Compile Data Set for Download or QSAR
Found 161 with Last Name = 'kortum' and Initial = 'sw'
TargetP2Y purinoceptor 12(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50302437(3-(3-(4-(4-(biphenylcarbonyl)piperazin-1-yl)-6-eth...)
Show SMILES CCc1cc2c(nc(NC(=O)NCCC(O)=O)nc2s1)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C29H30N6O4S/c1-2-22-18-23-25(31-28(32-26(23)40-22)33-29(39)30-13-12-24(36)37)34-14-16-35(17-15-34)27(38)21-10-8-20(9-11-21)19-6-4-3-5-7-19/h3-11,18H,2,12-17H2,1H3,(H,36,37)(H2,30,31,32,33,39)
Affinity DataKi:  3nMAssay Description:Binding affinity to human recombinant P2Y12 receptor expressed on CHO cell membraneMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 12(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50302449((2R,5S)-1-(4-(4-(biphenylcarbonyl)piperazin-1-yl)-...)
Show SMILES CCc1cc2c(nc(nc2s1)N1[C@H](CC[C@H]1C(N)=O)C(N)=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C31H33N7O3S/c1-2-22-18-23-28(34-31(35-29(23)42-22)38-24(26(32)39)12-13-25(38)27(33)40)36-14-16-37(17-15-36)30(41)21-10-8-20(9-11-21)19-6-4-3-5-7-19/h3-11,18,24-25H,2,12-17H2,1H3,(H2,32,39)(H2,33,40)/t24-,25+
Affinity DataKi:  4nMAssay Description:Binding affinity to human recombinant P2Y12 receptor expressed on CHO cell membraneMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 12(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50302452((2S,4S)-1-(4-(4-(biphenylcarbonyl)piperazin-1-yl)-...)
Show SMILES CCc1cc2c(nc(nc2s1)N1C[C@@H](O)C[C@H]1C(O)=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C30H31N5O4S/c1-2-23-17-24-26(31-30(32-27(24)40-23)35-18-22(36)16-25(35)29(38)39)33-12-14-34(15-13-33)28(37)21-10-8-20(9-11-21)19-6-4-3-5-7-19/h3-11,17,22,25,36H,2,12-16,18H2,1H3,(H,38,39)/t22-,25-/m0/s1
Affinity DataKi:  5nMAssay Description:Binding affinity to human recombinant P2Y12 receptor expressed on CHO cell membraneMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 12(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50302457(3-(4-(4-(biphenylcarbonyl)piperazin-1-yl)-6-ethylt...)
Show SMILES CCc1cc2c(nc(NCCC(O)=O)nc2s1)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C28H29N5O3S/c1-2-22-18-23-25(30-28(31-26(23)37-22)29-13-12-24(34)35)32-14-16-33(17-15-32)27(36)21-10-8-20(9-11-21)19-6-4-3-5-7-19/h3-11,18H,2,12-17H2,1H3,(H,34,35)(H,29,30,31)
Affinity DataKi:  8nMAssay Description:Binding affinity to human recombinant P2Y12 receptor expressed on CHO cell membraneMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 12(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50302437(3-(3-(4-(4-(biphenylcarbonyl)piperazin-1-yl)-6-eth...)
Show SMILES CCc1cc2c(nc(NC(=O)NCCC(O)=O)nc2s1)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C29H30N6O4S/c1-2-22-18-23-25(31-28(32-26(23)40-22)33-29(39)30-13-12-24(36)37)34-14-16-35(17-15-34)27(38)21-10-8-20(9-11-21)19-6-4-3-5-7-19/h3-11,18H,2,12-17H2,1H3,(H,36,37)(H2,30,31,32,33,39)
Affinity DataKi:  10nMAssay Description:Binding affinity to human recombinant P2Y12 receptor expressed in CHO cell membrane in presence of HSA and human AGPMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 12(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50302459((R)-biphenyl-4-yl(4-(2-(2,3-dihydroxypropylamino)-...)
Show SMILES CCc1cc2c(nc(NC[C@@H](O)CO)nc2s1)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C28H31N5O3S/c1-2-23-16-24-25(30-28(31-26(24)37-23)29-17-22(35)18-34)32-12-14-33(15-13-32)27(36)21-10-8-20(9-11-21)19-6-4-3-5-7-19/h3-11,16,22,34-35H,2,12-15,17-18H2,1H3,(H,29,30,31)/t22-/m1/s1
Affinity DataKi:  19nMAssay Description:Binding affinity to human recombinant P2Y12 receptor expressed on CHO cell membraneMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 12(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50302449((2R,5S)-1-(4-(4-(biphenylcarbonyl)piperazin-1-yl)-...)
