Found 69 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)) | BDBM50439278
(CHEMBL2419487)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CC(C1)C(=O)NS(=O)(=O)Cc1ccc(C)cc1 Show InChI InChI=1S/C22H24N4O5S/c1-4-31-22(28)19-9-17(10-23)20(24-15(19)3)26-11-18(12-26)21(27)25-32(29,30)13-16-7-5-14(2)6-8-16/h5-9,18H,4,11-13H2,1-3H3,(H,25,27) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Displacement of [125I]-AZ11931285 from P2Y12 receptor (unknown origin) expressed in CHO cell membrane after 1 hr by scintillation counting analysis |
J Med Chem 56: 7015-24 (2013)
Article DOI: 10.1021/jm400820m BindingDB Entry DOI: 10.7270/Q29K4CNV |
More data for this Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50439274
(CHEMBL2419493)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)C(=O)NS(=O)(=O)Cc1ccc(C)cc1 Show InChI InChI=1S/C24H28N4O5S/c1-4-33-24(30)21-13-20(14-25)22(26-17(21)3)28-11-9-19(10-12-28)23(29)27-34(31,32)15-18-7-5-16(2)6-8-18/h5-8,13,19H,4,9-12,15H2,1-3H3,(H,27,29) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Displacement of [125I]-AZ11931285 from P2Y12 receptor (unknown origin) expressed in CHO cell membrane after 1 hr by scintillation counting analysis |
J Med Chem 56: 7015-24 (2013)
Article DOI: 10.1021/jm400820m BindingDB Entry DOI: 10.7270/Q29K4CNV |
More data for this Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50439280
(CHEMBL2419485)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CC(C1)C(=O)NS(=O)(=O)Cc1ccc(Cl)cc1 Show InChI InChI=1S/C21H21ClN4O5S/c1-3-31-21(28)18-8-15(9-23)19(24-13(18)2)26-10-16(11-26)20(27)25-32(29,30)12-14-4-6-17(22)7-5-14/h4-8,16H,3,10-12H2,1-2H3,(H,25,27) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Displacement of [125I]-AZ11931285 from P2Y12 receptor (unknown origin) expressed in CHO cell membrane after 1 hr by scintillation counting analysis |
J Med Chem 56: 7015-24 (2013)
Article DOI: 10.1021/jm400820m BindingDB Entry DOI: 10.7270/Q29K4CNV |
More data for this Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50439272
(CHEMBL2419495)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)C(=O)NS(=O)(=O)Cc1ccc(F)cc1F Show InChI InChI=1S/C23H24F2N4O5S/c1-3-34-23(31)19-10-17(12-26)21(27-14(19)2)29-8-6-15(7-9-29)22(30)28-35(32,33)13-16-4-5-18(24)11-20(16)25/h4-5,10-11,15H,3,6-9,13H2,1-2H3,(H,28,30) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Displacement of [125I]-AZ11931285 from P2Y12 receptor (unknown origin) expressed in CHO cell membrane after 1 hr by scintillation counting analysis |
J Med Chem 56: 7015-24 (2013)
Article DOI: 10.1021/jm400820m BindingDB Entry DOI: 10.7270/Q29K4CNV |
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 | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Displacement of [125I]-AZ11931285 from P2Y12 receptor (unknown origin) expressed in CHO cell membrane after 1 hr by scintillation counting analysis |
J Med Chem 56: 7015-24 (2013)
Article DOI: 10.1021/jm400820m BindingDB Entry DOI: 10.7270/Q29K4CNV |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50439279
(CHEMBL2419486)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CC(C1)C(=O)NS(=O)(=O)Cc1ccc(F)cc1 Show InChI InChI=1S/C21H21FN4O5S/c1-3-31-21(28)18-8-15(9-23)19(24-13(18)2)26-10-16(11-26)20(27)25-32(29,30)12-14-4-6-17(22)7-5-14/h4-8,16H,3,10-12H2,1-2H3,(H,25,27) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Displacement of [125I]-AZ11931285 from P2Y12 receptor (unknown origin) expressed in CHO cell membrane after 1 hr by scintillation counting analysis |
J Med Chem 56: 7015-24 (2013)
Article DOI: 10.1021/jm400820m BindingDB Entry DOI: 10.7270/Q29K4CNV |
More data for this Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50439276
(CHEMBL2419491)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)C(=O)NS(=O)(=O)Cc1ccc(F)cc1 Show InChI InChI=1S/C23H25FN4O5S/c1-3-33-23(30)20-12-18(13-25)21(26-15(20)2)28-10-8-17(9-11-28)22(29)27-34(31,32)14-16-4-6-19(24)7-5-16/h4-7,12,17H,3,8-11,14H2,1-2H3,(H,27,29) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Displacement of [125I]-AZ11931285 from P2Y12 receptor (unknown origin) expressed in CHO cell membrane after 1 hr by scintillation counting analysis |
J Med Chem 56: 7015-24 (2013)
Article DOI: 10.1021/jm400820m BindingDB Entry DOI: 10.7270/Q29K4CNV |
More data for this Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50439272
(CHEMBL2419495)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)C(=O)NS(=O)(=O)Cc1ccc(F)cc1F Show InChI InChI=1S/C23H24F2N4O5S/c1-3-34-23(31)19-10-17(12-26)21(27-14(19)2)29-8-6-15(7-9-29)22(30)28-35(32,33)13-16-4-5-18(24)11-20(16)25/h4-5,10-11,15H,3,6-9,13H2,1-2H3,(H,28,30) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 16 | 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) expressed in CHO cell membrane by [35S]GTPgammaS binding assay |
