Compile Data Set for Download or QSAR
Found 62 Enz. Inhib. hit(s) with all data for entry = 50042695
TargetP2Y purinoceptor 1(Homo sapiens (Human))
Bristol-Myers Squibb Research and Development

Curated by ChEMBL
LigandPNGBDBM50429537(CHEMBL2333770)
Show SMILES CC(C)(C)c1ccccc1Oc1ncccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C23H22F3N3O3/c1-22(2,3)17-7-4-5-9-19(17)31-20-18(8-6-14-27-20)29-21(30)28-15-10-12-16(13-11-15)32-23(24,25)26/h4-14H,1-3H3,(H2,28,29,30)
Affinity DataKi:  6nMAssay Description:Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor transfected in HEK293 cells assessed as residual [beta-33P] bound to plate after 1 hr by...More data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Homo sapiens (Human))
Bristol-Myers Squibb Research and Development

Curated by ChEMBL
LigandPNGBDBM50429535(CHEMBL2333772)
Show SMILES CC(C)c1ccccc1Oc1ncccc1NC(=O)Nc1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C25H29N3O2/c1-17(2)20-9-6-7-11-22(20)30-23-21(10-8-16-26-23)28-24(29)27-19-14-12-18(13-15-19)25(3,4)5/h6-17H,1-5H3,(H2,27,28,29)
Affinity DataKi:  7nMAssay Description:Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor transfected in HEK293 cells assessed as residual [beta-33P] bound to plate after 1 hr by...More data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Homo sapiens (Human))
Bristol-Myers Squibb Research and Development

Curated by ChEMBL
LigandPNGBDBM50429541(CHEMBL2333766)
Show SMILES Cc1ccc(NC(=O)Nc2cccnc2Oc2ccccc2C(C)(C)C)cc1
Show InChI InChI=1S/C23H25N3O2/c1-16-11-13-17(14-12-16)25-22(27)26-19-9-7-15-24-21(19)28-20-10-6-5-8-18(20)23(2,3)4/h5-15H,1-4H3,(H2,25,26,27)
Affinity DataKi:  7nMAssay Description:Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor transfected in HEK293 cells assessed as residual [beta-33P] bound to plate after 1 hr by...More data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Homo sapiens (Human))
Bristol-Myers Squibb Research and Development

Curated by ChEMBL
LigandPNGBDBM50429536(CHEMBL2333771)
Show SMILES CC(C)(C)c1ccc(NC(=O)Nc2cccnc2Oc2ccccc2C(C)(C)C)cc1
Show InChI InChI=1S/C26H31N3O2/c1-25(2,3)18-13-15-19(16-14-18)28-24(30)29-21-11-9-17-27-23(21)31-22-12-8-7-10-20(22)26(4,5)6/h7-17H,1-6H3,(H2,28,29,30)
Affinity DataKi:  8nMAssay Description:Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor transfected in HEK293 cells assessed as residual [beta-33P] bound to plate after 1 hr by...More data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Homo sapiens (Human))
Bristol-Myers Squibb Research and Development

Curated by ChEMBL
LigandPNGBDBM50429534(CHEMBL2333773)
Show SMILES CC(C)c1ccccc1Oc1ncccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C22H20F3N3O3/c1-14(2)17-6-3-4-8-19(17)30-20-18(7-5-13-26-20)28-21(29)27-15-9-11-16(12-10-15)31-22(23,24)25/h3-14H,1-2H3,(H2,27,28,29)
Affinity DataKi:  16nMAssay Description:Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor transfected in HEK293 cells assessed as residual [beta-33P] bound to plate after 1 hr by...More data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Homo sapiens (Human))
Bristol-Myers Squibb Research and Development

Curated by ChEMBL
LigandPNGBDBM50429548(CHEMBL2333759)
Show SMILES CC(C)(C)c1ccccc1Oc1ncccc1NC(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C22H21F2N3O2/c1-22(2,3)15-7-4-5-9-19(15)29-20-18(8-6-12-25-20)27-21(28)26-17-11-10-14(23)13-16(17)24/h4-13H,1-3H3,(H2,26,27,28)
Affinity DataKi:  18nMAssay Description:Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor transfected in HEK293 cells assessed as residual [beta-33P] bound to plate after 1 hr by...More data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Homo sapiens (Human))
Bristol-Myers Squibb Research and Development

