Compile Data Set for Download or QSAR
Found 1918 Enz. Inhib. hit(s) with Target = 'P2Y purinoceptor 12'
TargetP2Y purinoceptor 12(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50302697((S)-5-(4-(butoxycarbonyl)piperazin-1-yl)-4-(4-(4-(...)
Show SMILES CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCC(CC1)C(=O)NCC
Show InChI InChI=1S/C34H46N6O7/c1-3-5-21-47-34(46)40-19-17-39(18-20-40)33(45)27(11-12-30(41)42)37-32(44)29-23-26(22-28(36-29)24-9-7-6-8-10-24)38-15-13-25(14-16-38)31(43)35-4-2/h6-10,22-23,25,27H,3-5,11-21H2,1-2H3,(H,35,43)(H,37,44)(H,41,42)/t27-/m0/s1
Affinity DataKi:  0.380nMAssay Description:Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assayMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 12(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50302722((S)-5-oxo-5-(4-(pentyloxycarbonyl)piperazin-1-yl)-...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCC(CN2CCCC2)CC1
Show InChI InChI=1S/C36H51N7O6/c1-2-3-9-24-49-36(48)43-22-20-42(21-23-43)35(47)29(12-13-32(44)45)38-34(46)30-25-31(39-33(37-30)28-10-5-4-6-11-28)41-18-14-27(15-19-41)26-40-16-7-8-17-40/h4-6,10-11,25,27,29H,2-3,7-9,12-24,26H2,1H3,(H,38,46)(H,44,45)/t29-/m0/s1
Affinity DataKi:  0.400nMAssay Description:Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assayMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 12(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50302690((S)-5-oxo-5-(4-(pentyloxycarbonyl)piperazin-1-yl)-...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCC(CC1)C(=O)N1CCCC1
Show InChI InChI=1S/C36H49N7O7/c1-2-3-9-24-50-36(49)43-22-20-42(21-23-43)35(48)28(12-13-31(44)45)38-33(46)29-25-30(39-32(37-29)26-10-5-4-6-11-26)40-18-14-27(15-19-40)34(47)41-16-7-8-17-41/h4-6,10-11,25,27-28H,2-3,7-9,12-24H2,1H3,(H,38,46)(H,44,45)/t28-/m0/s1
Affinity DataKi:  0.460nMAssay Description:Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assayMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 12(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50306993((S)-4-(4-(4-(ethylcarbamoyl)piperidin-1-yl)-6-phen...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCC(CC1)C(=O)NCC
Show InChI InChI=1S/C35H48N6O7/c1-3-5-9-22-48-35(47)41-20-18-40(19-21-41)34(46)28(12-13-31(42)43)38-33(45)30-24-27(23-29(37-30)25-10-7-6-8-11-25)39-16-14-26(15-17-39)32(44)36-4-2/h6-8,10-11,23-24,26,28H,3-5,9,12-22H2,1-2H3,(H,36,44)(H,38,45)(H,42,43)/t28-/m0/s1
Affinity DataKi:  0.580nMAssay Description:Inhibition of human P2Y12 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 12(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50302696((S)-4-(6-(4-(ethylcarbamoyl)piperidin-1-yl)-2-phen...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCC(CC1)C(=O)NCC
Show InChI InChI=1S/C34H47N7O7/c1-3-5-9-22-48-34(47)41-20-18-40(19-21-41)33(46)26(12-13-29(42)43)37-32(45)27-23-28(38-30(36-27)24-10-7-6-8-11-24)39-16-14-25(15-17-39)31(44)35-4-2/h6-8,10-11,23,25-26H,3-5,9,12-22H2,1-2H3,(H,35,44)(H,37,45)(H,42,43)/t26-/m0/s1
Affinity DataKi:  0.600nMAssay Description:Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assayMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 12(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50302723((4S)-4-[(6-{4-[(diethylamino)methyl]piperidin-1-yl...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCC(CN(CC)CC)CC1
Show InChI InChI=1S/C36H53N7O6/c1-4-7-11-24-49-36(48)43-22-20-42(21-23-43)35(47)29(14-15-32(44)45)38-34(46)30-25-31(39-33(37-30)28-12-9-8-10-13-28)41-18-16-27(17-19-41)26-40(5-2)6-3/h8-10,12-13,25,27,29H,4-7,11,14-24,26H2,1-3H3,(H,38,46)(H,44,45)/t29-/m0/s1