J Med Chem 56: 7015-24 (2013)
Article DOI: 10.1021/jm400820m BindingDB Entry DOI: 10.7270/Q29K4CNV |
More data for this Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50439281
(CHEMBL2419501)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CC(C1)C(=O)NS(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C21H22N4O5S/c1-3-30-21(27)18-9-16(10-22)19(23-14(18)2)25-11-17(12-25)20(26)24-31(28,29)13-15-7-5-4-6-8-15/h4-9,17H,3,11-13H2,1-2H3,(H,24,26) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Displacement of [125I]-AZ11931285 from P2Y12 receptor (unknown origin) expressed in CHO cell membrane after 1 hr by scintillation counting analysis |
J Med Chem 56: 7015-24 (2013)
Article DOI: 10.1021/jm400820m BindingDB Entry DOI: 10.7270/Q29K4CNV |
More data for this Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50439278
(CHEMBL2419487)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CC(C1)C(=O)NS(=O)(=O)Cc1ccc(C)cc1 Show InChI InChI=1S/C22H24N4O5S/c1-4-31-22(28)19-9-17(10-23)20(24-15(19)3)26-11-18(12-26)21(27)25-32(29,30)13-16-7-5-14(2)6-8-16/h5-9,18H,4,11-13H2,1-3H3,(H,25,27) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 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) expressed in CHO cell membrane by [35S]GTPgammaS binding assay |
J Med Chem 56: 7015-24 (2013)
Article DOI: 10.1021/jm400820m BindingDB Entry DOI: 10.7270/Q29K4CNV |
More data for this Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50439279
(CHEMBL2419486)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CC(C1)C(=O)NS(=O)(=O)Cc1ccc(F)cc1 Show InChI InChI=1S/C21H21FN4O5S/c1-3-31-21(28)18-8-15(9-23)19(24-13(18)2)26-10-16(11-26)20(27)25-32(29,30)12-14-4-6-17(22)7-5-14/h4-8,16H,3,10-12H2,1-2H3,(H,25,27) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 20 | 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) expressed in CHO cell membrane by [35S]GTPgammaS binding assay |
J Med Chem 56: 7015-24 (2013)
Article DOI: 10.1021/jm400820m BindingDB Entry DOI: 10.7270/Q29K4CNV |
More data for this Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50439280
(CHEMBL2419485)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CC(C1)C(=O)NS(=O)(=O)Cc1ccc(Cl)cc1 Show InChI InChI=1S/C21H21ClN4O5S/c1-3-31-21(28)18-8-15(9-23)19(24-13(18)2)26-10-16(11-26)20(27)25-32(29,30)12-14-4-6-17(22)7-5-14/h4-8,16H,3,10-12H2,1-2H3,(H,25,27) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 23 | 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) expressed in CHO cell membrane by [35S]GTPgammaS binding assay |
J Med Chem 56: 7015-24 (2013)
Article DOI: 10.1021/jm400820m BindingDB Entry DOI: 10.7270/Q29K4CNV |
More data for this Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50439274
(CHEMBL2419493)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)C(=O)NS(=O)(=O)Cc1ccc(C)cc1 Show InChI InChI=1S/C24H28N4O5S/c1-4-33-24(30)21-13-20(14-25)22(26-17(21)3)28-11-9-19(10-12-28)23(29)27-34(31,32)15-18-7-5-16(2)6-8-18/h5-8,13,19H,4,9-12,15H2,1-3H3,(H,27,29) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 23 | 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) expressed in CHO cell membrane by [35S]GTPgammaS binding assay |
J Med Chem 56: 7015-24 (2013)
Article DOI: 10.1021/jm400820m BindingDB Entry DOI: 10.7270/Q29K4CNV |
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 | 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) expressed in CHO cell membrane by [35S]GTPgammaS binding assay |
J Med Chem 56: 7015-24 (2013)
Article DOI: 10.1021/jm400820m BindingDB Entry DOI: 10.7270/Q29K4CNV |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50439275
(CHEMBL2419492)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)C(=O)NS(=O)(=O)Cc1ccc(OC)cc1 Show InChI InChI=1S/C24H28N4O6S/c1-4-34-24(30)21-13-19(14-25)22(26-16(21)2)28-11-9-18(10-12-28)23(29)27-35(31,32)15-17-5-7-20(33-3)8-6-17/h5-8,13,18H,4,9-12,15H2,1-3H3,(H,27,29) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Displacement of [125I]-AZ11931285 from P2Y12 receptor (unknown origin) expressed in CHO cell membrane after 1 hr by scintillation counting analysis |
J Med Chem 56: 7015-24 (2013)
Article DOI: 10.1021/jm400820m BindingDB Entry DOI: 10.7270/Q29K4CNV |
More data for this Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50439282
(CHEMBL2419484)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CC(C1)C(=O)NS(=O)(=O)Cc1cccc(C)c1 Show InChI InChI=1S/C22H24N4O5S/c1-4-31-22(28)19-9-17(10-23)20(24-15(19)3)26-11-18(12-26)21(27)25-32(29,30)13-16-7-5-6-14(2)8-16/h5-9,18H,4,11-13H2,1-3H3,(H,25,27) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Displacement of [125I]-AZ11931285 from P2Y12 receptor (unknown origin) expressed in CHO cell membrane after 1 hr by scintillation counting analysis |