Curated by ChEMBL
LigandPNGBDBM50429538(CHEMBL2333767)
Show SMILES Cc1ccc(NC(=O)Nc2cccnc2Sc2ccccc2C(C)(C)C)cc1
Show InChI InChI=1S/C23H25N3OS/c1-16-11-13-17(14-12-16)25-22(27)26-19-9-7-15-24-21(19)28-20-10-6-5-8-18(20)23(2,3)4/h5-15H,1-4H3,(H2,25,26,27)
Affinity DataKi:  20nMAssay Description:Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor transfected in HEK293 cells assessed as residual [beta-33P] bound to plate after 1 hr by...More data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Homo sapiens (Human))
Bristol-Myers Squibb Research and Development

Curated by ChEMBL
LigandPNGBDBM50429557(CHEMBL2333357)
Show SMILES COc1ccc(NC(=O)Nc2cccnc2Oc2cccc(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C20H16F3N3O3/c1-28-15-9-7-14(8-10-15)25-19(27)26-17-6-3-11-24-18(17)29-16-5-2-4-13(12-16)20(21,22)23/h2-12H,1H3,(H2,25,26,27)
Affinity DataKi:  21nMAssay Description:Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor transfected in HEK293 cells assessed as residual [beta-33P] bound to plate after 1 hr by...More data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Homo sapiens (Human))
Bristol-Myers Squibb Research and Development

Curated by ChEMBL
LigandPNGBDBM50429558(CHEMBL2333356)
Show SMILES FC(F)(F)c1cccc(Oc2ncccc2NC(=O)Nc2ccc(cc2)-c2ccccc2)c1
Show InChI InChI=1S/C25H18F3N3O2/c26-25(27,28)19-8-4-9-21(16-19)33-23-22(10-5-15-29-23)31-24(32)30-20-13-11-18(12-14-20)17-6-2-1-3-7-17/h1-16H,(H2,30,31,32)
Affinity DataKi:  28nMAssay Description:Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor transfected in HEK293 cells assessed as residual [beta-33P] bound to plate after 1 hr by...More data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Homo sapiens (Human))
Bristol-Myers Squibb Research and Development

Curated by ChEMBL
LigandPNGBDBM50429546(CHEMBL2333761)
Show SMILES CC(C)c1ccccc1Oc1ncccc1NC(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C21H19F2N3O2/c1-13(2)15-6-3-4-8-19(15)28-20-18(7-5-11-24-20)26-21(27)25-17-10-9-14(22)12-16(17)23/h3-13H,1-2H3,(H2,25,26,27)
Affinity DataKi:  28nMAssay Description:Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor transfected in HEK293 cells assessed as residual [beta-33P] bound to plate after 1 hr by...More data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Homo sapiens (Human))
Bristol-Myers Squibb Research and Development

Curated by ChEMBL
LigandPNGBDBM50429560(CHEMBL2333354)
Show SMILES CC(C)(C)c1ccc(NC(=O)Nc2cccnc2Oc2cccc(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C23H22F3N3O2/c1-22(2,3)15-9-11-17(12-10-15)28-21(30)29-19-8-5-13-27-20(19)31-18-7-4-6-16(14-18)23(24,25)26/h4-14H,1-3H3,(H2,28,29,30)
Affinity DataKi:  31nMAssay Description:Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor transfected in HEK293 cells assessed as residual [beta-33P] bound to plate after 1 hr by...More data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Homo sapiens (Human))
Bristol-Myers Squibb Research and Development

Curated by ChEMBL
LigandPNGBDBM50429547(CHEMBL2333760)
Show SMILES CC(C)(C)c1cccc(Oc2ncccc2NC(=O)Nc2ccc(F)cc2F)c1
Show InChI InChI=1S/C22H21F2N3O2/c1-22(2,3)14-6-4-7-16(12-14)29-20-19(8-5-11-25-20)27-21(28)26-18-10-9-15(23)13-17(18)24/h4-13H,1-3H3,(H2,26,27,28)
Affinity DataKi:  33nMAssay Description:Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor transfected in HEK293 cells assessed as residual [beta-33P] bound to plate after 1 hr by...More data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Homo sapiens (Human))
Bristol-Myers Squibb Research and Development