Affinity DataKi:  0.610nMAssay Description:Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assayMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 12(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50306935((S)-4-(4-(3-carbamoylazetidin-1-yl)-6-phenylpicoli...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CC(C1)C(N)=O
Show InChI InChI=1S/C31H40N6O7/c1-2-3-7-16-44-31(43)36-14-12-35(13-15-36)30(42)24(10-11-27(38)39)34-29(41)26-18-23(37-19-22(20-37)28(32)40)17-25(33-26)21-8-5-4-6-9-21/h4-6,8-9,17-18,22,24H,2-3,7,10-16,19-20H2,1H3,(H2,32,40)(H,34,41)(H,38,39)/t24-/m0/s1
Affinity DataKi:  0.640nMAssay Description:Inhibition of human P2Y12 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 12(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50302687((S)-4-(6-(4-(2-(ethylamino)-2-oxoethyl)piperidin-1...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCC(CC(=O)NCC)CC1
Show InChI InChI=1S/C35H49N7O7/c1-3-5-9-22-49-35(48)42-20-18-41(19-21-42)34(47)27(12-13-31(44)45)38-33(46)28-24-29(39-32(37-28)26-10-7-6-8-11-26)40-16-14-25(15-17-40)23-30(43)36-4-2/h6-8,10-11,24-25,27H,3-5,9,12-23H2,1-2H3,(H,36,43)(H,38,46)(H,44,45)/t27-/m0/s1
Affinity DataKi:  0.670nMAssay Description:Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assayMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 12(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50302697((S)-5-(4-(butoxycarbonyl)piperazin-1-yl)-4-(4-(4-(...)
Show SMILES CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCC(CC1)C(=O)NCC
Show InChI InChI=1S/C34H46N6O7/c1-3-5-21-47-34(46)40-19-17-39(18-20-40)33(45)27(11-12-30(41)42)37-32(44)29-23-26(22-28(36-29)24-9-7-6-8-10-24)38-15-13-25(14-16-38)31(43)35-4-2/h6-10,22-23,25,27H,3-5,11-21H2,1-2H3,(H,35,43)(H,37,44)(H,41,42)/t27-/m0/s1
Affinity DataKi:  0.680nMAssay Description:Inhibition of human P2Y12 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 12(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50302646((S)-4-(6-(4-aminopiperidin-1-yl)-2-phenylpyrimidin...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCC(N)CC1
Show InChI InChI=1S/C31H43N7O6/c1-2-3-7-20-44-31(43)38-18-16-37(17-19-38)30(42)24(10-11-27(39)40)34-29(41)25-21-26(36-14-12-23(32)13-15-36)35-28(33-25)22-8-5-4-6-9-22/h4-6,8-9,21,23-24H,2-3,7,10-20,32H2,1H3,(H,34,41)(H,39,40)/t24-/m0/s1
Affinity DataKi:  0.690nMAssay Description:Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assayMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 12(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50302691((S)-5-(4-(butoxycarbonyl)piperazin-1-yl)-5-oxo-4-(...)
Show SMILES CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCC(CC1)C(=O)N1CCCC1
Show InChI InChI=1S/C35H47N7O7/c1-2-3-23-49-35(48)42-21-19-41(20-22-42)34(47)27(11-12-30(43)44)37-32(45)28-24-29(38-31(36-28)25-9-5-4-6-10-25)39-17-13-26(14-18-39)33(46)40-15-7-8-16-40/h4-6,9-10,24,26-27H,2-3,7-8,11-23H2,1H3,(H,37,45)(H,43,44)/t27-/m0/s1
Affinity DataKi:  0.700nMAssay Description:Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assayMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 12(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50302711((S)-4-(6-(4-(2-hydroxyethoxy)piperidin-1-yl)-2-phe...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCC(CC1)OCCO
Show InChI InChI=1S/C33H46N6O8/c1-2-3-7-21-47-33(45)39-18-16-38(17-19-39)32(44)26(10-11-29(41)42)35-31(43)27-23-28(36-30(34-27)24-8-5-4-6-9-24)37-14-12-25(13-15-37)46-22-20-40/h4-6,8-9,23,25-26,40H,2-3,7,10-22H2,1H3,(H,35,43)(H,41,42)/t26-/m0/s1
Affinity DataKi:  0.710nMAssay Description:Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assayMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 12(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50306996((S)-5-(4-(butoxycarbonyl)piperazin-1-yl)-5-oxo-4-(...)