Show SMILES CCc1cc2c(nc(nc2s1)N1[C@H](CC[C@H]1C(N)=O)C(N)=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C31H33N7O3S/c1-2-22-18-23-28(34-31(35-29(23)42-22)38-24(26(32)39)12-13-25(38)27(33)40)36-14-16-37(17-15-36)30(41)21-10-8-20(9-11-21)19-6-4-3-5-7-19/h3-11,18,24-25H,2,12-17H2,1H3,(H2,32,39)(H2,33,40)/t24-,25+
Affinity DataKi:  21nMAssay Description:Binding affinity to human recombinant P2Y12 receptor expressed in CHO cell membrane in presence of HSA and human AGPMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 12(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50302451(CHEMBL568566 | biphenyl-4-yl(4-(6-ethyl-2-(3-hydro...)
Show SMILES CCc1cc2c(nc(nc2s1)N1CC(O)C1)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C28H29N5O2S/c1-2-23-16-24-25(29-28(30-26(24)36-23)33-17-22(34)18-33)31-12-14-32(15-13-31)27(35)21-10-8-20(9-11-21)19-6-4-3-5-7-19/h3-11,16,22,34H,2,12-15,17-18H2,1H3
Affinity DataKi:  27nMAssay Description:Binding affinity to human recombinant P2Y12 receptor expressed on CHO cell membraneMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 12(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50302434(CHEMBL585852 | biphenyl-4-yl(4-(6-ethylthieno[2,3-...)
Show SMILES CCc1cc2c(ncnc2s1)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C25H24N4OS/c1-2-21-16-22-23(26-17-27-24(22)31-21)28-12-14-29(15-13-28)25(30)20-10-8-19(9-11-20)18-6-4-3-5-7-18/h3-11,16-17H,2,12-15H2,1H3
Affinity DataKi:  29nMAssay Description:Binding affinity to human recombinant P2Y12 receptor expressed on CHO cell membraneMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 12(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50302452((2S,4S)-1-(4-(4-(biphenylcarbonyl)piperazin-1-yl)-...)
Show SMILES CCc1cc2c(nc(nc2s1)N1C[C@@H](O)C[C@H]1C(O)=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C30H31N5O4S/c1-2-23-17-24-26(31-30(32-27(24)40-23)35-18-22(36)16-25(35)29(38)39)33-12-14-34(15-13-33)28(37)21-10-8-20(9-11-21)19-6-4-3-5-7-19/h3-11,17,22,25,36H,2,12-16,18H2,1H3,(H,38,39)/t22-,25-/m0/s1
Affinity DataKi:  31nMAssay Description:Binding affinity to human recombinant P2Y12 receptor expressed in CHO cell membrane in presence of HSA and human AGPMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 12(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50302453(1-(4-(4-(biphenylcarbonyl)piperazin-1-yl)-6-ethylt...)
Show SMILES CCc1cc2c(nc(nc2s1)N1CCCC(C1)C(N)=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C31H34N6O2S/c1-2-25-19-26-28(33-31(34-29(26)40-25)37-14-6-9-24(20-37)27(32)38)35-15-17-36(18-16-35)30(39)23-12-10-22(11-13-23)21-7-4-3-5-8-21/h3-5,7-8,10-13,19,24H,2,6,9,14-18,20H2,1H3,(H2,32,38)
Affinity DataKi:  31nMAssay Description:Binding affinity to human recombinant P2Y12 receptor expressed on CHO cell membraneMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 12(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50302458(CHEMBL585948 | biphenyl-4-yl(4-(6-ethyl-2-(3-hydro...)
Show SMILES CCc1cc2c(nc(nc2s1)N1CCC(O)C1)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C29H31N5O2S/c1-2-24-18-25-26(30-29(31-27(25)37-24)34-13-12-23(35)19-34)32-14-16-33(17-15-32)28(36)22-10-8-21(9-11-22)20-6-4-3-5-7-20/h3-11,18,23,35H,2,12-17,19H2,1H3
Affinity DataKi:  35nMAssay Description:Binding affinity to human recombinant P2Y12 receptor expressed on CHO cell membraneMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 12(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50302446(3-(3-(6-ethyl-4-(4-isobutyrylpiperazin-1-yl)thieno...)
Show SMILES CCc1cc2c(nc(NC(=O)NCCC(O)=O)nc2s1)N1CCN(CC1)C(=O)C(C)C
Show InChI InChI=1S/C20H28N6O4S/c1-4-13-11-14-16(25-7-9-26(10-8-25)18(29)12(2)3)22-19(23-17(14)31-13)24-20(30)21-6-5-15(27)28/h11-12H,4-10H2,1-3H3,(H,27,28)(H2,21,22,23,24,30)
Affinity DataKi:  36nMAssay Description:Binding affinity to human recombinant P2Y12 receptor expressed on CHO cell membraneMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 12(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50302454(CHEMBL565618 | biphenyl-4-yl(4-(6-ethyl-2-(2-hydro...)
Show SMILES CCc1cc2c(nc(NCCO)nc2s1)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C27H29N5O2S/c1-2-22-18-23-24(29-27(28-12-17-33)30-25(23)35-22)31-13-15-32(16-14-31)26(34)21-10-8-20(9-11-21)19-6-4-3-5-7-19/h3-11,18,33H,2,12-17H2,1H3,(H,28,29,30)
Affinity DataKi:  37nMAssay Description:Binding affinity to human recombinant P2Y12 receptor expressed on CHO cell membraneMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 12(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50302444(3-(3-(6-ethyl-4-(4-(5-phenylpicolinoyl)piperazin-1...)
Show SMILES CCc1cc2c(nc(NC(=O)NCCC(O)=O)nc2s1)N1CCN(CC1)C(=O)c1ccc(cn1)-c1ccccc1
Show InChI InChI=1S/C28H29N7O4S/c1-2-20-16-21-24(31-27(32-25(21)40-20)33-28(39)29-11-10-23(36)37)34-12-14-35(15-13-34)26(38)22-9-8-19(17-30-22)18-6-4-3-5-7-18/h3-9,16-17H,2,10-15H2,1H3,(H,36,37)(H2,29,31,32,33,39)
Affinity DataKi:  37nMAssay Description:Binding affinity to human recombinant P2Y12 receptor expressed on CHO cell membraneMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 12(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50302446(3-(3-(6-ethyl-4-(4-isobutyrylpiperazin-1-yl)thieno...)
Show SMILES CCc1cc2c(nc(NC(=O)NCCC(O)=O)nc2s1)N1CCN(CC1)C(=O)C(C)C
Show InChI InChI=1S/C20H28N6O4S/c1-4-13-11-14-16(25-7-9-26(10-8-25)18(29)12(2)3)22-19(23-17(14)31-13)24-20(30)21-6-5-15(27)28/h11-12H,4-10H2,1-3H3,(H,27,28)(H2,21,22,23,24,30)
Affinity DataKi:  46nMAssay Description:Binding affinity to human recombinant P2Y12 receptor expressed in CHO cell membrane in presence of HSA and human AGPMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 12(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50302441(3-(3-(4-(4-(2-(3,4-difluorophenyl)acetyl)piperazin...)
Show SMILES CCc1cc2c(nc(NC(=O)NCCC(O)=O)nc2s1)N1CCN(CC1)C(=O)Cc1ccc(F)c(F)c1
Show InChI InChI=1S/C24H26F2N6O4S/c1-2-15-13-16-21(28-23(29-22(16)37-15)30-24(36)27-6-5-20(34)35)32-9-7-31(8-10-32)19(33)12-14-3-4-17(25)18(26)11-14/h3-4,11,13H,2,5-10,12H2,1H3,(H,34,35)(H2,27,28,29,30,36)
Affinity DataKi:  68nMAssay Description:Binding affinity to human recombinant P2Y12 receptor expressed on CHO cell membraneMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 12(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50302459((R)-biphenyl-4-yl(4-(2-(2,3-dihydroxypropylamino)-...)
Show SMILES CCc1cc2c(nc(NC[C@@H](O)CO)nc2s1)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C28H31N5O3S/c1-2-23-16-24-25(30-28(31-26(24)37-23)29-17-22(35)18-34)32-12-14-33(15-13-32)27(36)21-10-8-20(9-11-21)19-6-4-3-5-7-19/h3-11,16,22,34-35H,2,12-15,17-18H2,1H3,(H,29,30,31)/t22-/m1/s1
Affinity DataKi:  75nMAssay Description:Binding affinity to human recombinant P2Y12 receptor expressed in CHO cell membrane in presence of HSA and human AGPMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 12(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50302450(CHEMBL585317 | biphenyl-4-yl(4-(6-ethyl-2-(3-hydro...)
Show SMILES CCc1cc2c(nc(NCCCO)nc2s1)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C28H31N5O2S/c1-2-23-19-24-25(30-28(29-13-6-18-34)31-26(24)36-23)32-14-16-33(17-15-32)27(35)22-11-9-21(10-12-22)20-7-4-3-5-8-20/h3-5,7-12,19,34H,2,6,13-18H2,1H3,(H,29,30,31)
Affinity DataKi:  78nMAssay Description:Binding affinity to human recombinant P2Y12 receptor expressed on CHO cell membraneMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 12(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50302457(3-(4-(4-(biphenylcarbonyl)piperazin-1-yl)-6-ethylt...)
Show SMILES CCc1cc2c(nc(NCCC(O)=O)nc2s1)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C28H29N5O3S/c1-2-22-18-23-25(30-28(31-26(23)37-22)29-13-12-24(34)35)32-14-16-33(17-15-32)27(36)21-10-8-20(9-11-21)19-6-4-3-5-7-19/h3-11,18H,2,12-17H2,1H3,(H,34,35)(H,29,30,31)
Affinity DataKi:  122nMAssay Description:Binding affinity to human recombinant P2Y12 receptor expressed in CHO cell membrane in presence of HSA and human AGPMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 12(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50302432(CHEMBL566447 | naphthalen-1-yl 4-(6-ethylthieno[2,...)
Show SMILES CCc1cc2c(ncnc2s1)N1CCN(CC1)C(=O)Oc1cccc2ccccc12
Show InChI InChI=1S/C23H22N4O2S/c1-2-17-14-19-21(24-15-25-22(19)30-17)26-10-12-27(13-11-26)23(28)29-20-9-5-7-16-6-3-4-8-18(16)20/h3-9,14-15H,2,10-13H2,1H3
Affinity DataKi:  130nMAssay Description:Binding affinity to human recombinant P2Y12 receptor expressed on CHO cell membraneMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 12(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50302441(3-(3-(4-(4-(2-(3,4-difluorophenyl)acetyl)piperazin...)
Show SMILES CCc1cc2c(nc(NC(=O)NCCC(O)=O)nc2s1)N1CCN(CC1)C(=O)Cc1ccc(F)c(F)c1
Show InChI InChI=1S/C24H26F2N6O4S/c1-2-15-13-16-21(28-23(29-22(16)37-15)30-24(36)27-6-5-20(34)35)32-9-7-31(8-10-32)19(33)12-14-3-4-17(25)18(26)11-14/h3-4,11,13H,2,5-10,12H2,1H3,(H,34,35)(H2,27,28,29,30,36)
Affinity DataKi:  140nMAssay Description:Binding affinity to human recombinant P2Y12 receptor expressed in CHO cell membrane in presence of HSA and human AGPMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 12(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50302444(3-(3-(6-ethyl-4-(4-(5-phenylpicolinoyl)piperazin-1...)
Show SMILES CCc1cc2c(nc(NC(=O)NCCC(O)=O)nc2s1)N1CCN(CC1)C(=O)c1ccc(cn1)-c1ccccc1
Show InChI InChI=1S/C28H29N7O4S/c1-2-20-16-21-24(31-27(32-25(21)40-20)33-28(39)29-11-10-23(36)37)34-12-14-35(15-13-34)26(38)22-9-8-19(17-30-22)18-6-4-3-5-7-18/h3-9,16-17H,2,10-15H2,1H3,(H,36,37)(H2,29,31,32,33,39)
Affinity DataKi:  161nMAssay Description:Binding affinity to human recombinant P2Y12 receptor expressed in CHO cell membrane in presence of HSA and human AGPMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 12(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50302454(CHEMBL565618 | biphenyl-4-yl(4-(6-ethyl-2-(2-hydro...)
Show SMILES CCc1cc2c(nc(NCCO)nc2s1)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C27H29N5O2S/c1-2-22-18-23-24(29-27(28-12-17-33)30-25(23)35-22)31-13-15-32(16-14-31)26(34)21-10-8-20(9-11-21)19-6-4-3-5-7-19/h3-11,18,33H,2,12-17H2,1H3,(H,28,29,30)
Affinity DataKi:  163nMAssay Description:Binding affinity to human recombinant P2Y12 receptor expressed in CHO cell membrane in presence of HSA and human AGPMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 12(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50302442(3-(3-(6-ethyl-4-(4-(3,3,3-trifluoropropanoyl)piper...)
Show SMILES CCc1cc2c(nc(NC(=O)NCCC(O)=O)nc2s1)N1CCN(CC1)C(=O)CC(F)(F)F
Show InChI InChI=1S/C19H23F3N6O4S/c1-2-11-9-12-15(28-7-5-27(6-8-28)13(29)10-19(20,21)22)24-17(25-16(12)33-11)26-18(32)23-4-3-14(30)31/h9H,2-8,10H2,1H3,(H,30,31)(H2,23,24,25,26,32)
Affinity DataKi:  172nMAssay Description:Binding affinity to human recombinant P2Y12 receptor expressed in CHO cell membrane in presence of HSA and human AGPMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 12(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50302442(3-(3-(6-ethyl-4-(4-(3,3,3-trifluoropropanoyl)piper...)