Curated by ChEMBL
LigandPNGBDBM50429567(CHEMBL2333776)
Show SMILES Fc1ccccc1NC(=O)Nc1cccnc1Oc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C19H13F4N3O2/c20-14-7-1-2-8-15(14)25-18(27)26-16-9-4-10-24-17(16)28-13-6-3-5-12(11-13)19(21,22)23/h1-11H,(H2,25,26,27)
Affinity DataKi:  47nMAssay Description:Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor transfected in HEK293 cells assessed as residual [beta-33P] bound to plate after 1 hr by...More data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Homo sapiens (Human))
Bristol-Myers Squibb Research and Development

Curated by ChEMBL
LigandPNGBDBM50429561(CHEMBL2333353)
Show SMILES Cc1ccc(NC(=O)Nc2cccnc2Oc2cccc(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C20H16F3N3O2/c1-13-7-9-15(10-8-13)25-19(27)26-17-6-3-11-24-18(17)28-16-5-2-4-14(12-16)20(21,22)23/h2-12H,1H3,(H2,25,26,27)
Affinity DataKi:  48nMAssay Description:Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor transfected in HEK293 cells assessed as residual [beta-33P] bound to plate after 1 hr by...More data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Homo sapiens (Human))
Bristol-Myers Squibb Research and Development

Curated by ChEMBL
LigandPNGBDBM50429562(CHEMBL2333352)
Show SMILES FC(F)(F)c1cccc(Oc2ncccc2NC(=O)Nc2ccc(Cl)cc2)c1
Show InChI InChI=1S/C19H13ClF3N3O2/c20-13-6-8-14(9-7-13)25-18(27)26-16-5-2-10-24-17(16)28-15-4-1-3-12(11-15)19(21,22)23/h1-11H,(H2,25,26,27)
Affinity DataKi:  69nMAssay Description:Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor transfected in HEK293 cells assessed as residual [beta-33P] bound to plate after 1 hr by...More data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Homo sapiens (Human))
Bristol-Myers Squibb Research and Development

Curated by ChEMBL
LigandPNGBDBM50429569(CHEMBL2333774)
Show SMILES Fc1ccc(NC(=O)Nc2cccnc2Oc2cccc(c2)C(F)(F)F)c(F)c1
Show InChI InChI=1S/C19H12F5N3O2/c20-12-6-7-15(14(21)10-12)26-18(28)27-16-5-2-8-25-17(16)29-13-4-1-3-11(9-13)19(22,23)24/h1-10H,(H2,26,27,28)
Affinity DataKi:  75nMAssay Description:Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor transfected in HEK293 cells assessed as residual [beta-33P] bound to plate after 1 hr by...More data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Homo sapiens (Human))
Bristol-Myers Squibb Research and Development

Curated by ChEMBL
LigandPNGBDBM50429545(CHEMBL2333762)
Show SMILES CCc1ccccc1Oc1ncccc1NC(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C20H17F2N3O2/c1-2-13-6-3-4-8-18(13)27-19-17(7-5-11-23-19)25-20(26)24-16-10-9-14(21)12-15(16)22/h3-12H,2H2,1H3,(H2,24,25,26)
Affinity DataKi:  77nMAssay Description:Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor transfected in HEK293 cells assessed as residual [beta-33P] bound to plate after 1 hr by...More data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Homo sapiens (Human))
Bristol-Myers Squibb Research and Development

Curated by ChEMBL
LigandPNGBDBM50429553(CHEMBL2333361)
Show SMILES FC(F)(F)c1cccc(Oc2ncccc2NC(=O)Nc2ccc(Cl)c(Cl)c2)c1
Show InChI InChI=1S/C19H12Cl2F3N3O2/c20-14-7-6-12(10-15(14)21)26-18(28)27-16-5-2-8-25-17(16)29-13-4-1-3-11(9-13)19(22,23)24/h1-10H,(H2,26,27,28)
Affinity DataKi:  84nMAssay Description:Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor transfected in HEK293 cells assessed as residual [beta-33P] bound to plate after 1 hr by...More data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Homo sapiens (Human))
Bristol-Myers Squibb Research and Development

