Found 38 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50019017
(CHEMBL3288123)Show SMILES CCCC(=O)c1cc(C#N)c(nc1SC)N1CCC(CC1)C(=O)NS(=O)(=O)C1(CC1)c1ccccc1 Show InChI InChI=1S/C26H30N4O4S2/c1-3-7-22(31)21-16-19(17-27)23(28-25(21)35-2)30-14-10-18(11-15-30)24(32)29-36(33,34)26(12-13-26)20-8-5-4-6-9-20/h4-6,8-9,16,18H,3,7,10-15H2,1-2H3,(H,29,32) | PDB
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity P2Y12 receptor in human washed platelets assessed as inhibition of ADP-induced platelet aggregation after 5 to 90 mins by spectro... |
Bioorg Med Chem Lett 24: 2963-8 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.001
BindingDB Entry DOI: 10.7270/Q24X59CQ |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50019017
(CHEMBL3288123)Show SMILES CCCC(=O)c1cc(C#N)c(nc1SC)N1CCC(CC1)C(=O)NS(=O)(=O)C1(CC1)c1ccccc1 Show InChI InChI=1S/C26H30N4O4S2/c1-3-7-22(31)21-16-19(17-27)23(28-25(21)35-2)30-14-10-18(11-15-30)24(32)29-36(33,34)26(12-13-26)20-8-5-4-6-9-20/h4-6,8-9,16,18H,3,7,10-15H2,1-2H3,(H,29,32) | PDB
Reactome pathway
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [125I]AZ11931285 from human P2Y12 receptor expressed in CHOK1 cell membrane after 60 mins |
Bioorg Med Chem Lett 24: 2963-8 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.001
BindingDB Entry DOI: 10.7270/Q24X59CQ |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50439277
(CHEMBL2419490)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)C(=O)NS(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C23H26N4O5S/c1-3-32-23(29)20-13-19(14-24)21(25-16(20)2)27-11-9-18(10-12-27)22(28)26-33(30,31)15-17-7-5-4-6-8-17/h4-8,13,18H,3,9-12,15H2,1-2H3,(H,26,28) | PDB
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| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity P2Y12 receptor in human washed platelets assessed as inhibition of ADP-induced platelet aggregation after 5 to 90 mins by spectro... |
Bioorg Med Chem Lett 24: 2963-8 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.001
BindingDB Entry DOI: 10.7270/Q24X59CQ |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50439277
(CHEMBL2419490)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)C(=O)NS(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C23H26N4O5S/c1-3-32-23(29)20-13-19(14-24)21(25-16(20)2)27-11-9-18(10-12-27)22(28)26-33(30,31)15-17-7-5-4-6-8-17/h4-8,13,18H,3,9-12,15H2,1-2H3,(H,26,28) | PDB
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| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [125I]AZ11931285 from human P2Y12 receptor expressed in CHOK1 cell membrane after 60 mins |
Bioorg Med Chem Lett 24: 2963-8 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.001
BindingDB Entry DOI: 10.7270/Q24X59CQ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50439277
(CHEMBL2419490)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)C(=O)NS(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C23H26N4O5S/c1-3-32-23(29)20-13-19(14-24)21(25-16(20)2)27-11-9-18(10-12-27)22(28)26-33(30,31)15-17-7-5-4-6-8-17/h4-8,13,18H,3,9-12,15H2,1-2H3,(H,26,28) | PDB
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| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [125I]AZ11931285 from human P2Y12 receptor expressed in CHOK1 cell membrane after 60 seconds |
Bioorg Med Chem Lett 24: 2963-8 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.001
BindingDB Entry DOI: 10.7270/Q24X59CQ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50019019
(CHEMBL3288127)Show SMILES CCCC(=O)c1cc(C#N)c(nc1SC)N1CCC(CC1)C(=O)NS(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C24H28N4O4S2/c1-3-7-21(29)20-14-19(15-25)22(26-24(20)33-2)28-12-10-18(11-13-28)23(30)27-34(31,32)16-17-8-5-4-6-9-17/h4-6,8-9,14,18H,3,7,10-13,16H2,1-2H3,(H,27,30) | PDB