Show SMILES CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCC(CN2CCCC2=O)CC1
Show InChI InChI=1S/C36H48N6O7/c1-2-3-22-49-36(48)41-20-18-40(19-21-41)35(47)29(11-12-33(44)45)38-34(46)31-24-28(23-30(37-31)27-8-5-4-6-9-27)39-16-13-26(14-17-39)25-42-15-7-10-32(42)43/h4-6,8-9,23-24,26,29H,2-3,7,10-22,25H2,1H3,(H,38,46)(H,44,45)/t29-/m0/s1
Affinity DataKi:  0.790nMAssay Description:Inhibition of human P2Y12 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 12(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50302695((S)-5-(4-(butoxycarbonyl)piperazin-1-yl)-4-(6-(4-(...)
Show SMILES CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCC(CC1)C(=O)N(CC)CC
Show InChI InChI=1S/C35H49N7O7/c1-4-7-23-49-35(48)42-21-19-41(20-22-42)34(47)27(13-14-30(43)44)37-32(45)28-24-29(38-31(36-28)25-11-9-8-10-12-25)40-17-15-26(16-18-40)33(46)39(5-2)6-3/h8-12,24,26-27H,4-7,13-23H2,1-3H3,(H,37,45)(H,43,44)/t27-/m0/s1
Affinity DataKi:  0.790nMAssay Description:Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assayMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 12(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50397165(CHEMBL2172149)
Show SMILES CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC2CCC2)n(n1)-c1ccccc1
Show InChI InChI=1S/C35H47N7O9/c1-2-3-21-50-35(49)40-19-17-39(18-20-40)34(48)26(14-15-31(44)45)37-32(46)27-22-30(42(38-27)25-11-5-4-6-12-25)51-23-29(43)41-16-8-13-28(41)33(47)36-24-9-7-10-24/h4-6,11-12,22,24,26,28H,2-3,7-10,13-21,23H2,1H3,(H,36,47)(H,37,46)(H,44,45)/t26-,28-/m0/s1
Affinity DataKi:  0.800nMAssay Description:Displacement of [33P]2-MeS-ADP from human recombinant P2Y12 receptor expressed in CHO cell membranes by scintillation counting methodMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 12(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50302692((S)-4-(6-(4-(azetidine-1-carbonyl)piperidin-1-yl)-...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCC(CC1)C(=O)N1CCC1
Show InChI InChI=1S/C35H47N7O7/c1-2-3-7-23-49-35(48)42-21-19-41(20-22-42)34(47)27(11-12-30(43)44)37-32(45)28-24-29(38-31(36-28)25-9-5-4-6-10-25)39-17-13-26(14-18-39)33(46)40-15-8-16-40/h4-6,9-10,24,26-27H,2-3,7-8,11-23H2,1H3,(H,37,45)(H,43,44)/t27-/m0/s1
Affinity DataKi:  0.830nMAssay Description:Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assayMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 12(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50302688((S)-4-(6-(4-(2-(methylamino)-2-oxoethyl)piperidin-...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCC(CC(=O)NC)CC1
Show InChI InChI=1S/C34H47N7O7/c1-3-4-8-21-48-34(47)41-19-17-40(18-20-41)33(46)26(11-12-30(43)44)37-32(45)27-23-28(38-31(36-27)25-9-6-5-7-10-25)39-15-13-24(14-16-39)22-29(42)35-2/h5-7,9-10,23-24,26H,3-4,8,11-22H2,1-2H3,(H,35,42)(H,37,45)(H,43,44)/t26-/m0/s1
Affinity DataKi:  0.900nMAssay Description:Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assayMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 12(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50302685((S)-4-(6-(4-(2-(azetidin-1-yl)-2-oxoethyl)piperidi...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCC(CC(=O)N2CCC2)CC1
Show InChI InChI=1S/C36H49N7O7/c1-2-3-7-23-50-36(49)43-21-19-42(20-22-43)35(48)28(11-12-32(45)46)38-34(47)29-25-30(39-33(37-29)27-9-5-4-6-10-27)40-17-13-26(14-18-40)24-31(44)41-15-8-16-41/h4-6,9-10,25-26,28H,2-3,7-8,11-24H2,1H3,(H,38,47)(H,45,46)/t28-/m0/s1
Affinity DataKi:  0.920nMAssay Description:Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assayMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 12(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50306989((S)-4-(4-(4-(dimethylcarbamoyl)piperidin-1-yl)-6-p...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCC(CC1)C(=O)N(C)C
Show InChI InChI=1S/C35H48N6O7/c1-4-5-9-22-48-35(47)41-20-18-40(19-21-41)34(46)28(12-13-31(42)43)37-32(44)30-24-27(23-29(36-30)25-10-7-6-8-11-25)39-16-14-26(15-17-39)33(45)38(2)3/h6-8,10-11,23-24,26,28H,4-5,9,12-22H2,1-3H3,(H,37,44)(H,42,43)/t28-/m0/s1