Curated by ChEMBL
LigandPNGBDBM50429564(CHEMBL2333350)
Show SMILES FC(F)(F)c1cccc(Oc2ncccc2NC(=O)Nc2cccc(Cl)c2)c1
Show InChI InChI=1S/C19H13ClF3N3O2/c20-13-5-2-6-14(11-13)25-18(27)26-16-8-3-9-24-17(16)28-15-7-1-4-12(10-15)19(21,22)23/h1-11H,(H2,25,26,27)
Affinity DataKi:  128nMAssay Description:Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor transfected in HEK293 cells assessed as residual [beta-33P] bound to plate after 1 hr by...More data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Homo sapiens (Human))
Bristol-Myers Squibb Research and Development

Curated by ChEMBL
LigandPNGBDBM50429563(CHEMBL2333351)
Show SMILES Fc1ccc(NC(=O)Nc2cccnc2Oc2cccc(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C19H13F4N3O2/c20-13-6-8-14(9-7-13)25-18(27)26-16-5-2-10-24-17(16)28-15-4-1-3-12(11-15)19(21,22)23/h1-11H,(H2,25,26,27)
Affinity DataKi:  145nMAssay Description:Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor transfected in HEK293 cells assessed as residual [beta-33P] bound to plate after 1 hr by...More data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Homo sapiens (Human))
Bristol-Myers Squibb Research and Development

Curated by ChEMBL
LigandPNGBDBM50429552(CHEMBL2333756)
Show SMILES FC(F)(F)c1cccc(Oc2ncccc2NC(=O)Nc2cc(Cl)cc(Cl)c2)c1
Show InChI InChI=1S/C19H12Cl2F3N3O2/c20-12-8-13(21)10-14(9-12)26-18(28)27-16-5-2-6-25-17(16)29-15-4-1-3-11(7-15)19(22,23)24/h1-10H,(H2,26,27,28)
Affinity DataKi:  169nMAssay Description:Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor transfected in HEK293 cells assessed as residual [beta-33P] bound to plate after 1 hr by...More data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Homo sapiens (Human))
Bristol-Myers Squibb Research and Development

Curated by ChEMBL
LigandPNGBDBM50429568(CHEMBL2333775)
Show SMILES FC(F)(F)c1cccc(Oc2ncccc2NC(=O)Nc2ccccc2)c1
Show InChI InChI=1S/C19H14F3N3O2/c20-19(21,22)13-6-4-9-15(12-13)27-17-16(10-5-11-23-17)25-18(26)24-14-7-2-1-3-8-14/h1-12H,(H2,24,25,26)
Affinity DataKi:  171nMAssay Description:Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor transfected in HEK293 cells assessed as residual [beta-33P] bound to plate after 1 hr by...More data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Homo sapiens (Human))
Bristol-Myers Squibb Research and Development

Curated by ChEMBL
LigandPNGBDBM50429544(CHEMBL2333763)
Show SMILES Fc1ccc(NC(=O)Nc2cccnc2Oc2ccccc2C(F)(F)F)c(F)c1
Show InChI InChI=1S/C19H12F5N3O2/c20-11-7-8-14(13(21)10-11)26-18(28)27-15-5-3-9-25-17(15)29-16-6-2-1-4-12(16)19(22,23)24/h1-10H,(H2,26,27,28)
Affinity DataKi:  172nMAssay Description:Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor transfected in HEK293 cells assessed as residual [beta-33P] bound to plate after 1 hr by...More data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Homo sapiens (Human))
Bristol-Myers Squibb Research and Development

Curated by ChEMBL
LigandPNGBDBM50429540(CHEMBL2333768)
Show SMILES Cc1ccc(NC(=O)Nc2cccnc2Nc2ccccc2C(C)(C)C)cc1
Show InChI InChI=1S/C23H26N4O/c1-16-11-13-17(14-12-16)25-22(28)27-20-10-7-15-24-21(20)26-19-9-6-5-8-18(19)23(2,3)4/h5-15H,1-4H3,(H,24,26)(H2,25,27,28)
Affinity DataKi:  175nMAssay Description:Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor transfected in HEK293 cells assessed as residual [beta-33P] bound to plate after 1 hr by...More data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Homo sapiens (Human))
Bristol-Myers Squibb Research and Development

Curated by ChEMBL
LigandPNGBDBM50429559(CHEMBL2333355)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)Nc2cccnc2Oc2cccc(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C20H13F6N3O3/c21-19(22,23)12-3-1-4-15(11-12)31-17-16(5-2-10-27-17)29-18(30)28-13-6-8-14(9-7-13)32-20(24,25)26/h1-11H,(H2,28,29,30)
Affinity DataKi:  313nMAssay Description:Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor transfected in HEK293 cells assessed as residual [beta-33P] bound to plate after 1 hr by...More data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Homo sapiens (Human))
Bristol-Myers Squibb Research and Development