J Med Chem 56: 7015-24 (2013)
Article DOI: 10.1021/jm400820m BindingDB Entry DOI: 10.7270/Q29K4CNV |
More data for this Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50439281
(CHEMBL2419501)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CC(C1)C(=O)NS(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C21H22N4O5S/c1-3-30-21(27)18-9-16(10-22)19(23-14(18)2)25-11-17(12-25)20(26)24-31(28,29)13-15-7-5-4-6-8-15/h4-9,17H,3,11-13H2,1-2H3,(H,24,26) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 33 | 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) expressed in CHO cell membrane by [35S]GTPgammaS binding assay |
J Med Chem 56: 7015-24 (2013)
Article DOI: 10.1021/jm400820m BindingDB Entry DOI: 10.7270/Q29K4CNV |
More data for this Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50439276
(CHEMBL2419491)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)C(=O)NS(=O)(=O)Cc1ccc(F)cc1 Show InChI InChI=1S/C23H25FN4O5S/c1-3-33-23(30)20-12-18(13-25)21(26-15(20)2)28-10-8-17(9-11-28)22(29)27-34(31,32)14-16-4-6-19(24)7-5-16/h4-7,12,17H,3,8-11,14H2,1-2H3,(H,27,29) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 38 | 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) expressed in CHO cell membrane by [35S]GTPgammaS binding assay |
J Med Chem 56: 7015-24 (2013)
Article DOI: 10.1021/jm400820m BindingDB Entry DOI: 10.7270/Q29K4CNV |
More data for this Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50439268
(CHEMBL2419499)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)C(=O)NS(=O)(=O)c1ccc(Cl)s1 Show InChI InChI=1S/C20H21ClN4O5S2/c1-3-30-20(27)15-10-14(11-22)18(23-12(15)2)25-8-6-13(7-9-25)19(26)24-32(28,29)17-5-4-16(21)31-17/h4-5,10,13H,3,6-9H2,1-2H3,(H,24,26) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Antagonist activity at human P2Y12 receptor assessed as inhibition of fibrinogen-induced platelet aggregation by washed platelet assay |
J Med Chem 56: 7015-24 (2013)
Article DOI: 10.1021/jm400820m BindingDB Entry DOI: 10.7270/Q29K4CNV |
More data for this Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50439268
(CHEMBL2419499)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)C(=O)NS(=O)(=O)c1ccc(Cl)s1 Show InChI InChI=1S/C20H21ClN4O5S2/c1-3-30-20(27)15-10-14(11-22)18(23-12(15)2)25-8-6-13(7-9-25)19(26)24-32(28,29)17-5-4-16(21)31-17/h4-5,10,13H,3,6-9H2,1-2H3,(H,24,26) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Displacement of [125I]-AZ11931285 from P2Y12 receptor (unknown origin) expressed in CHO cell membrane after 1 hr by scintillation counting analysis |
J Med Chem 56: 7015-24 (2013)
Article DOI: 10.1021/jm400820m BindingDB Entry DOI: 10.7270/Q29K4CNV |
More data for this Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50439275
(CHEMBL2419492)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)C(=O)NS(=O)(=O)Cc1ccc(OC)cc1 Show InChI InChI=1S/C24H28N4O6S/c1-4-34-24(30)21-13-19(14-25)22(26-16(21)2)28-11-9-18(10-12-28)23(29)27-35(31,32)15-17-5-7-20(33-3)8-6-17/h5-8,13,18H,4,9-12,15H2,1-3H3,(H,27,29) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 58 | 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) expressed in CHO cell membrane by [35S]GTPgammaS binding assay |
J Med Chem 56: 7015-24 (2013)
Article DOI: 10.1021/jm400820m BindingDB Entry DOI: 10.7270/Q29K4CNV |
More data for this Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50439270
(CHEMBL2419497)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CC(C1)C(=O)NS(=O)(=O)c1ccc(Cl)s1 Show InChI InChI=1S/C18H17ClN4O5S2/c1-3-28-18(25)13-6-11(7-20)16(21-10(13)2)23-8-12(9-23)17(24)22-30(26,27)15-5-4-14(19)29-15/h4-6,12H,3,8-9H2,1-2H3,(H,22,24) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 59 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Displacement of [125I]-AZ11931285 from P2Y12 receptor (unknown origin) expressed in CHO cell membrane after 1 hr by scintillation counting analysis |
J Med Chem 56: 7015-24 (2013)
Article DOI: 10.1021/jm400820m BindingDB Entry DOI: 10.7270/Q29K4CNV |
More data for this Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50439282
(CHEMBL2419484)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CC(C1)C(=O)NS(=O)(=O)Cc1cccc(C)c1 Show InChI InChI=1S/C22H24N4O5S/c1-4-31-22(28)19-9-17(10-23)20(24-15(19)3)26-11-18(12-26)21(27)25-32(29,30)13-16-7-5-6-14(2)8-16/h5-9,18H,4,11-13H2,1-3H3,(H,25,27) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 65 | 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) expressed in CHO cell membrane by [35S]GTPgammaS binding assay |