Affinity DataKi:  0.980nMAssay Description:Inhibition of human P2Y12 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 12(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50302702((S)-5-oxo-4-(6-(4-((2-oxopyrrolidin-1-yl)methyl)pi...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCC(CN2CCCC2=O)CC1
Show InChI InChI=1S/C36H49N7O7/c1-2-3-7-23-50-36(49)42-21-19-41(20-22-42)35(48)28(12-13-32(45)46)38-34(47)29-24-30(39-33(37-29)27-9-5-4-6-10-27)40-17-14-26(15-18-40)25-43-16-8-11-31(43)44/h4-6,9-10,24,26,28H,2-3,7-8,11-23,25H2,1H3,(H,38,47)(H,45,46)/t28-/m0/s1
Affinity DataKi:  0.990nMAssay Description:Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assayMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 12(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50302658((S)-4-(6-morpholino-2-phenylpyrimidine-4-carboxami...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCOCC1
Show InChI InChI=1S/C30H40N6O7/c1-2-3-7-18-43-30(41)36-14-12-35(13-15-36)29(40)23(10-11-26(37)38)32-28(39)24-21-25(34-16-19-42-20-17-34)33-27(31-24)22-8-5-4-6-9-22/h4-6,8-9,21,23H,2-3,7,10-20H2,1H3,(H,32,39)(H,37,38)/t23-/m0/s1
Affinity DataKi:  1nMAssay Description:Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assayMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 12(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50307602((4S)-4-[({4-[3-(Dimethylamino)propyl]-6-phenylpyri...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(CCCN(C)C)cc(n1)-c1ccccc1
Show InChI InChI=1S/C32H45N5O6/c1-4-5-9-21-43-32(42)37-19-17-36(18-20-37)31(41)26(14-15-29(38)39)34-30(40)28-23-24(11-10-16-35(2)3)22-27(33-28)25-12-7-6-8-13-25/h6-8,12-13,22-23,26H,4-5,9-11,14-21H2,1-3H3,(H,34,40)(H,38,39)/t26-/m0/s1
Affinity DataKi:  1nMAssay Description:Displacement of [33P]ADP from human recombinant P2Y12 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 12(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50306987((S)-5-(4-(butoxycarbonyl)piperazin-1-yl)-4-(4-(4-(...)
Show SMILES CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCC(CC1)C(=O)N(CC)CC
Show InChI InChI=1S/C36H50N6O7/c1-4-7-23-49-36(48)42-21-19-41(20-22-42)35(47)29(13-14-32(43)44)38-33(45)31-25-28(24-30(37-31)26-11-9-8-10-12-26)40-17-15-27(16-18-40)34(46)39(5-2)6-3/h8-12,24-25,27,29H,4-7,13-23H2,1-3H3,(H,38,45)(H,43,44)/t29-/m0/s1
Affinity DataKi:  1.10nMAssay Description:Inhibition of human P2Y12 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 12(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50307002((4S)-5-Oxo-5-{4-[(pentyloxy)carbonyl]piperazin-1-y...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCC(CN2CCCC2)CC1
Show InChI InChI=1S/C37H52N6O6/c1-2-3-9-24-49-37(48)43-22-20-42(21-23-43)36(47)31(12-13-34(44)45)39-35(46)33-26-30(25-32(38-33)29-10-5-4-6-11-29)41-18-14-28(15-19-41)27-40-16-7-8-17-40/h4-6,10-11,25-26,28,31H,2-3,7-9,12-24,27H2,1H3,(H,39,46)(H,44,45)/t31-/m0/s1
Affinity DataKi:  1.10nMAssay Description:Inhibition of human P2Y12 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 12(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50307002((4S)-5-Oxo-5-{4-[(pentyloxy)carbonyl]piperazin-1-y...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCC(CN2CCCC2)CC1
Show InChI InChI=1S/C37H52N6O6/c1-2-3-9-24-49-37(48)43-22-20-42(21-23-43)36(47)31(12-13-34(44)45)39-35(46)33-26-30(25-32(38-33)29-10-5-4-6-11-29)41-18-14-28(15-19-41)27-40-16-7-8-17-40/h4-6,10-11,25-26,28,31H,2-3,7-9,12-24,27H2,1H3,(H,39,46)(H,44,45)/t31-/m0/s1
Affinity DataKi:  1.10nMAssay Description:Displacement of [33P]ADP from human recombinant P2Y12 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 12(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50302727((S)-4-(6-(4-((methylamino)methyl)piperidin-1-yl)-2...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCC(CNC)CC1