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| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at P2Y12 receptor (unknown origin) assessed as inhibition of ADP-induced [35S]GTPgammaS binding after 45 mins by scintillation co... |
Bioorg Med Chem Lett 24: 2963-8 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.001
BindingDB Entry DOI: 10.7270/Q24X59CQ |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50019017
(CHEMBL3288123)Show SMILES CCCC(=O)c1cc(C#N)c(nc1SC)N1CCC(CC1)C(=O)NS(=O)(=O)C1(CC1)c1ccccc1 Show InChI InChI=1S/C26H30N4O4S2/c1-3-7-22(31)21-16-19(17-27)23(28-25(21)35-2)30-14-10-18(11-15-30)24(32)29-36(33,34)26(12-13-26)20-8-5-4-6-9-20/h4-6,8-9,16,18H,3,7,10-15H2,1-2H3,(H,29,32) | PDB
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| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at P2Y12 receptor (unknown origin) assessed as inhibition of ADP-induced [35S]GTPgammaS binding after 45 mins by scintillation co... |
Bioorg Med Chem Lett 24: 2963-8 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.001
BindingDB Entry DOI: 10.7270/Q24X59CQ |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50439277
(CHEMBL2419490)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)C(=O)NS(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C23H26N4O5S/c1-3-32-23(29)20-13-19(14-24)21(25-16(20)2)27-11-9-18(10-12-27)22(28)26-33(30,31)15-17-7-5-4-6-8-17/h4-8,13,18H,3,9-12,15H2,1-2H3,(H,26,28) | PDB
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| PDB
Article
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| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [125I]AZ11931285 from human P2Y12 receptor expressed in CHOK1 cell membrane after 30 seconds |
Bioorg Med Chem Lett 24: 2963-8 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.001
BindingDB Entry DOI: 10.7270/Q24X59CQ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50019017
(CHEMBL3288123)Show SMILES CCCC(=O)c1cc(C#N)c(nc1SC)N1CCC(CC1)C(=O)NS(=O)(=O)C1(CC1)c1ccccc1 Show InChI InChI=1S/C26H30N4O4S2/c1-3-7-22(31)21-16-19(17-27)23(28-25(21)35-2)30-14-10-18(11-15-30)24(32)29-36(33,34)26(12-13-26)20-8-5-4-6-9-20/h4-6,8-9,16,18H,3,7,10-15H2,1-2H3,(H,29,32) | PDB
Reactome pathway
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| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [125I]AZ11931285 from human P2Y12 receptor expressed in CHOK1 cell membrane after 60 seconds |
Bioorg Med Chem Lett 24: 2963-8 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.001
BindingDB Entry DOI: 10.7270/Q24X59CQ |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50439277
(CHEMBL2419490)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)C(=O)NS(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C23H26N4O5S/c1-3-32-23(29)20-13-19(14-24)21(25-16(20)2)27-11-9-18(10-12-27)22(28)26-33(30,31)15-17-7-5-4-6-8-17/h4-8,13,18H,3,9-12,15H2,1-2H3,(H,26,28) | PDB
Reactome pathway
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| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at P2Y12 receptor (unknown origin) assessed as inhibition of ADP-induced [35S]GTPgammaS binding after 45 mins by scintillation co... |
Bioorg Med Chem Lett 24: 2963-8 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.001
BindingDB Entry DOI: 10.7270/Q24X59CQ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50019017
(CHEMBL3288123)Show SMILES CCCC(=O)c1cc(C#N)c(nc1SC)N1CCC(CC1)C(=O)NS(=O)(=O)C1(CC1)c1ccccc1 Show InChI InChI=1S/C26H30N4O4S2/c1-3-7-22(31)21-16-19(17-27)23(28-25(21)35-2)30-14-10-18(11-15-30)24(32)29-36(33,34)26(12-13-26)20-8-5-4-6-9-20/h4-6,8-9,16,18H,3,7,10-15H2,1-2H3,(H,29,32) | PDB
Reactome pathway
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| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [125I]AZ11931285 from human P2Y12 receptor expressed in CHOK1 cell membrane after 30 seconds |
Bioorg Med Chem Lett 24: 2963-8 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.001