J Med Chem 56: 7015-24 (2013)
Article DOI: 10.1021/jm400820m BindingDB Entry DOI: 10.7270/Q29K4CNV |
More data for this Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50439286
(CHEMBL2419482)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CC(C1)C(=O)NS(=O)(=O)Cc1ccccc1C Show InChI InChI=1S/C22H24N4O5S/c1-4-31-22(28)19-9-17(10-23)20(24-15(19)3)26-11-18(12-26)21(27)25-32(29,30)13-16-8-6-5-7-14(16)2/h5-9,18H,4,11-13H2,1-3H3,(H,25,27) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 67 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Displacement of [125I]-AZ11931285 from P2Y12 receptor (unknown origin) expressed in CHO cell membrane after 1 hr by scintillation counting analysis |
J Med Chem 56: 7015-24 (2013)
Article DOI: 10.1021/jm400820m BindingDB Entry DOI: 10.7270/Q29K4CNV |
More data for this Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50439270
(CHEMBL2419497)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CC(C1)C(=O)NS(=O)(=O)c1ccc(Cl)s1 Show InChI InChI=1S/C18H17ClN4O5S2/c1-3-28-18(25)13-6-11(7-20)16(21-10(13)2)23-8-12(9-23)17(24)22-30(26,27)15-5-4-14(19)29-15/h4-6,12H,3,8-9H2,1-2H3,(H,22,24) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 68 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Antagonist activity at human P2Y12 receptor assessed as inhibition of fibrinogen-induced platelet aggregation by washed platelet assay |
J Med Chem 56: 7015-24 (2013)
Article DOI: 10.1021/jm400820m BindingDB Entry DOI: 10.7270/Q29K4CNV |
More data for this Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50439268
(CHEMBL2419499)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)C(=O)NS(=O)(=O)c1ccc(Cl)s1 Show InChI InChI=1S/C20H21ClN4O5S2/c1-3-30-20(27)15-10-14(11-22)18(23-12(15)2)25-8-6-13(7-9-25)19(26)24-32(28,29)17-5-4-16(21)31-17/h4-5,10,13H,3,6-9H2,1-2H3,(H,24,26) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 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) expressed in CHO cell membrane by [35S]GTPgammaS binding assay |
J Med Chem 56: 7015-24 (2013)
Article DOI: 10.1021/jm400820m BindingDB Entry DOI: 10.7270/Q29K4CNV |
More data for this Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50439287
(CHEMBL2419481)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CC(C1)C(=O)NS(=O)(=O)CC1CCCCC1 Show InChI InChI=1S/C21H28N4O5S/c1-3-30-21(27)18-9-16(10-22)19(23-14(18)2)25-11-17(12-25)20(26)24-31(28,29)13-15-7-5-4-6-8-15/h9,15,17H,3-8,11-13H2,1-2H3,(H,24,26) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 89 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Displacement of [125I]-AZ11931285 from P2Y12 receptor (unknown origin) expressed in CHO cell membrane after 1 hr by scintillation counting analysis |
J Med Chem 56: 7015-24 (2013)
Article DOI: 10.1021/jm400820m BindingDB Entry DOI: 10.7270/Q29K4CNV |
More data for this Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50439270
(CHEMBL2419497)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CC(C1)C(=O)NS(=O)(=O)c1ccc(Cl)s1 Show InChI InChI=1S/C18H17ClN4O5S2/c1-3-28-18(25)13-6-11(7-20)16(21-10(13)2)23-8-12(9-23)17(24)22-30(26,27)15-5-4-14(19)29-15/h4-6,12H,3,8-9H2,1-2H3,(H,22,24) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 99 | 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) expressed in CHO cell membrane by [35S]GTPgammaS binding assay |
J Med Chem 56: 7015-24 (2013)
Article DOI: 10.1021/jm400820m BindingDB Entry DOI: 10.7270/Q29K4CNV |
More data for this Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50439285
(CHEMBL2419483)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CC(C1)C(=O)NS(=O)(=O)Cc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C22H21F3N4O5S/c1-3-34-21(31)18-8-15(9-26)19(27-13(18)2)29-10-16(11-29)20(30)28-35(32,33)12-14-5-4-6-17(7-14)22(23,24)25/h4-8,16H,3,10-12H2,1-2H3,(H,28,30) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Displacement of [125I]-AZ11931285 from P2Y12 receptor (unknown origin) expressed in CHO cell membrane after 1 hr by scintillation counting analysis |
J Med Chem 56: 7015-24 (2013)
Article DOI: 10.1021/jm400820m BindingDB Entry DOI: 10.7270/Q29K4CNV |
More data for this Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50439283
(CHEMBL2419489)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)C(=O)NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C22H24N4O5S/c1-3-31-22(28)19-13-17(14-23)20(24-15(19)2)26-11-9-16(10-12-26)21(27)25-32(29,30)18-7-5-4-6-8-18/h4-8,13,16H,3,9-12H2,1-2H3,(H,25,27) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Displacement of [125I]-AZ11931285 from P2Y12 receptor (unknown origin) expressed in CHO cell membrane after 1 hr by scintillation counting analysis |