Show InChI InChI=1S/C33H47N7O6/c1-3-4-8-21-46-33(45)40-19-17-39(18-20-40)32(44)26(11-12-29(41)42)36-31(43)27-22-28(38-15-13-24(14-16-38)23-34-2)37-30(35-27)25-9-6-5-7-10-25/h5-7,9-10,22,24,26,34H,3-4,8,11-21,23H2,1-2H3,(H,36,43)(H,41,42)/t26-/m0/s1
Affinity DataKi:  1.20nMAssay Description:Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assayMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 12(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50302676((S)-4-(4-(2-methoxyethoxy)-6-phenylpyrimidine-2-ca...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1nc(OCCOC)cc(n1)-c1ccccc1
Show InChI InChI=1S/C29H39N5O8/c1-3-4-8-17-42-29(39)34-15-13-33(14-16-34)28(38)22(11-12-25(35)36)31-27(37)26-30-23(21-9-6-5-7-10-21)20-24(32-26)41-19-18-40-2/h5-7,9-10,20,22H,3-4,8,11-19H2,1-2H3,(H,31,37)(H,35,36)/t22-/m0/s1
Affinity DataKi:  1.20nMAssay Description:Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assayMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 12(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50302677((S)-4-(6-(2-methoxyethoxy)-2-phenylpyrimidine-4-ca...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OCCOC)nc(n1)-c1ccccc1
Show InChI InChI=1S/C29H39N5O8/c1-3-4-8-17-42-29(39)34-15-13-33(14-16-34)28(38)22(11-12-25(35)36)31-27(37)23-20-24(41-19-18-40-2)32-26(30-23)21-9-6-5-7-10-21/h5-7,9-10,20,22H,3-4,8,11-19H2,1-2H3,(H,31,37)(H,35,36)/t22-/m0/s1
Affinity DataKi:  1.20nMAssay Description:Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assayMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 12(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50306984((S)-4-(4-(4-(azetidine-1-carbonyl)piperidin-1-yl)-...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCC(CC1)C(=O)N1CCC1
Show InChI InChI=1S/C36H48N6O7/c1-2-3-7-23-49-36(48)42-21-19-41(20-22-42)35(47)29(11-12-32(43)44)38-33(45)31-25-28(24-30(37-31)26-9-5-4-6-10-26)39-17-13-27(14-18-39)34(46)40-15-8-16-40/h4-6,9-10,24-25,27,29H,2-3,7-8,11-23H2,1H3,(H,38,45)(H,43,44)/t29-/m0/s1
Affinity DataKi:  1.20nMAssay Description:Inhibition of human P2Y12 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 12(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50302660((S)-4-(6-(2-methoxyethylamino)-2-phenylpyrimidine-...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(NCCOC)nc(n1)-c1ccccc1
Show InChI InChI=1S/C29H40N6O7/c1-3-4-8-18-42-29(40)35-16-14-34(15-17-35)28(39)22(11-12-25(36)37)32-27(38)23-20-24(30-13-19-41-2)33-26(31-23)21-9-6-5-7-10-21/h5-7,9-10,20,22H,3-4,8,11-19H2,1-2H3,(H,32,38)(H,36,37)(H,30,31,33)/t22-/m0/s1
Affinity DataKi:  1.20nMAssay Description:Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assayMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 12(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50302655((S)-4-(6-(3-ethoxyazetidin-1-yl)-2-phenylpyrimidin...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CC(C1)OCC
Show InChI InChI=1S/C31H42N6O7/c1-3-5-9-18-44-31(42)36-16-14-35(15-17-36)30(41)24(12-13-27(38)39)33-29(40)25-19-26(37-20-23(21-37)43-4-2)34-28(32-25)22-10-7-6-8-11-22/h6-8,10-11,19,23-24H,3-5,9,12-18,20-21H2,1-2H3,(H,33,40)(H,38,39)/t24-/m0/s1
Affinity DataKi:  1.20nMAssay Description:Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assayMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 12(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50302640((S)-4-(6-(4-carbamoylpiperazin-1-yl)-2-phenylpyrim...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCN(CC1)C(N)=O
Show InChI InChI=1S/C31H42N8O7/c1-2-3-7-20-46-31(45)39-18-14-37(15-19-39)29(43)23(10-11-26(40)41)34-28(42)24-21-25(36-12-16-38(17-13-36)30(32)44)35-27(33-24)22-8-5-4-6-9-22/h4-6,8-9,21,23H,2-3,7,10-20H2,1H3,(H2,32,44)(H,34,42)(H,40,41)/t23-/m0/s1
Affinity DataKi:  1.20nMAssay Description:Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assayMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 12(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50302699((S)-5-(4-(butoxycarbonyl)piperazin-1-yl)-4-(6-(4-(...)