Show SMILES CCc1cc2c(nc(NC(=O)NCCC(O)=O)nc2s1)N1CCN(CC1)C(=O)CC(F)(F)F
Show InChI InChI=1S/C19H23F3N6O4S/c1-2-11-9-12-15(28-7-5-27(6-8-28)13(29)10-19(20,21)22)24-17(25-16(12)33-11)26-18(32)23-4-3-14(30)31/h9H,2-8,10H2,1H3,(H,30,31)(H2,23,24,25,26,32)
Affinity DataKi:  177nMAssay Description:Binding affinity to human recombinant P2Y12 receptor expressed on CHO cell membraneMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 12(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50302443(3-(3-(6-ethyl-4-(4-(2-(3-methoxyphenoxy)acetyl)pip...)
Show SMILES CCc1cc2c(nc(NC(=O)NCCC(O)=O)nc2s1)N1CCN(CC1)C(=O)COc1cccc(OC)c1
Show InChI InChI=1S/C25H30N6O6S/c1-3-18-14-19-22(27-24(28-23(19)38-18)29-25(35)26-8-7-21(33)34)31-11-9-30(10-12-31)20(32)15-37-17-6-4-5-16(13-17)36-2/h4-6,13-14H,3,7-12,15H2,1-2H3,(H,33,34)(H2,26,27,28,29,35)
Affinity DataKi:  191nMAssay Description:Binding affinity to human recombinant P2Y12 receptor expressed on CHO cell membraneMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 12(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50302453(1-(4-(4-(biphenylcarbonyl)piperazin-1-yl)-6-ethylt...)
Show SMILES CCc1cc2c(nc(nc2s1)N1CCCC(C1)C(N)=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C31H34N6O2S/c1-2-25-19-26-28(33-31(34-29(26)40-25)37-14-6-9-24(20-37)27(32)38)35-15-17-36(18-16-35)30(39)23-12-10-22(11-13-23)21-7-4-3-5-8-21/h3-5,7-8,10-13,19,24H,2,6,9,14-18,20H2,1H3,(H2,32,38)
Affinity DataKi:  203nMAssay Description:Binding affinity to human recombinant P2Y12 receptor expressed in CHO cell membrane in presence of HSA and human AGPMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 12(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50302438(3-(3-(6-ethyl-4-(4-(3-phenoxypropanoyl)piperazin-1...)
Show SMILES CCc1cc2c(nc(NC(=O)NCCC(O)=O)nc2s1)N1CCN(CC1)C(=O)CCOc1ccccc1
Show InChI InChI=1S/C25H30N6O5S/c1-2-18-16-19-22(27-24(28-23(19)37-18)29-25(35)26-10-8-21(33)34)31-13-11-30(12-14-31)20(32)9-15-36-17-6-4-3-5-7-17/h3-7,16H,2,8-15H2,1H3,(H,33,34)(H2,26,27,28,29,35)
Affinity DataKi:  213nMAssay Description:Binding affinity to human recombinant P2Y12 receptor expressed on CHO cell membraneMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 12(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50302447(3-(3-(6-ethyl-4-(4-(2-phenylacetyl)piperazin-1-yl)...)
Show SMILES CCc1cc2c(nc(NC(=O)NCCC(O)=O)nc2s1)N1CCN(CC1)C(=O)Cc1ccccc1
Show InChI InChI=1S/C24H28N6O4S/c1-2-17-15-18-21(26-23(27-22(18)35-17)28-24(34)25-9-8-20(32)33)30-12-10-29(11-13-30)19(31)14-16-6-4-3-5-7-16/h3-7,15H,2,8-14H2,1H3,(H,32,33)(H2,25,26,27,28,34)
Affinity DataKi:  223nMAssay Description:Binding affinity to human recombinant P2Y12 receptor expressed on CHO cell membraneMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 12(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50302447(3-(3-(6-ethyl-4-(4-(2-phenylacetyl)piperazin-1-yl)...)
Show SMILES CCc1cc2c(nc(NC(=O)NCCC(O)=O)nc2s1)N1CCN(CC1)C(=O)Cc1ccccc1
Show InChI InChI=1S/C24H28N6O4S/c1-2-17-15-18-21(26-23(27-22(18)35-17)28-24(34)25-9-8-20(32)33)30-12-10-29(11-13-30)19(31)14-16-6-4-3-5-7-16/h3-7,15H,2,8-14H2,1H3,(H,32,33)(H2,25,26,27,28,34)
Affinity DataKi:  231nMAssay Description:Binding affinity to human recombinant P2Y12 receptor expressed in CHO cell membrane in presence of HSA and human AGPMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 12(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50302456((4-(2-(4-aminopiperidin-1-yl)-6-ethylthieno[2,3-d]...)
Show SMILES CCc1cc2c(nc(nc2s1)N1CCC(N)CC1)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C30H34N6OS/c1-2-25-20-26-27(32-30(33-28(26)38-25)36-14-12-24(31)13-15-36)34-16-18-35(19-17-34)29(37)23-10-8-22(9-11-23)21-6-4-3-5-7-21/h3-11,20,24H,2,12-19,31H2,1H3
Affinity DataKi:  240nMAssay Description:Binding affinity to human recombinant P2Y12 receptor expressed on CHO cell membraneMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 12(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50302458(CHEMBL585948 | biphenyl-4-yl(4-(6-ethyl-2-(3-hydro...)
Show SMILES CCc1cc2c(nc(nc2s1)N1CCC(O)C1)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C29H31N5O2S/c1-2-24-18-25-26(30-29(31-27(25)37-24)34-13-12-23(35)19-34)32-14-16-33(17-15-32)28(36)22-10-8-21(9-11-22)20-6-4-3-5-7-20/h3-11,18,23,35H,2,12-17,19H2,1H3
Affinity DataKi:  241nMAssay Description:Binding affinity to human recombinant P2Y12 receptor expressed in CHO cell membrane in presence of HSA and human AGPMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 12(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50302440(3-(3-(6-ethyl-4-(4-propionylpiperazin-1-yl)thieno[...)
Show SMILES CCC(=O)N1CCN(CC1)c1nc(NC(=O)NCCC(O)=O)nc2sc(CC)cc12
Show InChI InChI=1S/C19H26N6O4S/c1-3-12-11-13-16(25-9-7-24(8-10-25)14(26)4-2)21-18(22-17(13)30-12)23-19(29)20-6-5-15(27)28/h11H,3-10H2,1-2H3,(H,27,28)(H2,20,21,22,23,29)
Affinity DataKi:  295nMAssay Description:Binding affinity to human recombinant P2Y12 receptor expressed on CHO cell membraneMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 12(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50302451(CHEMBL568566 | biphenyl-4-yl(4-(6-ethyl-2-(3-hydro...)
Show SMILES CCc1cc2c(nc(nc2s1)N1CC(O)C1)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C28H29N5O2S/c1-2-23-16-24-25(29-28(30-26(24)36-23)33-17-22(34)18-33)31-12-14-32(15-13-31)27(35)21-10-8-20(9-11-21)19-6-4-3-5-7-19/h3-11,16,22,34H,2,12-15,17-18H2,1H3
Affinity DataKi:  297nMAssay Description:Binding affinity to human recombinant P2Y12 receptor expressed in CHO cell membrane in presence of HSA and human AGPMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 12(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50302456((4-(2-(4-aminopiperidin-1-yl)-6-ethylthieno[2,3-d]...)
Show SMILES CCc1cc2c(nc(nc2s1)N1CCC(N)CC1)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C30H34N6OS/c1-2-25-20-26-27(32-30(33-28(26)38-25)36-14-12-24(31)13-15-36)34-16-18-35(19-17-34)29(37)23-10-8-22(9-11-23)21-6-4-3-5-7-21/h3-11,20,24H,2,12-19,31H2,1H3
Affinity DataKi:  325nMAssay Description:Binding affinity to human recombinant P2Y12 receptor expressed in CHO cell membrane in presence of HSA and human AGPMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 12(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50302440(3-(3-(6-ethyl-4-(4-propionylpiperazin-1-yl)thieno[...)
Show SMILES CCC(=O)N1CCN(CC1)c1nc(NC(=O)NCCC(O)=O)nc2sc(CC)cc12
Show InChI InChI=1S/C19H26N6O4S/c1-3-12-11-13-16(25-9-7-24(8-10-25)14(26)4-2)21-18(22-17(13)30-12)23-19(29)20-6-5-15(27)28/h11H,3-10H2,1-2H3,(H,27,28)(H2,20,21,22,23,29)
Affinity DataKi:  367nMAssay Description:Binding affinity to human recombinant P2Y12 receptor expressed in CHO cell membrane in presence of HSA and human AGPMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 12(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50302439(3-(3-(4-(4-acetylpiperazin-1-yl)-6-ethylthieno[2,3...)
Show SMILES CCc1cc2c(nc(NC(=O)NCCC(O)=O)nc2s1)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C18H24N6O4S/c1-3-12-10-13-15(24-8-6-23(7-9-24)11(2)25)20-17(21-16(13)29-12)22-18(28)19-5-4-14(26)27/h10H,3-9H2,1-2H3,(H,26,27)(H2,19,20,21,22,28)
Affinity DataKi:  380nMAssay Description:Binding affinity to human recombinant P2Y12 receptor expressed in CHO cell membrane in presence of HSA and human AGPMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 12(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50302448(CHEMBL566037 | biphenyl-4-yl(4-(6-ethyl-2-(piperaz...)
Show SMILES CCc1cc2c(nc(nc2s1)N1CCNCC1)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C29H32N6OS/c1-2-24-20-25-26(31-29(32-27(25)37-24)35-14-12-30-13-15-35)33-16-18-34(19-17-33)28(36)23-10-8-22(9-11-23)21-6-4-3-5-7-21/h3-11,20,30H,2,12-19H2,1H3
Affinity DataKi:  397nMAssay Description:Binding affinity to human recombinant P2Y12 receptor expressed in CHO cell membrane in presence of HSA and human AGPMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 12(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50302448(CHEMBL566037 | biphenyl-4-yl(4-(6-ethyl-2-(piperaz...)
Show SMILES CCc1cc2c(nc(nc2s1)N1CCNCC1)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C29H32N6OS/c1-2-24-20-25-26(31-29(32-27(25)37-24)35-14-12-30-13-15-35)33-16-18-34(19-17-33)28(36)23-10-8-22(9-11-23)21-6-4-3-5-7-21/h3-11,20,30H,2,12-19H2,1H3
Affinity DataKi:  410nMAssay Description:Binding affinity to human recombinant P2Y12 receptor expressed on CHO cell membraneMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 12(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50302450(CHEMBL585317 | biphenyl-4-yl(4-(6-ethyl-2-(3-hydro...)
Show SMILES CCc1cc2c(nc(NCCCO)nc2s1)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C28H31N5O2S/c1-2-23-19-24-25(30-28(29-13-6-18-34)31-26(24)36-23)32-14-16-33(17-15-32)27(35)22-11-9-21(10-12-22)20-7-4-3-5-8-20/h3-5,7-12,19,34H,2,6,13-18H2,1H3,(H,29,30,31)
Affinity DataKi:  441nMAssay Description:Binding affinity to human recombinant P2Y12 receptor expressed in CHO cell membrane in presence of HSA and human AGPMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 12(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50302443(3-(3-(6-ethyl-4-(4-(2-(3-methoxyphenoxy)acetyl)pip...)
Show SMILES CCc1cc2c(nc(NC(=O)NCCC(O)=O)nc2s1)N1CCN(CC1)C(=O)COc1cccc(OC)c1
Show InChI InChI=1S/C25H30N6O6S/c1-3-18-14-19-22(27-24(28-23(19)38-18)29-25(35)26-8-7-21(33)34)31-11-9-30(10-12-31)20(32)15-37-17-6-4-5-16(13-17)36-2/h4-6,13-14H,3,7-12,15H2,1-2H3,(H,33,34)(H2,26,27,28,29,35)
Affinity DataKi:  447nMAssay Description:Binding affinity to human recombinant P2Y12 receptor expressed in CHO cell membrane in presence of HSA and human AGPMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 12(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50302439(3-(3-(4-(4-acetylpiperazin-1-yl)-6-ethylthieno[2,3...)
Show SMILES CCc1cc2c(nc(NC(=O)NCCC(O)=O)nc2s1)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C18H24N6O4S/c1-3-12-10-13-15(24-8-6-23(7-9-24)11(2)25)20-17(21-16(13)29-12)22-18(28)19-5-4-14(26)27/h10H,3-9H2,1-2H3,(H,26,27)(H2,19,20,21,22,28)
Affinity DataKi:  460nMAssay Description:Binding affinity to human recombinant P2Y12 receptor expressed on CHO cell membraneMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 12(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50302445(3-(3-(6-ethyl-4-(4-(2-phenoxyacetyl)piperazin-1-yl...)
Show SMILES CCc1cc2c(nc(NC(=O)NCCC(O)=O)nc2s1)N1CCN(CC1)C(=O)COc1ccccc1
Show InChI InChI=1S/C24H28N6O5S/c1-2-17-14-18-21(26-23(27-22(18)36-17)28-24(34)25-9-8-20(32)33)30-12-10-29(11-13-30)19(31)15-35-16-6-4-3-5-7-16/h3-7,14H,2,8-13,15H2,1H3,(H,32,33)(H2,25,26,27,28,34)
Affinity DataKi:  539nMAssay Description:Binding affinity to human recombinant P2Y12 receptor expressed on CHO cell membraneMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 12(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50302445(3-(3-(6-ethyl-4-(4-(2-phenoxyacetyl)piperazin-1-yl...)
Show SMILES CCc1cc2c(nc(NC(=O)NCCC(O)=O)nc2s1)N1CCN(CC1)C(=O)COc1ccccc1
Show InChI InChI=1S/C24H28N6O5S/c1-2-17-14-18-21(26-23(27-22(18)36-17)28-24(34)25-9-8-20(32)33)30-12-10-29(11-13-30)19(31)15-35-16-6-4-3-5-7-16/h3-7,14H,2,8-13,15H2,1H3,(H,32,33)(H2,25,26,27,28,34)
Affinity DataKi:  593nMAssay Description:Binding affinity to human recombinant P2Y12 receptor expressed in CHO cell membrane in presence of HSA and human AGPMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 12(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50302431(1-(4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin...)
Show SMILES CCc1cc2c(ncnc2s1)N1CCN(CC1)C(=O)Cc1ccccc1
Show InChI InChI=1S/C20H22N4OS/c1-2-16-13-17-19(21-14-22-20(17)26-16)24-10-8-23(9-11-24)18(25)12-15-6-4-3-5-7-15/h3-7,13-14H,2,8-12H2,1H3
Affinity DataKi:  660nMAssay Description:Binding affinity to human recombinant P2Y12 receptor expressed on CHO cell membraneMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 12(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50302438(3-(3-(6-ethyl-4-(4-(3-phenoxypropanoyl)piperazin-1...)
Show SMILES CCc1cc2c(nc(NC(=O)NCCC(O)=O)nc2s1)N1CCN(CC1)C(=O)CCOc1ccccc1
Show InChI InChI=1S/C25H30N6O5S/c1-2-18-16-19-22(27-24(28-23(19)37-18)29-25(35)26-10-8-21(33)34)31-13-11-30(12-14-31)20(32)9-15-36-17-6-4-3-5-7-17/h3-7,16H,2,8-15H2,1H3,(H,33,34)(H2,26,27,28,29,35)
Affinity DataKi:  783nMAssay Description:Binding affinity to human recombinant P2Y12 receptor expressed in CHO cell membrane in presence of HSA and human AGPMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 12(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50302455(1-(4-(4-(4-(biphenylcarbonyl)piperazin-1-yl)-6-eth...)
Show SMILES CCc1cc2c(nc(nc2s1)N1CCN(CC1)C(=O)C(F)(F)F)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C31H31F3N6O2S/c1-2-24-20-25-26(35-30(36-27(25)43-24)40-18-16-39(17-19-40)29(42)31(32,33)34)37-12-14-38(15-13-37)28(41)23-10-8-22(9-11-23)21-6-4-3-5-7-21/h3-11,20H,2,12-19H2,1H3
Affinity DataKi:  839nMAssay Description:Binding affinity to human recombinant P2Y12 receptor expressed on CHO cell membraneMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 12(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50302455(1-(4-(4-(4-(biphenylcarbonyl)piperazin-1-yl)-6-eth...)
Show SMILES CCc1cc2c(nc(nc2s1)N1CCN(CC1)C(=O)C(F)(F)F)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C31H31F3N6O2S/c1-2-24-20-25-26(35-30(36-27(25)43-24)40-18-16-39(17-19-40)29(42)31(32,33)34)37-12-14-38(15-13-37)28(41)23-10-8-22(9-11-23)21-6-4-3-5-7-21/h3-11,20H,2,12-19H2,1H3
Affinity DataKi:  1.81E+3nMAssay Description:Binding affinity to human recombinant P2Y12 receptor expressed in CHO cell membrane in presence of HSA and human AGPMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 12(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50302433(1-(4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin...)
Show SMILES CCc1cc2c(ncnc2s1)N1CCN(CC1)C(=O)CC(C)C
Show InChI InChI=1S/C17H24N4OS/c1-4-13-10-14-16(18-11-19-17(14)23-13)21-7-5-20(6-8-21)15(22)9-12(2)3/h10-12H,4-9H2,1-3H3
Affinity DataKi:  2.10E+3nMAssay Description:Binding affinity to human recombinant P2Y12 receptor expressed on CHO cell membraneMore data for this Ligand-Target Pair
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