J Med Chem 56: 7015-24 (2013)
Article DOI: 10.1021/jm400820m BindingDB Entry DOI: 10.7270/Q29K4CNV |
More data for this Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50439269
(CHEMBL2419498)Show SMILES CCOC(=O)c1cnc(N2CCC(CC2)C(=O)NS(=O)(=O)c2ccc(Cl)s2)c(Cl)c1 Show InChI InChI=1S/C18H19Cl2N3O5S2/c1-2-28-18(25)12-9-13(19)16(21-10-12)23-7-5-11(6-8-23)17(24)22-30(26,27)15-4-3-14(20)29-15/h3-4,9-11H,2,5-8H2,1H3,(H,22,24) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
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) expressed in CHO cell membrane by [35S]GTPgammaS binding assay |
J Med Chem 56: 7015-24 (2013)
Article DOI: 10.1021/jm400820m BindingDB Entry DOI: 10.7270/Q29K4CNV |
More data for this Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50439273
(CHEMBL2419494)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)C(=O)NS(=O)(=O)Cc1ccc(cc1)C(C)C Show InChI InChI=1S/C26H32N4O5S/c1-5-35-26(32)23-14-22(15-27)24(28-18(23)4)30-12-10-21(11-13-30)25(31)29-36(33,34)16-19-6-8-20(9-7-19)17(2)3/h6-9,14,17,21H,5,10-13,16H2,1-4H3,(H,29,31) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
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 Displacement of [125I]-AZ11931285 from P2Y12 receptor (unknown origin) expressed in CHO cell membrane after 1 hr by scintillation counting analysis |
J Med Chem 56: 7015-24 (2013)
Article DOI: 10.1021/jm400820m BindingDB Entry DOI: 10.7270/Q29K4CNV |
More data for this Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50439286
(CHEMBL2419482)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CC(C1)C(=O)NS(=O)(=O)Cc1ccccc1C Show InChI InChI=1S/C22H24N4O5S/c1-4-31-22(28)19-9-17(10-23)20(24-15(19)3)26-11-18(12-26)21(27)25-32(29,30)13-16-8-6-5-7-14(16)2/h5-9,18H,4,11-13H2,1-3H3,(H,25,27) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 180 | 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) expressed in CHO cell membrane by [35S]GTPgammaS binding assay |
J Med Chem 56: 7015-24 (2013)
Article DOI: 10.1021/jm400820m BindingDB Entry DOI: 10.7270/Q29K4CNV |
More data for this Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50439287
(CHEMBL2419481)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CC(C1)C(=O)NS(=O)(=O)CC1CCCCC1 Show InChI InChI=1S/C21H28N4O5S/c1-3-30-21(27)18-9-16(10-22)19(23-14(18)2)25-11-17(12-25)20(26)24-31(28,29)13-15-7-5-4-6-8-15/h9,15,17H,3-8,11-13H2,1-2H3,(H,24,26) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 180 | 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) expressed in CHO cell membrane by [35S]GTPgammaS binding assay |
J Med Chem 56: 7015-24 (2013)
Article DOI: 10.1021/jm400820m BindingDB Entry DOI: 10.7270/Q29K4CNV |
More data for this Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50439288
(CHEMBL2419500)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CC(C1)C(=O)NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C20H20N4O5S/c1-3-29-20(26)17-9-14(10-21)18(22-13(17)2)24-11-15(12-24)19(25)23-30(27,28)16-7-5-4-6-8-16/h4-9,15H,3,11-12H2,1-2H3,(H,23,25) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Displacement of [125I]-AZ11931285 from P2Y12 receptor (unknown origin) expressed in CHO cell membrane after 1 hr by scintillation counting analysis |
J Med Chem 56: 7015-24 (2013)
Article DOI: 10.1021/jm400820m BindingDB Entry DOI: 10.7270/Q29K4CNV |
More data for this Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50439269
(CHEMBL2419498)Show SMILES CCOC(=O)c1cnc(N2CCC(CC2)C(=O)NS(=O)(=O)c2ccc(Cl)s2)c(Cl)c1 Show InChI InChI=1S/C18H19Cl2N3O5S2/c1-2-28-18(25)12-9-13(19)16(21-10-12)23-7-5-11(6-8-23)17(24)22-30(26,27)15-4-3-14(20)29-15/h3-4,9-11H,2,5-8H2,1H3,(H,22,24) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Displacement of [125I]-AZ11931285 from P2Y12 receptor (unknown origin) expressed in CHO cell membrane after 1 hr by scintillation counting analysis |
J Med Chem 56: 7015-24 (2013)
Article DOI: 10.1021/jm400820m BindingDB Entry DOI: 10.7270/Q29K4CNV |
More data for this Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50439289
(CHEMBL2419480)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CC(C1)C(=O)NS(=O)(=O)CCc1ccccc1 Show InChI InChI=1S/C22H24N4O5S/c1-3-31-22(28)19-11-17(12-23)20(24-15(19)2)26-13-18(14-26)21(27)25-32(29,30)10-9-16-7-5-4-6-8-16/h4-8,11,18H,3,9-10,13-14H2,1-2H3,(H,25,27) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Displacement of [125I]-AZ11931285 from P2Y12 receptor (unknown origin) expressed in CHO cell membrane after 1 hr by scintillation counting analysis |
J Med Chem 56: 7015-24 (2013)
Article DOI: 10.1021/jm400820m BindingDB Entry DOI: 10.7270/Q29K4CNV |
More data for this Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50439284