Show SMILES CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCC(CC1)C(=O)N(C)C
Show InChI InChI=1S/C33H45N7O7/c1-4-5-21-47-33(46)40-19-17-39(18-20-40)32(45)25(11-12-28(41)42)35-30(43)26-22-27(36-29(34-26)23-9-7-6-8-10-23)38-15-13-24(14-16-38)31(44)37(2)3/h6-10,22,24-25H,4-5,11-21H2,1-3H3,(H,35,43)(H,41,42)/t25-/m0/s1
Affinity DataKi:  1.30nMAssay Description:Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assayMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 12(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50302627((S)-5-(4-(butoxycarbonyl)piperazin-1-yl)-4-(6-(4-m...)
Show SMILES CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCC(CC1)N1CCOCC1
Show InChI InChI=1S/C34H47N7O7/c1-2-3-21-48-34(46)41-17-15-40(16-18-41)33(45)27(9-10-30(42)43)36-32(44)28-24-29(37-31(35-28)25-7-5-4-6-8-25)39-13-11-26(12-14-39)38-19-22-47-23-20-38/h4-8,24,26-27H,2-3,9-23H2,1H3,(H,36,44)(H,42,43)/t27-/m0/s1
Affinity DataKi:  1.30nMAssay Description:Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assayMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 12(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50307603((4S)4-[({4-[(1-Acetylpiperidin-4-yl)ethoxy]-6-phen...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OCC2CCN(CC2)C(C)=O)cc(n1)-c1ccccc1
Show InChI InChI=1S/C35H47N5O8/c1-3-4-8-21-47-35(46)40-19-17-39(18-20-40)34(45)29(11-12-32(42)43)37-33(44)31-23-28(22-30(36-31)27-9-6-5-7-10-27)48-24-26-13-15-38(16-14-26)25(2)41/h5-7,9-10,22-23,26,29H,3-4,8,11-21,24H2,1-2H3,(H,37,44)(H,42,43)/t29-/m0/s1
Affinity DataKi:  1.30nMAssay Description:Displacement of [33P]ADP from human recombinant P2Y12 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 12(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50307604((4S)4-{[(4-{[1-(Ethoxycarbonyl)piperidin-4-yl]meth...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OCC2CCN(CC2)C(=O)OCC)cc(n1)-c1ccccc1
Show InChI InChI=1S/C36H49N5O9/c1-3-5-9-22-49-36(47)41-20-18-39(19-21-41)34(45)29(12-13-32(42)43)38-33(44)31-24-28(23-30(37-31)27-10-7-6-8-11-27)50-25-26-14-16-40(17-15-26)35(46)48-4-2/h6-8,10-11,23-24,26,29H,3-5,9,12-22,25H2,1-2H3,(H,38,44)(H,42,43)/t29-/m0/s1
Affinity DataKi:  1.30nMAssay Description:Displacement of [33P]ADP from human recombinant P2Y12 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 12(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50306941((S)-5-oxo-5-(4-(pentyloxycarbonyl)piperazin-1-yl)-...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CC[C@H](C1)C(=O)N1CCCC1
Show InChI InChI=1S/C36H48N6O7/c1-2-3-9-22-49-36(48)41-20-18-40(19-21-41)35(47)29(12-13-32(43)44)38-33(45)31-24-28(23-30(37-31)26-10-5-4-6-11-26)42-17-14-27(25-42)34(46)39-15-7-8-16-39/h4-6,10-11,23-24,27,29H,2-3,7-9,12-22,25H2,1H3,(H,38,45)(H,43,44)/t27-,29+/m1/s1
Affinity DataKi:  1.40nMAssay Description:Inhibition of human P2Y12 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 12(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50302716((S)-5-(4-(butoxycarbonyl)piperazin-1-yl)-4-(6-(4-m...)