Curated by ChEMBL
LigandPNGBDBM50429556(CHEMBL2333358)
Show SMILES CN(C)c1ccc(NC(=O)Nc2cccnc2Oc2cccc(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C21H19F3N4O2/c1-28(2)16-10-8-15(9-11-16)26-20(29)27-18-7-4-12-25-19(18)30-17-6-3-5-14(13-17)21(22,23)24/h3-13H,1-2H3,(H2,26,27,29)
Affinity DataKi:  506nMAssay Description:Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor transfected in HEK293 cells assessed as residual [beta-33P] bound to plate after 1 hr by...More data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Homo sapiens (Human))
Bristol-Myers Squibb Research and Development

Curated by ChEMBL
LigandPNGBDBM50429555(CHEMBL2333359)
Show SMILES FC(F)(F)c1cccc(Oc2ncccc2NC(=O)Nc2ccc(cc2)C#N)c1
Show InChI InChI=1S/C20H13F3N4O2/c21-20(22,23)14-3-1-4-16(11-14)29-18-17(5-2-10-25-18)27-19(28)26-15-8-6-13(12-24)7-9-15/h1-11H,(H2,26,27,28)
Affinity DataKi:  571nMAssay Description:Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor transfected in HEK293 cells assessed as residual [beta-33P] bound to plate after 1 hr by...More data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Homo sapiens (Human))
Bristol-Myers Squibb Research and Development

Curated by ChEMBL
LigandPNGBDBM50429565(CHEMBL2333349)
Show SMILES Fc1cccc(NC(=O)Nc2cccnc2Oc2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C19H13F4N3O2/c20-13-5-2-6-14(11-13)25-18(27)26-16-8-3-9-24-17(16)28-15-7-1-4-12(10-15)19(21,22)23/h1-11H,(H2,25,26,27)
Affinity DataKi:  607nMAssay Description:Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor transfected in HEK293 cells assessed as residual [beta-33P] bound to plate after 1 hr by...More data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Homo sapiens (Human))
Bristol-Myers Squibb Research and Development

Curated by ChEMBL
LigandPNGBDBM50429554(CHEMBL2333360)
Show SMILES COC(=O)c1ccc(NC(=O)Nc2cccnc2Oc2cccc(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C21H16F3N3O4/c1-30-19(28)13-7-9-15(10-8-13)26-20(29)27-17-6-3-11-25-18(17)31-16-5-2-4-14(12-16)21(22,23)24/h2-12H,1H3,(H2,26,27,29)
Affinity DataKi:  644nMAssay Description:Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor transfected in HEK293 cells assessed as residual [beta-33P] bound to plate after 1 hr by...More data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Homo sapiens (Human))
Bristol-Myers Squibb Research and Development

Curated by ChEMBL
LigandPNGBDBM50429549(CHEMBL2333758)
Show SMILES Fc1ccc(NC(=O)Nc2cccnc2Oc2ccccc2)c(F)c1
Show InChI InChI=1S/C18H13F2N3O2/c19-12-8-9-15(14(20)11-12)22-18(24)23-16-7-4-10-21-17(16)25-13-5-2-1-3-6-13/h1-11H,(H2,22,23,24)
Affinity DataKi:  2.00E+3nMAssay Description:Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor transfected in HEK293 cells assessed as residual [beta-33P] bound to plate after 1 hr by...More data for this Ligand-Target Pair
TargetP2Y purinoceptor 14(Homo sapiens (Human))
Bristol-Myers Squibb Research and Development

Curated by ChEMBL
LigandPNGBDBM50429538(CHEMBL2333767)
Show SMILES Cc1ccc(NC(=O)Nc2cccnc2Sc2ccccc2C(C)(C)C)cc1
Show InChI InChI=1S/C23H25N3OS/c1-16-11-13-17(14-12-16)25-22(27)26-19-9-7-15-24-21(19)28-20-10-6-5-8-18(20)23(2,3)4/h5-15H,1-4H3,(H2,25,26,27)
Affinity DataKi:  2.35E+3nMAssay Description:Inhibition of human P2Y14 receptorMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 2(Homo sapiens (Human))
Bristol-Myers Squibb Research and Development