(CHEMBL2419488)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CC(C1)C(=O)NS(=O)(=O)Cc1ccc(CO)cc1 Show InChI InChI=1S/C22H24N4O6S/c1-3-32-22(29)19-8-17(9-23)20(24-14(19)2)26-10-18(11-26)21(28)25-33(30,31)13-16-6-4-15(12-27)5-7-16/h4-8,18,27H,3,10-13H2,1-2H3,(H,25,28) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Displacement of [125I]-AZ11931285 from P2Y12 receptor (unknown origin) expressed in CHO cell membrane after 1 hr by scintillation counting analysis |
J Med Chem 56: 7015-24 (2013)
Article DOI: 10.1021/jm400820m BindingDB Entry DOI: 10.7270/Q29K4CNV |
More data for this Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50439273
(CHEMBL2419494)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)C(=O)NS(=O)(=O)Cc1ccc(cc1)C(C)C Show InChI InChI=1S/C26H32N4O5S/c1-5-35-26(32)23-14-22(15-27)24(28-18(23)4)30-12-10-21(11-13-30)25(31)29-36(33,34)16-19-6-8-20(9-7-19)17(2)3/h6-9,14,17,21H,5,10-13,16H2,1-4H3,(H,29,31) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 250 | 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) expressed in CHO cell membrane by [35S]GTPgammaS binding assay |
J Med Chem 56: 7015-24 (2013)
Article DOI: 10.1021/jm400820m BindingDB Entry DOI: 10.7270/Q29K4CNV |
More data for this Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50439285
(CHEMBL2419483)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CC(C1)C(=O)NS(=O)(=O)Cc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C22H21F3N4O5S/c1-3-34-21(31)18-8-15(9-26)19(27-13(18)2)29-10-16(11-29)20(30)28-35(32,33)12-14-5-4-6-17(7-14)22(23,24)25/h4-8,16H,3,10-12H2,1-2H3,(H,28,30) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 290 | 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) expressed in CHO cell membrane by [35S]GTPgammaS binding assay |
J Med Chem 56: 7015-24 (2013)
Article DOI: 10.1021/jm400820m BindingDB Entry DOI: 10.7270/Q29K4CNV |
More data for this Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50439271
(CHEMBL2419496)Show SMILES CCOC(=O)c1cnc(N2CC(C2)C(=O)NS(=O)(=O)c2ccc(Cl)s2)c(Cl)c1 Show InChI InChI=1S/C16H15Cl2N3O5S2/c1-2-26-16(23)9-5-11(17)14(19-6-9)21-7-10(8-21)15(22)20-28(24,25)13-4-3-12(18)27-13/h3-6,10H,2,7-8H2,1H3,(H,20,22) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 310 | 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) expressed in CHO cell membrane by [35S]GTPgammaS binding assay |
J Med Chem 56: 7015-24 (2013)
Article DOI: 10.1021/jm400820m BindingDB Entry DOI: 10.7270/Q29K4CNV |
More data for this Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50439271
(CHEMBL2419496)Show SMILES CCOC(=O)c1cnc(N2CC(C2)C(=O)NS(=O)(=O)c2ccc(Cl)s2)c(Cl)c1 Show InChI InChI=1S/C16H15Cl2N3O5S2/c1-2-26-16(23)9-5-11(17)14(19-6-9)21-7-10(8-21)15(22)20-28(24,25)13-4-3-12(18)27-13/h3-6,10H,2,7-8H2,1H3,(H,20,22) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 480 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Antagonist activity at human P2Y12 receptor assessed as inhibition of fibrinogen-induced platelet aggregation by washed platelet assay |
J Med Chem 56: 7015-24 (2013)
Article DOI: 10.1021/jm400820m BindingDB Entry DOI: 10.7270/Q29K4CNV |
More data for this Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50439271
(CHEMBL2419496)Show SMILES CCOC(=O)c1cnc(N2CC(C2)C(=O)NS(=O)(=O)c2ccc(Cl)s2)c(Cl)c1 Show InChI InChI=1S/C16H15Cl2N3O5S2/c1-2-26-16(23)9-5-11(17)14(19-6-9)21-7-10(8-21)15(22)20-28(24,25)13-4-3-12(18)27-13/h3-6,10H,2,7-8H2,1H3,(H,20,22) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Displacement of [125I]-AZ11931285 from P2Y12 receptor (unknown origin) expressed in CHO cell membrane after 1 hr by scintillation counting analysis |
J Med Chem 56: 7015-24 (2013)
Article DOI: 10.1021/jm400820m BindingDB Entry DOI: 10.7270/Q29K4CNV |
More data for this Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50439283
(CHEMBL2419489)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)C(=O)NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C22H24N4O5S/c1-3-31-22(28)19-13-17(14-23)20(24-15(19)2)26-11-9-16(10-12-26)21(27)25-32(29,30)18-7-5-4-6-8-18/h4-8,13,16H,3,9-12H2,1-2H3,(H,25,27) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 710 | 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) expressed in CHO cell membrane by [35S]GTPgammaS binding assay |
J Med Chem 56: 7015-24 (2013)
Article DOI: 10.1021/jm400820m BindingDB Entry DOI: 10.7270/Q29K4CNV |
More data for this Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50439284