Show SMILES CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCC(CC1)OC
Show InChI InChI=1S/C31H42N6O7/c1-3-4-20-44-31(42)37-18-16-36(17-19-37)30(41)24(10-11-27(38)39)33-29(40)25-21-26(35-14-12-23(43-2)13-15-35)34-28(32-25)22-8-6-5-7-9-22/h5-9,21,23-24H,3-4,10-20H2,1-2H3,(H,33,40)(H,38,39)/t24-/m0/s1
Affinity DataKi:  1.40nMAssay Description:Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assayMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 12(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50307557((4S)4-{[(4-{[(2-Methoxyethoxy)carbonyl]amino}-6-ph...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c1cc(NC(=O)OCCOC)cc(n1)-c1ccccc1
Show InChI InChI=1S/C35H49N5O9/c1-6-7-11-20-48-34(45)40-18-16-39(17-19-40)32(43)27(14-15-30(41)49-35(2,3)4)38-31(42)29-24-26(36-33(44)47-22-21-46-5)23-28(37-29)25-12-9-8-10-13-25/h8-10,12-13,23-24,27H,6-7,11,14-22H2,1-5H3,(H,38,42)(H,36,37,44)/t27-/m0/s1
Affinity DataKi:  1.40nMAssay Description:Displacement of [33P]ADP from human recombinant P2Y12 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 12(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50307556((4S)5-Oxo-5-{4-[(pentyloxy)carbonyl]piperazin-1-yl...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c1cc(NC(=O)NCC2CCNCC2)cc(n1)-c1ccccc1
Show InChI InChI=1S/C38H55N7O7/c1-5-6-10-23-51-37(50)45-21-19-44(20-22-45)35(48)30(13-14-33(46)52-38(2,3)4)43-34(47)32-25-29(24-31(42-32)28-11-8-7-9-12-28)41-36(49)40-26-27-15-17-39-18-16-27/h7-9,11-12,24-25,27,30,39H,5-6,10,13-23,26H2,1-4H3,(H,43,47)(H2,40,41,42,49)/t30-/m0/s1
Affinity DataKi:  1.40nMAssay Description:Displacement of [33P]ADP from human recombinant P2Y12 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 12(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50307003((4S)5-[4-(Butoxycarbonyl)piperazin-1-yl]-5-oxo-4-[...)
Show SMILES CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCC(CN2CCCC2)CC1
Show InChI InChI=1S/C36H50N6O6/c1-2-3-23-48-36(47)42-21-19-41(20-22-42)35(46)30(11-12-33(43)44)38-34(45)32-25-29(24-31(37-32)28-9-5-4-6-10-28)40-17-13-27(14-18-40)26-39-15-7-8-16-39/h4-6,9-10,24-25,27,30H,2-3,7-8,11-23,26H2,1H3,(H,38,45)(H,43,44)/t30-/m0/s1
Affinity DataKi:  1.5nMAssay Description:Displacement of [33P]ADP from human recombinant P2Y12 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 12(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50307010((4S)4-{[(4-{4-[(Methylamino)ethyl]piperidin-1-yl}-...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCC(CNC)CC1
Show InChI InChI=1S/C34H48N6O6/c1-3-4-8-21-46-34(45)40-19-17-39(18-20-40)33(44)28(11-12-31(41)42)37-32(43)30-23-27(38-15-13-25(14-16-38)24-35-2)22-29(36-30)26-9-6-5-7-10-26/h5-7,9-10,22-23,25,28,35H,3-4,8,11-21,24H2,1-2H3,(H,37,43)(H,41,42)/t28-/m0/s1
Affinity DataKi:  1.5nMAssay Description:Displacement of [33P]ADP from human recombinant P2Y12 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 12(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50307663((4S)5-[4-(Butoxycarbonyl)piperazin-1-yl]-4-({[4-({...)
Show SMILES CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OC(=O)N2CCC(C2)OC)cc(n1)-c1ccccc1
Show InChI InChI=1S/C32H41N5O9/c1-3-4-18-45-31(42)36-16-14-35(15-17-36)30(41)25(10-11-28(38)39)34-29(40)27-20-24(19-26(33-27)22-8-6-5-7-9-22)46-32(43)37-13-12-23(21-37)44-2/h5-9,19-20,23,25H,3-4,10-18,21H2,1-2H3,(H,34,40)(H,38,39)/t23?,25-/m0/s1
Affinity DataKi:  1.5nMAssay Description:Displacement of [33P]ADP from human recombinant P2Y12 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 12(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50307662((4S)5-[4-(Butoxycarbonyl)iperazin-1-yl]-4-({[4-({[...)