Curated by ChEMBL
LigandPNGBDBM50429538(CHEMBL2333767)
Show SMILES Cc1ccc(NC(=O)Nc2cccnc2Sc2ccccc2C(C)(C)C)cc1
Show InChI InChI=1S/C23H25N3OS/c1-16-11-13-17(14-12-16)25-22(27)26-19-9-7-15-24-21(19)28-20-10-6-5-8-18(20)23(2,3)4/h5-15H,1-4H3,(H2,25,26,27)
Affinity DataKi:  2.70E+3nMAssay Description:Inhibition of human P2Y2 receptorMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 14(Homo sapiens (Human))
Bristol-Myers Squibb Research and Development

Curated by ChEMBL
LigandPNGBDBM50429534(CHEMBL2333773)
Show SMILES CC(C)c1ccccc1Oc1ncccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C22H20F3N3O3/c1-14(2)17-6-3-4-8-19(17)30-20-18(7-5-13-26-20)28-21(29)27-15-9-11-16(12-10-15)31-22(23,24)25/h3-14H,1-2H3,(H2,27,28,29)
Affinity DataKi:  3.30E+3nMAssay Description:Inhibition of human P2Y14 receptorMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 14(Homo sapiens (Human))
Bristol-Myers Squibb Research and Development

Curated by ChEMBL
LigandPNGBDBM50429537(CHEMBL2333770)
Show SMILES CC(C)(C)c1ccccc1Oc1ncccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C23H22F3N3O3/c1-22(2,3)17-7-4-5-9-19(17)31-20-18(8-6-14-27-20)29-21(30)28-15-10-12-16(13-11-15)32-23(24,25)26/h4-14H,1-3H3,(H2,28,29,30)
Affinity DataKi:  3.50E+3nMAssay Description:Inhibition of human P2Y14 receptorMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Homo sapiens (Human))
Bristol-Myers Squibb Research and Development

Curated by ChEMBL
LigandPNGBDBM50429543(CHEMBL2333764)
Show SMILES Fc1ccc(NC(=O)Nc2cccnc2Oc2ccc(cc2)C(F)(F)F)c(F)c1
Show InChI InChI=1S/C19H12F5N3O2/c20-12-5-8-15(14(21)10-12)26-18(28)27-16-2-1-9-25-17(16)29-13-6-3-11(4-7-13)19(22,23)24/h1-10H,(H2,26,27,28)
Affinity DataKi: >5.00E+3nMAssay Description:Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor transfected in HEK293 cells assessed as residual [beta-33P] bound to plate after 1 hr by...More data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Homo sapiens (Human))
Bristol-Myers Squibb Research and Development

Curated by ChEMBL
LigandPNGBDBM50429542(CHEMBL2333765)
Show SMILES Cc1ccc(Oc2ncccc2NC(=O)Nc2ccc(F)cc2F)cc1
Show InChI InChI=1S/C19H15F2N3O2/c1-12-4-7-14(8-5-12)26-18-17(3-2-10-22-18)24-19(25)23-16-9-6-13(20)11-15(16)21/h2-11H,1H3,(H2,23,24,25)
Affinity DataKi: >5.00E+3nMAssay Description:Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor transfected in HEK293 cells assessed as residual [beta-33P] bound to plate after 1 hr by...More data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Homo sapiens (Human))
Bristol-Myers Squibb Research and Development

Curated by ChEMBL
LigandPNGBDBM50429539(CHEMBL2333769)
Show SMILES CN(c1ccccc1C(C)(C)C)c1ncccc1NC(=O)Nc1ccc(C)cc1
Show InChI InChI=1S/C24H28N4O/c1-17-12-14-18(15-13-17)26-23(29)27-20-10-8-16-25-22(20)28(5)21-11-7-6-9-19(21)24(2,3)4/h6-16H,1-5H3,(H2,26,27,29)
Affinity DataKi: >5.00E+3nMAssay Description:Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor transfected in HEK293 cells assessed as residual [beta-33P] bound to plate after 1 hr by...More data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Homo sapiens (Human))
Bristol-Myers Squibb Research and Development