(CHEMBL2419488)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CC(C1)C(=O)NS(=O)(=O)Cc1ccc(CO)cc1 Show InChI InChI=1S/C22H24N4O6S/c1-3-32-22(29)19-8-17(9-23)20(24-14(19)2)26-10-18(11-26)21(28)25-33(30,31)13-16-6-4-15(12-27)5-7-16/h4-8,18,27H,3,10-13H2,1-2H3,(H,25,28) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 730 | 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) expressed in CHO cell membrane by [35S]GTPgammaS binding assay |
J Med Chem 56: 7015-24 (2013)
Article DOI: 10.1021/jm400820m BindingDB Entry DOI: 10.7270/Q29K4CNV |
More data for this Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50439269
(CHEMBL2419498)Show SMILES CCOC(=O)c1cnc(N2CCC(CC2)C(=O)NS(=O)(=O)c2ccc(Cl)s2)c(Cl)c1 Show InChI InChI=1S/C18H19Cl2N3O5S2/c1-2-28-18(25)12-9-13(19)16(21-10-12)23-7-5-11(6-8-23)17(24)22-30(26,27)15-4-3-14(20)29-15/h3-4,9-11H,2,5-8H2,1H3,(H,22,24) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 740 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Antagonist activity at human P2Y12 receptor assessed as inhibition of fibrinogen-induced platelet aggregation by washed platelet assay |
J Med Chem 56: 7015-24 (2013)
Article DOI: 10.1021/jm400820m BindingDB Entry DOI: 10.7270/Q29K4CNV |
More data for this Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50439288
(CHEMBL2419500)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CC(C1)C(=O)NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C20H20N4O5S/c1-3-29-20(26)17-9-14(10-21)18(22-13(17)2)24-11-15(12-24)19(25)23-30(27,28)16-7-5-4-6-8-16/h4-9,15H,3,11-12H2,1-2H3,(H,23,25) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 840 | 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) expressed in CHO cell membrane by [35S]GTPgammaS binding assay |
J Med Chem 56: 7015-24 (2013)
Article DOI: 10.1021/jm400820m BindingDB Entry DOI: 10.7270/Q29K4CNV |
More data for this Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50439279
(CHEMBL2419486)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CC(C1)C(=O)NS(=O)(=O)Cc1ccc(F)cc1 Show InChI InChI=1S/C21H21FN4O5S/c1-3-31-21(28)18-8-15(9-23)19(24-13(18)2)26-10-16(11-26)20(27)25-32(29,30)12-14-4-6-17(22)7-5-14/h4-8,16H,3,10-12H2,1-2H3,(H,25,27) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Antagonist activity at P2Y12 receptor in human whole blood assessed as inhibition of ADP-induced platelet aggregation after 5 mins by residual platel... |
J Med Chem 56: 7015-24 (2013)
Article DOI: 10.1021/jm400820m BindingDB Entry DOI: 10.7270/Q29K4CNV |
More data for this Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50439278
(CHEMBL2419487)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CC(C1)C(=O)NS(=O)(=O)Cc1ccc(C)cc1 Show InChI InChI=1S/C22H24N4O5S/c1-4-31-22(28)19-9-17(10-23)20(24-15(19)3)26-11-18(12-26)21(27)25-32(29,30)13-16-7-5-14(2)6-8-16/h5-9,18H,4,11-13H2,1-3H3,(H,25,27) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Antagonist activity at P2Y12 receptor in human whole blood assessed as inhibition of ADP-induced platelet aggregation after 5 mins by residual platel... |
J Med Chem 56: 7015-24 (2013)
Article DOI: 10.1021/jm400820m BindingDB Entry DOI: 10.7270/Q29K4CNV |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50439273
(CHEMBL2419494)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)C(=O)NS(=O)(=O)Cc1ccc(cc1)C(C)C Show InChI InChI=1S/C26H32N4O5S/c1-5-35-26(32)23-14-22(15-27)24(28-18(23)4)30-12-10-21(11-13-30)25(31)29-36(33,34)16-19-6-8-20(9-7-19)17(2)3/h6-9,14,17,21H,5,10-13,16H2,1-4H3,(H,29,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of human recombinant CYP2C9 |
J Med Chem 56: 7015-24 (2013)
Article DOI: 10.1021/jm400820m BindingDB Entry DOI: 10.7270/Q29K4CNV |
More data for this Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50439281
(CHEMBL2419501)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CC(C1)C(=O)NS(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C21H22N4O5S/c1-3-30-21(27)18-9-16(10-22)19(23-14(18)2)25-11-17(12-25)20(26)24-31(28,29)13-15-7-5-4-6-8-15/h4-9,17H,3,11-13H2,1-2H3,(H,24,26) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Antagonist activity at P2Y12 receptor in human whole blood assessed as inhibition of ADP-induced platelet aggregation after 5 mins by residual platel... |
J Med Chem 56: 7015-24 (2013)
Article DOI: 10.1021/jm400820m BindingDB Entry DOI: 10.7270/Q29K4CNV |
More data for this Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50439272
(CHEMBL2419495)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)C(=O)NS(=O)(=O)Cc1ccc(F)cc1F Show InChI InChI=1S/C23H24F2N4O5S/c1-3-34-23(31)19-10-17(12-26)21(27-14(19)2)29-8-6-15(7-9-29)22(30)28-35(32,33)13-16-4-5-18(24)11-20(16)25/h4-5,10-11,15H,3,6-9,13H2,1-2H3,(H,28,30) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Antagonist activity at P2Y12 receptor in human whole blood assessed as inhibition of ADP-induced platelet aggregation after 5 mins by residual platel... |