Show SMILES CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OC(=O)N(C)CC2CCOCC2)cc(n1)-c1ccccc1
Show InChI InChI=1S/C34H45N5O9/c1-3-4-18-47-34(45)39-16-14-38(15-17-39)32(43)27(10-11-30(40)41)36-31(42)29-22-26(21-28(35-29)25-8-6-5-7-9-25)48-33(44)37(2)23-24-12-19-46-20-13-24/h5-9,21-22,24,27H,3-4,10-20,23H2,1-2H3,(H,36,42)(H,40,41)/t27-/m0/s1
Affinity DataKi:  1.5nMAssay Description:Displacement of [33P]ADP from human recombinant P2Y12 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 12(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50397156(CHEMBL2172129)
Show SMILES CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCc1nnn[nH]1)NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC2CCC2)n(n1)-c1ccccc1
Show InChI InChI=1S/C35H47N11O7/c1-2-3-21-52-35(51)44-19-17-43(18-20-44)34(50)26(14-15-29-38-41-42-39-29)37-32(48)27-22-31(46(40-27)25-11-5-4-6-12-25)53-23-30(47)45-16-8-13-28(45)33(49)36-24-9-7-10-24/h4-6,11-12,22,24,26,28H,2-3,7-10,13-21,23H2,1H3,(H,36,49)(H,37,48)(H,38,39,41,42)/t26-,28-/m0/s1
Affinity DataKi:  1.5nMAssay Description:Displacement of [33P]2-MeS-ADP from human recombinant P2Y12 receptor expressed in CHO cell membranes by scintillation counting methodMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 12(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50302629((S)-5-oxo-5-(4-(pentyloxycarbonyl)piperazin-1-yl)-...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C35H49N7O6/c1-2-3-9-24-48-35(47)42-22-20-41(21-23-42)34(46)28(12-13-31(43)44)37-33(45)29-25-30(38-32(36-29)26-10-5-4-6-11-26)40-18-14-27(15-19-40)39-16-7-8-17-39/h4-6,10-11,25,27-28H,2-3,7-9,12-24H2,1H3,(H,37,45)(H,43,44)/t28-/m0/s1
Affinity DataKi:  1.5nMAssay Description:Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assayMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 12(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50302694((S)-4-(6-(4-(diethylcarbamoyl)piperidin-1-yl)-2-ph...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCC(CC1)C(=O)N(CC)CC
Show InChI InChI=1S/C36H51N7O7/c1-4-7-11-24-50-36(49)43-22-20-42(21-23-43)35(48)28(14-15-31(44)45)38-33(46)29-25-30(39-32(37-29)26-12-9-8-10-13-26)41-18-16-27(17-19-41)34(47)40(5-2)6-3/h8-10,12-13,25,27-28H,4-7,11,14-24H2,1-3H3,(H,38,46)(H,44,45)/t28-/m0/s1
Affinity DataKi:  1.5nMAssay Description:Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assayMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 12(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50307010((4S)4-{[(4-{4-[(Methylamino)ethyl]piperidin-1-yl}-...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCC(CNC)CC1
Show InChI InChI=1S/C34H48N6O6/c1-3-4-8-21-46-34(45)40-19-17-39(18-20-40)33(44)28(11-12-31(41)42)37-32(43)30-23-27(38-15-13-25(14-16-38)24-35-2)22-29(36-30)26-9-6-5-7-10-26/h5-7,9-10,22-23,25,28,35H,3-4,8,11-21,24H2,1-2H3,(H,37,43)(H,41,42)/t28-/m0/s1
Affinity DataKi:  1.5nMAssay Description:Inhibition of human P2Y12 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 12(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50307008((S)-4-(4-(4-((ethylamino)methyl)piperidin-1-yl)-6-...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCC(CNCC)CC1
Show InChI InChI=1S/C35H50N6O6/c1-3-5-9-22-47-35(46)41-20-18-40(19-21-41)34(45)29(12-13-32(42)43)38-33(44)31-24-28(23-30(37-31)27-10-7-6-8-11-27)39-16-14-26(15-17-39)25-36-4-2/h6-8,10-11,23-24,26,29,36H,3-5,9,12-22,25H2,1-2H3,(H,38,44)(H,42,43)/t29-/m0/s1
Affinity DataKi:  1.5nMAssay Description:Inhibition of human P2Y12 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 12(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50307003((4S)5-[4-(Butoxycarbonyl)piperazin-1-yl]-5-oxo-4-[...)
Show SMILES CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCC(CN2CCCC2)CC1
Show InChI InChI=1S/C36H50N6O6/c1-2-3-23-48-36(47)42-21-19-41(20-22-42)35(46)30(11-12-33(43)44)38-34(45)32-25-29(24-31(37-32)28-9-5-4-6-10-28)40-17-13-27(14-18-40)26-39-15-7-8-16-39/h4-6,9-10,24-25,27,30H,2-3,7-8,11-23,26H2,1H3,(H,38,45)(H,43,44)/t30-/m0/s1
Affinity DataKi:  1.5nMAssay Description:Inhibition of human P2Y12 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
Displayed 1 to 50 (of 1918 total ) | Next | Last >>
Jump to: