, M; Ohta, M Astellas Pharma Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50265670 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003601&target=C-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50265670&enzyme=C-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 44581044 104113336 CHEMBL526474 ZINC40424252 1 MNATEVTDTTQDETVYNSYYFYESMPKPCTKEGIKAFGEVFLPPLYSLVFLLGLFGNSVVVLVLFKYKRLKSMTDVYLLNLAISDLLFVLSLPFWGYYAADQWVFGLGLCKIVSWMYLVGFYSGIFFIMLMSIDRYLAIVHAVFSLKARTLTYGVITSLITWSVAVFASLPGLLFSTCYTEHNHTYCKTQYSVNSTTWKVLSSLEINVLGLLIPLGIMLFCYSMIIRTLQHCKNEKKNRAVRMIFAVVVLFLGFWTPYNVVLFLETLVELEVLQDCTLERYLDYAIQATETLAFIHCCLNPVIYFFLGEKFRKYITQLFRTCRGPLVLCKHCDFLQVYSADMSSSSYTQSTVDHDFRDAL C-C chemokine receptor type 4 CCR4_MOUSE P51680 Q14A03 50444366 COc1cc2nc(nc(NCCc3ccc(Cl)cc3)c2cc1OC)N1CCC(CC1)N1CCCC(CO)C1 InChI=1S/C29H38ClN5O3/c1-37-26-16-24-25(17-27(26)38-2)32-29(33-28(24)31-12-9-20-5-7-22(30)8-6-20)34-14-10-23(11-15-34)35-13-3-4-21(18-35)19-36/h5-8,16-17,21,23,36H,3-4,9-15,18-19H2,1-2H3,(H,31,32,33) PTAGCXBAEBBEDM-UHFFFAOYSA-N 50265749 1'-(4-{[2-(4-Chlorophenyl)ethyl]amino}-6,7-dimethoxyquinazolin-2-yl)-1,40-bipiperidin-3-yl]methanol::CHEMBL495737 C-C chemokine receptor type 4 Mus musculus 390 ChEMBL 10.1016/j.bmc.2008.11.020 10.7270/Q21836BS 19081254 Yokoyama, K; Ishikawa, N; Igarashi, S; Kawano, N; Masuda, N; Hamaguchi, W; Yamasaki, S; Koganemaru, Y; Hattori, K; Miyazaki, T; Ogino, S; Matsumoto, Y; Takeuchi, M; Ohta, M Astellas Pharma Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50265749 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003601&target=C-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50265749&enzyme=C-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 44581103 104113403 CHEMBL495737 ZINC49881707 1 MNATEVTDTTQDETVYNSYYFYESMPKPCTKEGIKAFGEVFLPPLYSLVFLLGLFGNSVVVLVLFKYKRLKSMTDVYLLNLAISDLLFVLSLPFWGYYAADQWVFGLGLCKIVSWMYLVGFYSGIFFIMLMSIDRYLAIVHAVFSLKARTLTYGVITSLITWSVAVFASLPGLLFSTCYTEHNHTYCKTQYSVNSTTWKVLSSLEINVLGLLIPLGIMLFCYSMIIRTLQHCKNEKKNRAVRMIFAVVVLFLGFWTPYNVVLFLETLVELEVLQDCTLERYLDYAIQATETLAFIHCCLNPVIYFFLGEKFRKYITQLFRTCRGPLVLCKHCDFLQVYSADMSSSSYTQSTVDHDFRDAL C-C chemokine receptor type 4 CCR4_MOUSE P51680 Q14A03 50444367 COC1CCCN(C1)C1CCN(CC1)c1nc(Nc2ccc(Cl)cc2)c2cc(OC)c(OC)cc2n1 InChI=1S/C27H34ClN5O3/c1-34-21-5-4-12-33(17-21)20-10-13-32(14-11-20)27-30-23-16-25(36-3)24(35-2)15-22(23)26(31-27)29-19-8-6-18(28)7-9-19/h6-9,15-16,20-21H,4-5,10-14,17H2,1-3H3,(H,29,30,31) WOMWTCFFKLQKJG-UHFFFAOYSA-N 50265668 CHEMBL496152::N-(4-chlorophenyl)-6,7-dimethoxy-2-(3-methoxy-1,4'-bipiperidin-1'-yl)quinazolin-4-amine C-C chemokine receptor type 