BindingDB Entry DOI: 10.7270/Q24X59CQ |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50019020
(CHEMBL3288126)Show SMILES CCCC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)C(=O)NS(=O)(=O)Cc1ccc(F)cc1F Show InChI InChI=1S/C24H26F2N4O4S/c1-3-4-22(31)20-11-18(13-27)23(28-15(20)2)30-9-7-16(8-10-30)24(32)29-35(33,34)14-17-5-6-19(25)12-21(17)26/h5-6,11-12,16H,3-4,7-10,14H2,1-2H3,(H,29,32) | PDB
Reactome pathway
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| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at P2Y12 receptor (unknown origin) assessed as inhibition of ADP-induced [35S]GTPgammaS binding after 45 mins by scintillation co... |
Bioorg Med Chem Lett 24: 2963-8 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.001
BindingDB Entry DOI: 10.7270/Q24X59CQ |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50439277
(CHEMBL2419490)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)C(=O)NS(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C23H26N4O5S/c1-3-32-23(29)20-13-19(14-24)21(25-16(20)2)27-11-9-18(10-12-27)22(28)26-33(30,31)15-17-7-5-4-6-8-17/h4-8,13,18H,3,9-12,15H2,1-2H3,(H,26,28) | PDB
Reactome pathway
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| PDB
Article
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| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [125I]AZ11931285 from human P2Y12 receptor expressed in CHOK1 cell membrane after 10 seconds |
Bioorg Med Chem Lett 24: 2963-8 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.001
BindingDB Entry DOI: 10.7270/Q24X59CQ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50019021
(CHEMBL3288129)Show SMILES CCCC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)C(=O)NS(=O)(=O)Cc1ccc(Cl)cc1 Show InChI InChI=1S/C24H27ClN4O4S/c1-3-4-22(30)21-13-19(14-26)23(27-16(21)2)29-11-9-18(10-12-29)24(31)28-34(32,33)15-17-5-7-20(25)8-6-17/h5-8,13,18H,3-4,9-12,15H2,1-2H3,(H,28,31) | PDB
Reactome pathway
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| n/a | n/a | 57 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at P2Y12 receptor (unknown origin) assessed as inhibition of ADP-induced [35S]GTPgammaS binding after 45 mins by scintillation co... |
Bioorg Med Chem Lett 24: 2963-8 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.001
BindingDB Entry DOI: 10.7270/Q24X59CQ |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50019023
(CHEMBL3288128)Show SMILES CCCC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)C(=O)NS(=O)(=O)Cc1ccc(C)cc1 Show InChI InChI=1S/C25H30N4O4S/c1-4-5-23(30)22-14-21(15-26)24(27-18(22)3)29-12-10-20(11-13-29)25(31)28-34(32,33)16-19-8-6-17(2)7-9-19/h6-9,14,20H,4-5,10-13,16H2,1-3H3,(H,28,31) | PDB
Reactome pathway
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| n/a | n/a | 59 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at P2Y12 receptor (unknown origin) assessed as inhibition of ADP-induced [35S]GTPgammaS binding after 45 mins by scintillation co... |
Bioorg Med Chem Lett 24: 2963-8 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.001
BindingDB Entry DOI: 10.7270/Q24X59CQ |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50019024
(CHEMBL3288132)Show SMILES CCCC(=O)c1cc(C#N)c(nc1OC)N1CCC(CC1)C(=O)NS(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C24H28N4O5S/c1-3-7-21(29)20-14-19(15-25)22(26-24(20)33-2)28-12-10-18(11-13-28)23(30)27-34(31,32)16-17-8-5-4-6-9-17/h4-6,8-9,14,18H,3,7,10-13,16H2,1-2H3,(H,27,30) | PDB
Reactome pathway
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PubMed
| n/a | n/a | 76 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at P2Y12 receptor (unknown origin) assessed as inhibition of ADP-induced [35S]GTPgammaS binding after 45 mins by scintillation co... |
Bioorg Med Chem Lett 24: 2963-8 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.001