Curated by ChEMBL
LigandPNGBDBM50429551(CHEMBL2333757)
Show SMILES FC(F)(F)c1cccc(Oc2ncccc2NC(=O)NCc2ccccc2)c1
Show InChI InChI=1S/C20H16F3N3O2/c21-20(22,23)15-8-4-9-16(12-15)28-18-17(10-5-11-24-18)26-19(27)25-13-14-6-2-1-3-7-14/h1-12H,13H2,(H2,25,26,27)
Affinity DataKi: >5.00E+3nMAssay Description:Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor transfected in HEK293 cells assessed as residual [beta-33P] bound to plate after 1 hr by...More data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Homo sapiens (Human))
Bristol-Myers Squibb Research and Development

Curated by ChEMBL
LigandPNGBDBM50429566(CHEMBL2333348)
Show SMILES FC(F)(F)c1cccc(Oc2ncccc2NC(=O)Nc2ccccc2Cl)c1
Show InChI InChI=1S/C19H13ClF3N3O2/c20-14-7-1-2-8-15(14)25-18(27)26-16-9-4-10-24-17(16)28-13-6-3-5-12(11-13)19(21,22)23/h1-11H,(H2,25,26,27)
Affinity DataKi: >5.00E+3nMAssay Description:Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor transfected in HEK293 cells assessed as residual [beta-33P] bound to plate after 1 hr by...More data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Homo sapiens (Human))
Bristol-Myers Squibb Research and Development

Curated by ChEMBL
LigandPNGBDBM50429550(CHEMBL2331579)
Show SMILES FC(F)(F)c1cccc(Oc2ncccc2NC(=O)NCCc2ccccc2)c1
Show InChI InChI=1S/C21H18F3N3O2/c22-21(23,24)16-8-4-9-17(14-16)29-19-18(10-5-12-25-19)27-20(28)26-13-11-15-6-2-1-3-7-15/h1-10,12,14H,11,13H2,(H2,26,27,28)
Affinity DataKi: >5.00E+3nMAssay Description:Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor transfected in HEK293 cells assessed as residual [beta-33P] bound to plate after 1 hr by...More data for this Ligand-Target Pair
TargetP2Y purinoceptor 14(Homo sapiens (Human))
Bristol-Myers Squibb Research and Development

Curated by ChEMBL
LigandPNGBDBM50429536(CHEMBL2333771)
Show SMILES CC(C)(C)c1ccc(NC(=O)Nc2cccnc2Oc2ccccc2C(C)(C)C)cc1
Show InChI InChI=1S/C26H31N3O2/c1-25(2,3)18-13-15-19(16-14-18)28-24(30)29-21-11-9-17-27-23(21)31-22-12-8-7-10-20(22)26(4,5)6/h7-17H,1-6H3,(H2,28,29,30)
Affinity DataKi:  5.95E+3nMAssay Description:Inhibition of human P2Y14 receptorMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 2(Homo sapiens (Human))
Bristol-Myers Squibb Research and Development

Curated by ChEMBL
LigandPNGBDBM50429534(CHEMBL2333773)
Show SMILES CC(C)c1ccccc1Oc1ncccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C22H20F3N3O3/c1-14(2)17-6-3-4-8-19(17)30-20-18(7-5-13-26-20)28-21(29)27-15-9-11-16(12-10-15)31-22(23,24)25/h3-14H,1-2H3,(H2,27,28,29)
Affinity DataKi:  6.40E+3nMAssay Description:Inhibition of human P2Y2 receptorMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 6(Homo sapiens (Human))
Bristol-Myers Squibb Research and Development

Curated by ChEMBL
LigandPNGBDBM50429534(CHEMBL2333773)
Show SMILES CC(C)c1ccccc1Oc1ncccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C22H20F3N3O3/c1-14(2)17-6-3-4-8-19(17)30-20-18(7-5-13-26-20)28-21(29)27-15-9-11-16(12-10-15)31-22(23,24)25/h3-14H,1-2H3,(H2,27,28,29)
Affinity DataKi: >1.50E+4nMAssay Description:Inhibition of human P2Y6 receptorMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 2(Homo sapiens (Human))
Bristol-Myers Squibb Research and Development

Curated by ChEMBL
LigandPNGBDBM50429535(CHEMBL2333772)
Show SMILES CC(C)c1ccccc1Oc1ncccc1NC(=O)Nc1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C25H29N3O2/c1-17(2)20-9-6-7-11-22(20)30-23-21(10-8-16-26-23)28-24(29)27-19-14-12-18(13-15-19)25(3,4)5/h6-17H,1-5H3,(H2,27,28,29)
Affinity DataKi: >1.50E+4nMAssay Description:Inhibition of human P2Y2 receptorMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 2(Homo sapiens (Human))
Bristol-Myers Squibb Research and Development

Curated by ChEMBL
LigandPNGBDBM50429536(CHEMBL2333771)
Show SMILES CC(C)(C)c1ccc(NC(=O)Nc2cccnc2Oc2ccccc2C(C)(C)C)cc1
Show InChI InChI=1S/C26H31N3O2/c1-25(2,3)18-13-15-19(16-14-18)28-24(30)29-21-11-9-17-27-23(21)31-22-12-8-7-10-20(22)26(4,5)6/h7-17H,1-6H3,(H2,28,29,30)
Affinity DataKi: >1.50E+4nMAssay Description:Inhibition of human P2Y2 receptorMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 2(Homo sapiens (Human))
Bristol-Myers Squibb Research and Development

Curated by ChEMBL
LigandPNGBDBM50429537(CHEMBL2333770)
Show SMILES CC(C)(C)c1ccccc1Oc1ncccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C23H22F3N3O3/c1-22(2,3)17-7-4-5-9-19(17)31-20-18(8-6-14-27-20)29-21(30)28-15-10-12-16(13-11-15)32-23(24,25)26/h4-14H,1-3H3,(H2,28,29,30)
Affinity DataKi: >1.50E+4nMAssay Description:Inhibition of human P2Y2 receptorMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 11(Homo sapiens (Human))
Bristol-Myers Squibb Research and Development

Curated by ChEMBL
LigandPNGBDBM50429538(CHEMBL2333767)
Show SMILES Cc1ccc(NC(=O)Nc2cccnc2Sc2ccccc2C(C)(C)C)cc1
Show InChI InChI=1S/C23H25N3OS/c1-16-11-13-17(14-12-16)25-22(27)26-19-9-7-15-24-21(19)28-20-10-6-5-8-18(20)23(2,3)4/h5-15H,1-4H3,(H2,25,26,27)
Affinity DataKi: >1.50E+4nMAssay Description:Inhibition of human P2Y11 receptorMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 11(Homo sapiens (Human))
Bristol-Myers Squibb Research and Development

Curated by ChEMBL
LigandPNGBDBM50429537(CHEMBL2333770)
Show SMILES CC(C)(C)c1ccccc1Oc1ncccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C23H22F3N3O3/c1-22(2,3)17-7-4-5-9-19(17)31-20-18(8-6-14-27-20)29-21(30)28-15-10-12-16(13-11-15)32-23(24,25)26/h4-14H,1-3H3,(H2,28,29,30)
Affinity DataKi: >1.50E+4nMAssay Description:Inhibition of human P2Y11 receptorMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 6(Homo sapiens (Human))
Bristol-Myers Squibb Research and Development

Curated by ChEMBL
LigandPNGBDBM50429535(CHEMBL2333772)
Show SMILES CC(C)c1ccccc1Oc1ncccc1NC(=O)Nc1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C25H29N3O2/c1-17(2)20-9-6-7-11-22(20)30-23-21(10-8-16-26-23)28-24(29)27-19-14-12-18(13-15-19)25(3,4)5/h6-17H,1-5H3,(H2,27,28,29)
Affinity DataKi: >1.50E+4nMAssay Description:Inhibition of human P2Y6 receptorMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 6(Homo sapiens (Human))
Bristol-Myers Squibb Research and Development

Curated by ChEMBL
LigandPNGBDBM50429538(CHEMBL2333767)
Show SMILES Cc1ccc(NC(=O)Nc2cccnc2Sc2ccccc2C(C)(C)C)cc1
Show InChI InChI=1S/C23H25N3OS/c1-16-11-13-17(14-12-16)25-22(27)26-19-9-7-15-24-21(19)28-20-10-6-5-8-18(20)23(2,3)4/h5-15H,1-4H3,(H2,25,26,27)
Affinity DataKi: >1.50E+4nMAssay Description:Inhibition of human P2Y6 receptorMore data for this Ligand-Target Pair
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