4 Mus musculus 420 ChEMBL 10.1016/j.bmc.2008.11.020 10.7270/Q21836BS 19081254 Yokoyama, K; Ishikawa, N; Igarashi, S; Kawano, N; Masuda, N; Hamaguchi, W; Yamasaki, S; Koganemaru, Y; Hattori, K; Miyazaki, T; Ogino, S; Matsumoto, Y; Takeuchi, M; Ohta, M Astellas Pharma Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50265668 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003601&target=C-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50265668&enzyme=C-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 44581043 104113334 CHEMBL496152 ZINC40430780 1 MNATEVTDTTQDETVYNSYYFYESMPKPCTKEGIKAFGEVFLPPLYSLVFLLGLFGNSVVVLVLFKYKRLKSMTDVYLLNLAISDLLFVLSLPFWGYYAADQWVFGLGLCKIVSWMYLVGFYSGIFFIMLMSIDRYLAIVHAVFSLKARTLTYGVITSLITWSVAVFASLPGLLFSTCYTEHNHTYCKTQYSVNSTTWKVLSSLEINVLGLLIPLGIMLFCYSMIIRTLQHCKNEKKNRAVRMIFAVVVLFLGFWTPYNVVLFLETLVELEVLQDCTLERYLDYAIQATETLAFIHCCLNPVIYFFLGEKFRKYITQLFRTCRGPLVLCKHCDFLQVYSADMSSSSYTQSTVDHDFRDAL C-C chemokine receptor type 4 CCR4_MOUSE P51680 Q14A03 50444368 COc1cc2nc(nc(Nc3ccc(Cl)cc3)c2cc1OC)N1CCC(CC1)N1CCCC(O)C1 InChI=1S/C26H32ClN5O3/c1-34-23-14-21-22(15-24(23)35-2)29-26(30-25(21)28-18-7-5-17(27)6-8-18)31-12-9-19(10-13-31)32-11-3-4-20(33)16-32/h5-8,14-15,19-20,33H,3-4,9-13,16H2,1-2H3,(H,28,29,30) AUZUCMHFUOGOFB-UHFFFAOYSA-N 50265667 1'-{4-[(4-Chlorophenyl)amino]-6,7-dimethoxyquinazolin-2-yl}-1,4'-bipiperidin-3-ol::CHEMBL496151 C-C chemokine receptor type 4 Mus musculus 430 ChEMBL 10.1016/j.bmc.2008.11.020 10.7270/Q21836BS 19081254 Yokoyama, K; Ishikawa, N; Igarashi, S; Kawano, N; Masuda, N; Hamaguchi, W; Yamasaki, S; Koganemaru, Y; Hattori, K; Miyazaki, T; Ogino, S; Matsumoto, Y; Takeuchi, M; Ohta, M Astellas Pharma Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50265667 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003601&target=C-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50265667&enzyme=C-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 44581042 104113333 CHEMBL496151 ZINC40954367 1 MNATEVTDTTQDETVYNSYYFYESMPKPCTKEGIKAFGEVFLPPLYSLVFLLGLFGNSVVVLVLFKYKRLKSMTDVYLLNLAISDLLFVLSLPFWGYYAADQWVFGLGLCKIVSWMYLVGFYSGIFFIMLMSIDRYLAIVHAVFSLKARTLTYGVITSLITWSVAVFASLPGLLFSTCYTEHNHTYCKTQYSVNSTTWKVLSSLEINVLGLLIPLGIMLFCYSMIIRTLQHCKNEKKNRAVRMIFAVVVLFLGFWTPYNVVLFLETLVELEVLQDCTLERYLDYAIQATETLAFIHCCLNPVIYFFLGEKFRKYITQLFRTCRGPLVLCKHCDFLQVYSADMSSSSYTQSTVDHDFRDAL C-C chemokine receptor type 4 CCR4_MOUSE P51680 Q14A03 50985200 COc1nc(Br)cnc1NS(=O)(=O)c1ccc(Cl)s1 InChI=1S/C9H7BrClN3O3S2/c1-17-9-8(12-4-5(10)13-9)14-19(15,16)7-3-2-6(11)18-7/h2-4H,1H3,(H,12,14) TZYSLHTWOJFPSJ-UHFFFAOYSA-N 50378979 CHEMBL2011441 C-C chemokine receptor