BindingDB Entry DOI: 10.7270/Q24X59CQ |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50019025
(CHEMBL3288131)Show SMILES CCCC(=O)c1cc(C#N)c(nc1C(F)F)N1CCC(CC1)C(=O)NS(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C24H26F2N4O4S/c1-2-6-20(31)19-13-18(14-27)23(28-21(19)22(25)26)30-11-9-17(10-12-30)24(32)29-35(33,34)15-16-7-4-3-5-8-16/h3-5,7-8,13,17,22H,2,6,9-12,15H2,1H3,(H,29,32) | PDB
Reactome pathway
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| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at P2Y12 receptor (unknown origin) assessed as inhibition of ADP-induced [35S]GTPgammaS binding after 45 mins by scintillation co... |
Bioorg Med Chem Lett 24: 2963-8 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.001
BindingDB Entry DOI: 10.7270/Q24X59CQ |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50019026
(CHEMBL3288130)Show SMILES CCCC(=O)c1cc(C#N)c(nc1CF)N1CCC(CC1)C(=O)NS(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C24H27FN4O4S/c1-2-6-22(30)20-13-19(15-26)23(27-21(20)14-25)29-11-9-18(10-12-29)24(31)28-34(32,33)16-17-7-4-3-5-8-17/h3-5,7-8,13,18H,2,6,9-12,14,16H2,1H3,(H,28,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 93 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at P2Y12 receptor (unknown origin) assessed as inhibition of ADP-induced [35S]GTPgammaS binding after 45 mins by scintillation co... |
Bioorg Med Chem Lett 24: 2963-8 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.001
BindingDB Entry DOI: 10.7270/Q24X59CQ |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50019027
(CHEMBL3288134)Show SMILES CCCC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)C(=O)NS(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C24H28N4O4S/c1-3-7-22(29)21-14-20(15-25)23(26-17(21)2)28-12-10-19(11-13-28)24(30)27-33(31,32)16-18-8-5-4-6-9-18/h4-6,8-9,14,19H,3,7,10-13,16H2,1-2H3,(H,27,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at P2Y12 receptor (unknown origin) assessed as inhibition of ADP-induced [35S]GTPgammaS binding after 45 mins by scintillation co... |
Bioorg Med Chem Lett 24: 2963-8 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.001
BindingDB Entry DOI: 10.7270/Q24X59CQ |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50019017
(CHEMBL3288123)Show SMILES CCCC(=O)c1cc(C#N)c(nc1SC)N1CCC(CC1)C(=O)NS(=O)(=O)C1(CC1)c1ccccc1 Show InChI InChI=1S/C26H30N4O4S2/c1-3-7-22(31)21-16-19(17-27)23(28-25(21)35-2)30-14-10-18(11-15-30)24(32)29-36(33,34)26(12-13-26)20-8-5-4-6-9-20/h4-6,8-9,16,18H,3,7,10-15H2,1-2H3,(H,29,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 126 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [125I]AZ11931285 from human P2Y12 receptor expressed in CHOK1 cell membrane after 10 seconds |
Bioorg Med Chem Lett 24: 2963-8 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.001
BindingDB Entry DOI: 10.7270/Q24X59CQ |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50019028
(CHEMBL3288125)Show SMILES CCCC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)C(=O)NS(=O)(=O)Cc1ccc(C)c(F)c1 Show InChI InChI=1S/C25H29FN4O4S/c1-4-5-23(31)21-13-20(14-27)24(28-17(21)3)30-10-8-19(9-11-30)25(32)29-35(33,34)15-18-7-6-16(2)22(26)12-18/h6-7,12-13,19H,4-5,8-11,15H2,1-3H3,(H,29,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at P2Y12 receptor (unknown origin) assessed as inhibition of ADP-induced [35S]GTPgammaS binding after 45 mins by scintillation co... |
Bioorg Med Chem Lett 24: 2963-8 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.001
BindingDB Entry DOI: 10.7270/Q24X59CQ |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50019029
(CHEMBL3288122)Show SMILES CCCC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)C(=O)NS(=O)(=O)C1(CC1)c1ccccc1 Show InChI InChI=1S/C26H30N4O4S/c1-3-7-23(31)22-16-20(17-27)24(28-18(22)2)30-14-10-19(11-15-30)25(32)29-35(33,34)26(12-13-26)21-8-5-4-6-9-21/h4-6,8-9,16,19H,3,7,10-15H2,1-2H3,(H,29,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at P2Y12 receptor (unknown origin) assessed as inhibition of ADP-induced [35S]GTPgammaS binding after 45 mins by scintillation co... |
Bioorg Med Chem Lett 24: 2963-8 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.001
BindingDB Entry DOI: 10.7270/Q24X59CQ |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50019030
(CHEMBL3288121)Show SMILES CCCC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)C(=O)NS(=O)(=O)C(C)c1ccccc1 Show InChI InChI=1S/C25H30N4O4S/c1-4-8-23(30)22-15-21(16-26)24(27-17(22)2)29-13-11-20(12-14-29)25(31)28-34(32,33)18(3)19-9-6-5-7-10-19/h5-7,9-10,15,18,20H,4,8,11-14H2,1-3H3,(H,28,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at P2Y12 receptor (unknown origin) assessed as inhibition of ADP-induced [35S]GTPgammaS binding after 45 mins by scintillation co... |
Bioorg Med Chem Lett 24: 2963-8 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.001
BindingDB Entry DOI: 10.7270/Q24X59CQ |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50019018
(CHEMBL3288133)Show SMILES CCCC(=O)c1cc(C#N)c(nc1CCC)N1CCC(CC1)C(=O)NS(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C26H32N4O4S/c1-3-8-23-22(24(31)9-4-2)16-21(17-27)25(28-23)30-14-12-20(13-15-30)26(32)29-35(33,34)18-19-10-6-5-7-11-19/h5-7,10-11,16,20H,3-4,8-9,12-15,18H2,1-2H3,(H,29,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at P2Y12 receptor (unknown origin) assessed as inhibition of ADP-induced [35S]GTPgammaS binding after 45 mins by scintillation co... |
Bioorg Med Chem Lett 24: 2963-8 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.001
BindingDB Entry DOI: 10.7270/Q24X59CQ |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50019032
(CHEMBL3288124)Show SMILES CCCC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)C(=O)NS(=O)(=O)Cc1ccccc1Cl Show InChI InChI=1S/C24H27ClN4O4S/c1-3-6-22(30)20-13-19(14-26)23(27-16(20)2)29-11-9-17(10-12-29)24(31)28-34(32,33)15-18-7-4-5-8-21(18)25/h4-5,7-8,13,17H,3,6,9-12,15H2,1-2H3,(H,28,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at P2Y12 receptor (unknown origin) assessed as inhibition of ADP-induced [35S]GTPgammaS binding after 45 mins by scintillation co... |
Bioorg Med Chem Lett 24: 2963-8 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.001
BindingDB Entry DOI: 10.7270/Q24X59CQ |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50019017
(CHEMBL3288123)Show SMILES CCCC(=O)c1cc(C#N)c(nc1SC)N1CCC(CC1)C(=O)NS(=O)(=O)C1(CC1)c1ccccc1 Show InChI InChI=1S/C26H30N4O4S2/c1-3-7-22(31)21-16-19(17-27)23(28-25(21)35-2)30-14-10-18(11-15-30)24(32)29-36(33,34)26(12-13-26)20-8-5-4-6-9-20/h4-6,8-9,16,18H,3,7,10-15H2,1-2H3,(H,29,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 640 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity P2Y12 receptor in human blood assessed as inhibition of ADP-induced platelet aggregation measured as residual platelet count afte... |
Bioorg Med Chem Lett 24: 2963-8 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.001
BindingDB Entry DOI: 10.7270/Q24X59CQ |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50019019
(CHEMBL3288127)Show SMILES CCCC(=O)c1cc(C#N)c(nc1SC)N1CCC(CC1)C(=O)NS(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C24H28N4O4S2/c1-3-7-21(29)20-14-19(15-25)22(26-24(20)33-2)28-12-10-18(11-13-28)23(30)27-34(31,32)16-17-8-5-4-6-9-17/h4-6,8-9,14,18H,3,7,10-13,16H2,1-2H3,(H,27,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity P2Y12 receptor in human blood assessed as inhibition of ADP-induced platelet aggregation measured as residual platelet count afte... |
Bioorg Med Chem Lett 24: 2963-8 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.001
BindingDB Entry DOI: 10.7270/Q24X59CQ |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50439277