type 4 Mus musculus 5.0 ChEMBL 10.1021/acsmedchemlett.7b00315 10.7270/Q2KD21DK 28947948 Kindon, N; Andrews, G; Baxter, A; Cheshire, D; Hemsley, P; Johnson, T; Liu, YZ; McGinnity, D; McHale, M; Mete, A; Reuberson, J; Roberts, B; Steele, J; Teobald, B; Unitt, J; Vaughan, D; Walters, I; Stocks, MJ AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50378979 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003601&target=C-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50378979&enzyme=C-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 10215932 160858062 CHEMBL2011441 ZINC38388584 1 MNATEVTDTTQDETVYNSYYFYESMPKPCTKEGIKAFGEVFLPPLYSLVFLLGLFGNSVVVLVLFKYKRLKSMTDVYLLNLAISDLLFVLSLPFWGYYAADQWVFGLGLCKIVSWMYLVGFYSGIFFIMLMSIDRYLAIVHAVFSLKARTLTYGVITSLITWSVAVFASLPGLLFSTCYTEHNHTYCKTQYSVNSTTWKVLSSLEINVLGLLIPLGIMLFCYSMIIRTLQHCKNEKKNRAVRMIFAVVVLFLGFWTPYNVVLFLETLVELEVLQDCTLERYLDYAIQATETLAFIHCCLNPVIYFFLGEKFRKYITQLFRTCRGPLVLCKHCDFLQVYSADMSSSSYTQSTVDHDFRDAL C-C chemokine receptor type 4 CCR4_MOUSE P51680 Q14A03 50985284 COc1nccnc1NS(=O)(=O)c1cccc(Cl)c1Cl InChI=1S/C11H9Cl2N3O3S/c1-19-11-10(14-5-6-15-11)16-20(17,18)8-4-2-3-7(12)9(8)13/h2-6H,1H3,(H,14,16) FLSMVCMSUNISFK-UHFFFAOYSA-N 50278724 CHEMBL4169247 C-C chemokine receptor type 4 Mus musculus 10.0 ChEMBL 10.1021/acsmedchemlett.7b00315 10.7270/Q2KD21DK 28947948 Kindon, N; Andrews, G; Baxter, A; Cheshire, D; Hemsley, P; Johnson, T; Liu, YZ; McGinnity, D; McHale, M; Mete, A; Reuberson, J; Roberts, B; Steele, J; Teobald, B; Unitt, J; Vaughan, D; Walters, I; Stocks, MJ AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50278724 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003601&target=C-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50278724&enzyme=C-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 10308720 406793471 1 MNATEVTDTTQDETVYNSYYFYESMPKPCTKEGIKAFGEVFLPPLYSLVFLLGLFGNSVVVLVLFKYKRLKSMTDVYLLNLAISDLLFVLSLPFWGYYAADQWVFGLGLCKIVSWMYLVGFYSGIFFIMLMSIDRYLAIVHAVFSLKARTLTYGVITSLITWSVAVFASLPGLLFSTCYTEHNHTYCKTQYSVNSTTWKVLSSLEINVLGLLIPLGIMLFCYSMIIRTLQHCKNEKKNRAVRMIFAVVVLFLGFWTPYNVVLFLETLVELEVLQDCTLERYLDYAIQATETLAFIHCCLNPVIYFFLGEKFRKYITQLFRTCRGPLVLCKHCDFLQVYSADMSSSSYTQSTVDHDFRDAL C-C chemokine receptor type 4 CCR4_MOUSE P51680 Q14A03 50985295 COc1nc(F)cnc1NS(=O)(=O)c1cccc(Cl)c1Cl InChI=1S/C11H8Cl2FN3O3S/c1-20-11-10(15-5-8(14)16-11)17-21(18,19)7-4-2-3-6(12)9(7)13/h2-5H,1H3,(H,15,17) NWSUDJQTTGDPIR-UHFFFAOYSA-N 50278798 CHEMBL4172635 C-C chemokine receptor type 4 Mus musculus 1.000000 ChEMBL 10.1021/acsmedchemlett.7b00315 10.7270/Q2KD21DK 28947948 Kindon, N; Andrews, G; Baxter, A; Cheshire, D; Hemsley, P; Johnson, T; Liu, YZ; McGinnity, D; McHale, M; Mete, A; Reuberson, J; Roberts, B; Steele, J; Teobald, B; Unitt, J; Vaughan, D; Walters, I; Stocks, MJ AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50278798 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003601&target=C-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50278798&enzyme=C-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 23585443 406793511 1 MNATEVTDTTQDETVYNSYYFYESMPKPCTKEGIKAFGEVFLPPLYSLVFLLGLFGNSVVVLVLFKYKRLKSMTDVYLLNLAISDLLFVLSLPFWGYYAADQWVFGLGLCKIVSWMYLVGFYSGIFFIMLMSIDRYLAIVHAVFSLKARTLTYGVITSLITWSVAVFASLPGLLFSTCYTEHNHTYCKTQYSVNSTTWKVLSSLEINVLGLLIPLGIMLFCYSMIIRTLQHCKNEKKNRAVRMIFAVVVLFLGFWTPYNVVLFLETLVELEVLQDCTLERYLDYAIQATETLAFIHCCLNPVIYFFLGEKFRKYITQLFRTCRGPLVLCKHCDFLQVYSADMSSSSYTQSTVDHDFRDAL C-C chemokine receptor type 4 CCR4_MOUSE P51680 Q14A03 51264794 C[C@H](c1ccc(Cl)cc1Cl)n1nc(C#N)c2ncc(nc12)C1=CC[C@@H]([C@H](C)C1)N1CCC[C@H]1CO InChI=1S/C26H28Cl2N6O/c1-15-10-17(5-8-24(15)33-9-3-4-19(33)14-35)23-13-30-25-22(12-29)32-34(26(25)31-23)16(2)20-7-6-18(27)11-21(20)28/h5-7,11,13,15-16,19,24,35H,3-4,8-10,14H2,1-2H3/t15-,16-,19+,24+/m1/s1 KQZLRWGGWXJPOS-NLFPWZOASA-N 50516625 CHEMBL4459231 C-C chemokine receptor type 4 Mus musculus 165 ChEMBL 10.1021/acs.jmedchem.9b00506 10.7270/Q2571GCP 31259550 Jackson, JJ; Ketcham, JM; Younai, A; Abraham, B; Biannic, B; Beck, HP; Bui, MHT; Chian, D; Cutler, G; Diokno, R; Hu, DX; Jacobson, S; Karbarz, E; Kassner, PD; Marshall, L; McKinnell, J; Meleza, C; Okal, A; Pookot, D; Reilly, MK; Robles, O; Shunatona, HP; Talay, O; Walker, JR; Wadsworth, A; Wustrow, DJ; Zibinsky, M RAPT Therapeutics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50516625 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003601&target=C-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50516625&enzyme=C-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 134324842 440725207 1 MNATEVTDTTQDETVYNSYYFYESMPKPCTKEGIKAFGEVFLPPLYSLVFLLGLFGNSVVVLVLFKYKRLKSMTDVYLLNLAISDLLFVLSLPFWGYYAADQWVFGLGLCKIVSWMYLVGFYSGIFFIMLMSIDRYLAIVHAVFSLKARTLTYGVITSLITWSVAVFASLPGLLFSTCYTEHNHTYCKTQYSVNSTTWKVLSSLEINVLGLLIPLGIMLFCYSMIIRTLQHCKNEKKNRAVRMIFAVVVLFLGFWTPYNVVLFLETLVELEVLQDCTLERYLDYAIQATETLAFIHCCLNPVIYFFLGEKFRKYITQLFRTCRGPLVLCKHCDFLQVYSADMSSSSYTQSTVDHDFRDAL C-C chemokine receptor type 4 CCR4_MOUSE P51680 Q14A03 51264795 C[C@H](c1ccc(Cl)cc1Cl)n1nc(C#N)c2ncc(nc12)C1=CC[C@@H]([C@H](C)C1)N1CCC[C@H]1C InChI=1S/C26H28Cl2N6/c1-15-11-18(6-9-24(15)33-10-4-5-16(33)2)23-14-30-25-22(13-29)32-34(26(25)31-23)17(3)20-8-7-19(27)12-21(20)28/h6-8,12,14-17,24H,4-5,9-11H2,1-3H3/t15-,16-,17-,24+/m1/s1 HXCOUSZKZHLJDV-AKVMLJAXSA-N 50516626 CHEMBL4475665 C-C chemokine receptor type 4 Mus musculus 325 ChEMBL 10.1021/acs.jmedchem.9b00506 10.7270/Q2571GCP 31259550 Jackson, JJ; Ketcham, JM; Younai, A; Abraham, B; Biannic, B; Beck, HP; Bui, MHT; Chian, D; Cutler, G; Diokno, R; Hu, DX; Jacobson, S; Karbarz, E; Kassner, PD; Marshall, L; McKinnell, J; Meleza, C; Okal, A; Pookot, D; Reilly, MK; Robles, O; Shunatona, HP; Talay, O; Walker, JR; Wadsworth, A; Wustrow, DJ; Zibinsky, M RAPT Therapeutics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50516626 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003601&target=C-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50516626&enzyme=C-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 134335394 440725208 1 MNATEVTDTTQDETVYNSYYFYESMPKPCTKEGIKAFGEVFLPPLYSLVFLLGLFGNSVVVLVLFKYKRLKSMTDVYLLNLAISDLLFVLSLPFWGYYAADQWVFGLGLCKIVSWMYLVGFYSGIFFIMLMSIDRYLAIVHAVFSLKARTLTYGVITSLITWSVAVFASLPGLLFSTCYTEHNHTYCKTQYSVNSTTWKVLSSLEINVLGLLIPLGIMLFCYSMIIRTLQHCKNEKKNRAVRMIFAVVVLFLGFWTPYNVVLFLETLVELEVLQDCTLERYLDYAIQATETLAFIHCCLNPVIYFFLGEKFRKYITQLFRTCRGPLVLCKHCDFLQVYSADMSSSSYTQSTVDHDFRDAL C-C chemokine receptor type 4 CCR4_MOUSE P51680 Q14A03 51349474 C[C@H](c1ccc(Cl)cc1Cl)n1nc(C#N)c2ncc(nc12)N1CC(C1)[C@H]1CCCN(CCO)C1 InChI=1S/C24H27Cl2N7O/c1-15(19-5-4-18(25)9-20(19)26)33-24-23(21(10-27)30-33)28-11-22(29-24)32-13-17(14-32)16-3-2-6-31(12-16)7-8-34/h4-5,9,11,15-17,34H,2-3,6-8,12-14H2,1H3/t15-,16+/m1/s1 PNCGVFJZWKHMCL-CVEARBPZSA-N 50545778 CHEMBL4637143 C-C chemokine receptor type 4 Mus musculus 39 ChEMBL 10.1021/acs.jmedchem.0c00988 10.7270/Q2DZ0CW6 32667798 Robles, O; Jackson, JJ; Marshall, L; Talay, O; Chian, D; Cutler, G; Diokno, R; Hu, DX; Jacobson, S; Karbarz, E; Kassner, PD; Ketcham, JM; McKinnell, J; Meleza, C; Reilly, MK; Riegler, E; Shunatona, HP; Wadsworth, A; Younai, A; Brockstedt, DG; Wustrow, DJ; Zibinsky, M RAPT Therapeutics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50545778 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003601&target=C-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50545778&enzyme=C-C+chemokine+receptor+type+4&column=ki&startPg=0&Increment=50&submit=Search 134225255 442111589 1 MNATEVTDTTQDETVYNSYYFYESMPKPCTKEGIKAFGEVFLPPLYSLVFLLGLFGNSVVVLVLFKYKRLKSMTDVYLLNLAISDLLFVLSLPFWGYYAADQWVFGLGLCKIVSWMYLVGFYSGIFFIMLMSIDRYLAIVHAVFSLKARTLTYGVITSLITWSVAVFASLPGLLFSTCYTEHNHTYCKTQYSVNSTTWKVLSSLEINVLGLLIPLGIMLFCYSMIIRTLQHCKNEKKNRAVRMIFAVVVLFLGFWTPYNVVLFLETLVELEVLQDCTLERYLDYAIQATETLAFIHCCLNPVIYFFLGEKFRKYITQLFRTCRGPLVLCKHCDFLQVYSADMSSSSYTQSTVDHDFRDAL C-C chemokine receptor type 4 CCR4_MOUSE P51680 Q14A03