(CHEMBL2419490)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)C(=O)NS(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C23H26N4O5S/c1-3-32-23(29)20-13-19(14-24)21(25-16(20)2)27-11-9-18(10-12-27)22(28)26-33(30,31)15-17-7-5-4-6-8-17/h4-8,13,18H,3,9-12,15H2,1-2H3,(H,26,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 3.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity P2Y12 receptor in human blood assessed as inhibition of ADP-induced platelet aggregation measured as residual platelet count afte... |
Bioorg Med Chem Lett 24: 2963-8 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.001
BindingDB Entry DOI: 10.7270/Q24X59CQ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50019027
(CHEMBL3288134)Show SMILES CCCC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)C(=O)NS(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C24H28N4O4S/c1-3-7-22(29)21-14-20(15-25)23(26-17(21)2)28-12-10-19(11-13-28)24(30)27-33(31,32)16-18-8-5-4-6-9-18/h4-6,8-9,14,19H,3,7,10-13,16H2,1-2H3,(H,27,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity P2Y12 receptor in human blood assessed as inhibition of ADP-induced platelet aggregation measured as residual platelet count afte... |
Bioorg Med Chem Lett 24: 2963-8 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.001
BindingDB Entry DOI: 10.7270/Q24X59CQ |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50019026
(CHEMBL3288130)Show SMILES CCCC(=O)c1cc(C#N)c(nc1CF)N1CCC(CC1)C(=O)NS(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C24H27FN4O4S/c1-2-6-22(30)20-13-19(15-26)23(27-21(20)14-25)29-11-9-18(10-12-29)24(31)28-34(32,33)16-17-7-4-3-5-8-17/h3-5,7-8,13,18H,2,6,9-12,14,16H2,1H3,(H,28,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity P2Y12 receptor in human blood assessed as inhibition of ADP-induced platelet aggregation measured as residual platelet count afte... |
Bioorg Med Chem Lett 24: 2963-8 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.001
BindingDB Entry DOI: 10.7270/Q24X59CQ |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50019024
(CHEMBL3288132)Show SMILES CCCC(=O)c1cc(C#N)c(nc1OC)N1CCC(CC1)C(=O)NS(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C24H28N4O5S/c1-3-7-21(29)20-14-19(15-25)22(26-24(20)33-2)28-12-10-18(11-13-28)23(30)27-34(31,32)16-17-8-5-4-6-9-17/h4-6,8-9,14,18H,3,7,10-13,16H2,1-2H3,(H,27,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.03E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity P2Y12 receptor in human blood assessed as inhibition of ADP-induced platelet aggregation measured as residual platelet count afte... |
Bioorg Med Chem Lett 24: 2963-8 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.001
BindingDB Entry DOI: 10.7270/Q24X59CQ |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50019021
(CHEMBL3288129)Show SMILES CCCC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)C(=O)NS(=O)(=O)Cc1ccc(Cl)cc1 Show InChI InChI=1S/C24H27ClN4O4S/c1-3-4-22(30)21-13-19(14-26)23(27-16(21)2)29-11-9-18(10-12-29)24(31)28-34(32,33)15-17-5-7-20(25)8-6-17/h5-8,13,18H,3-4,9-12,15H2,1-2H3,(H,28,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.05E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity P2Y12 receptor in human blood assessed as inhibition of ADP-induced platelet aggregation measured as residual platelet count afte... |
Bioorg Med Chem Lett 24: 2963-8 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.001
BindingDB Entry DOI: 10.7270/Q24X59CQ |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50019020
(CHEMBL3288126)Show SMILES CCCC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)C(=O)NS(=O)(=O)Cc1ccc(F)cc1F Show InChI InChI=1S/C24H26F2N4O4S/c1-3-4-22(31)20-11-18(13-27)23(28-15(20)2)30-9-7-16(8-10-30)24(32)29-35(33,34)14-17-5-6-19(25)12-21(17)26/h5-6,11-12,16H,3-4,7-10,14H2,1-2H3,(H,29,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity P2Y12 receptor in human blood assessed as inhibition of ADP-induced platelet aggregation measured as residual platelet count afte... |
Bioorg Med Chem Lett 24: 2963-8 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.001
BindingDB Entry DOI: 10.7270/Q24X59CQ |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50019023
(CHEMBL3288128)Show SMILES CCCC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)C(=O)NS(=O)(=O)Cc1ccc(C)cc1 Show InChI InChI=1S/C25H30N4O4S/c1-4-5-23(30)22-14-21(15-26)24(27-18(22)3)29-12-10-20(11-13-29)25(31)28-34(32,33)16-19-8-6-17(2)7-9-19/h6-9,14,20H,4-5,10-13,16H2,1-3H3,(H,28,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity P2Y12 receptor in human blood assessed as inhibition of ADP-induced platelet aggregation measured as residual platelet count afte... |
Bioorg Med Chem Lett 24: 2963-8 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.001
BindingDB Entry DOI: 10.7270/Q24X59CQ |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50019025
(CHEMBL3288131)Show SMILES CCCC(=O)c1cc(C#N)c(nc1C(F)F)N1CCC(CC1)C(=O)NS(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C24H26F2N4O4S/c1-2-6-20(31)19-13-18(14-27)23(28-21(19)22(25)26)30-11-9-17(10-12-30)24(32)29-35(33,34)15-16-7-4-3-5-8-16/h3-5,7-8,13,17,22H,2,6,9-12,15H2,1H3,(H,29,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.15E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity P2Y12 receptor in human blood assessed as inhibition of ADP-induced platelet aggregation measured as residual platelet count afte... |
Bioorg Med Chem Lett 24: 2963-8 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.001
BindingDB Entry DOI: 10.7270/Q24X59CQ |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50019029
(CHEMBL3288122)Show SMILES CCCC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)C(=O)NS(=O)(=O)C1(CC1)c1ccccc1 Show InChI InChI=1S/C26H30N4O4S/c1-3-7-23(31)22-16-20(17-27)24(28-18(22)2)30-14-10-19(11-15-30)25(32)29-35(33,34)26(12-13-26)21-8-5-4-6-9-21/h4-6,8-9,16,19H,3,7,10-15H2,1-2H3,(H,29,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity P2Y12 receptor in human blood assessed as inhibition of ADP-induced platelet aggregation measured as residual platelet count afte... |
Bioorg Med Chem Lett 24: 2963-8 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.001
BindingDB Entry DOI: 10.7270/Q24X59CQ |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50019030
(CHEMBL3288121)Show SMILES CCCC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)C(=O)NS(=O)(=O)C(C)c1ccccc1 Show InChI InChI=1S/C25H30N4O4S/c1-4-8-23(30)22-15-21(16-26)24(27-17(22)2)29-13-11-20(12-14-29)25(31)28-34(32,33)18(3)19-9-6-5-7-10-19/h5-7,9-10,15,18,20H,4,8,11-14H2,1-3H3,(H,28,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity P2Y12 receptor in human blood assessed as inhibition of ADP-induced platelet aggregation measured as residual platelet count afte... |
Bioorg Med Chem Lett 24: 2963-8 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.001
BindingDB Entry DOI: 10.7270/Q24X59CQ |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50019018
(CHEMBL3288133)Show SMILES CCCC(=O)c1cc(C#N)c(nc1CCC)N1CCC(CC1)C(=O)NS(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C26H32N4O4S/c1-3-8-23-22(24(31)9-4-2)16-21(17-27)25(28-23)30-14-12-20(13-15-30)26(32)29-35(33,34)18-19-10-6-5-7-11-19/h5-7,10-11,16,20H,3-4,8-9,12-15,18H2,1-2H3,(H,29,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity P2Y12 receptor in human blood assessed as inhibition of ADP-induced platelet aggregation measured as residual platelet count afte... |
Bioorg Med Chem Lett 24: 2963-8 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.001
BindingDB Entry DOI: 10.7270/Q24X59CQ |
More data for this
Ligand-Target Pair | |
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