J Med Chem 56: 7015-24 (2013)
Article DOI: 10.1021/jm400820m BindingDB Entry DOI: 10.7270/Q29K4CNV |
More data for this Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50439280
(CHEMBL2419485)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CC(C1)C(=O)NS(=O)(=O)Cc1ccc(Cl)cc1 Show InChI InChI=1S/C21H21ClN4O5S/c1-3-31-21(28)18-8-15(9-23)19(24-13(18)2)26-10-16(11-26)20(27)25-32(29,30)12-14-4-6-17(22)7-5-14/h4-8,16H,3,10-12H2,1-2H3,(H,25,27) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Antagonist activity at P2Y12 receptor in human whole blood assessed as inhibition of ADP-induced platelet aggregation after 5 mins by residual platel... |
J Med Chem 56: 7015-24 (2013)
Article DOI: 10.1021/jm400820m BindingDB Entry DOI: 10.7270/Q29K4CNV |
More data for this Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50439276
(CHEMBL2419491)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)C(=O)NS(=O)(=O)Cc1ccc(F)cc1 Show InChI InChI=1S/C23H25FN4O5S/c1-3-33-23(30)20-12-18(13-25)21(26-15(20)2)28-10-8-17(9-11-28)22(29)27-34(31,32)14-16-4-6-19(24)7-5-16/h4-7,12,17H,3,8-11,14H2,1-2H3,(H,27,29) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Antagonist activity at P2Y12 receptor in human whole blood assessed as inhibition of ADP-induced platelet aggregation after 5 mins by residual platel... |
J Med Chem 56: 7015-24 (2013)
Article DOI: 10.1021/jm400820m BindingDB Entry DOI: 10.7270/Q29K4CNV |
More data for this Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50439274
(CHEMBL2419493)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)C(=O)NS(=O)(=O)Cc1ccc(C)cc1 Show InChI InChI=1S/C24H28N4O5S/c1-4-33-24(30)21-13-20(14-25)22(26-17(21)3)28-11-9-19(10-12-28)23(29)27-34(31,32)15-18-7-5-16(2)6-8-18/h5-8,13,19H,4,9-12,15H2,1-3H3,(H,27,29) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Antagonist activity at P2Y12 receptor in human whole blood assessed as inhibition of ADP-induced platelet aggregation after 5 mins by residual platel... |
J Med Chem 56: 7015-24 (2013)
Article DOI: 10.1021/jm400820m BindingDB Entry DOI: 10.7270/Q29K4CNV |
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 at P2Y12 receptor in human whole blood assessed as inhibition of ADP-induced platelet aggregation after 5 mins by residual platel... |
J Med Chem 56: 7015-24 (2013)
Article DOI: 10.1021/jm400820m BindingDB Entry DOI: 10.7270/Q29K4CNV |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cytochrome P450 2C9
(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 MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 3.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of human recombinant CYP2C9 |
J Med Chem 56: 7015-24 (2013)
Article DOI: 10.1021/jm400820m BindingDB Entry DOI: 10.7270/Q29K4CNV |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50439272
(CHEMBL2419495)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)C(=O)NS(=O)(=O)Cc1ccc(F)cc1F Show InChI InChI=1S/C23H24F2N4O5S/c1-3-34-23(31)19-10-17(12-26)21(27-14(19)2)29-8-6-15(7-9-29)22(30)28-35(32,33)13-16-4-5-18(24)11-20(16)25/h4-5,10-11,15H,3,6-9,13H2,1-2H3,(H,28,30) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of human recombinant CYP2C9 |
J Med Chem 56: 7015-24 (2013)
Article DOI: 10.1021/jm400820m BindingDB Entry DOI: 10.7270/Q29K4CNV |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50439276
(CHEMBL2419491)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)C(=O)NS(=O)(=O)Cc1ccc(F)cc1 Show InChI InChI=1S/C23H25FN4O5S/c1-3-33-23(30)20-12-18(13-25)21(26-15(20)2)28-10-8-17(9-11-28)22(29)27-34(31,32)14-16-4-6-19(24)7-5-16/h4-7,12,17H,3,8-11,14H2,1-2H3,(H,27,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of human recombinant CYP2C9 |
J Med Chem 56: 7015-24 (2013)
Article DOI: 10.1021/jm400820m BindingDB Entry DOI: 10.7270/Q29K4CNV |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50439280
(CHEMBL2419485)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CC(C1)C(=O)NS(=O)(=O)Cc1ccc(Cl)cc1 Show InChI InChI=1S/C21H21ClN4O5S/c1-3-31-21(28)18-8-15(9-23)19(24-13(18)2)26-10-16(11-26)20(27)25-32(29,30)12-14-4-6-17(22)7-5-14/h4-8,16H,3,10-12H2,1-2H3,(H,25,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of human recombinant CYP2C9 |
J Med Chem 56: 7015-24 (2013)
Article DOI: 10.1021/jm400820m BindingDB Entry DOI: 10.7270/Q29K4CNV |
More data for this Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50439275
(CHEMBL2419492)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)C(=O)NS(=O)(=O)Cc1ccc(OC)cc1 Show InChI InChI=1S/C24H28N4O6S/c1-4-34-24(30)21-13-19(14-25)22(26-16(21)2)28-11-9-18(10-12-28)23(29)27-35(31,32)15-17-5-7-20(33-3)8-6-17/h5-8,13,18H,4,9-12,15H2,1-3H3,(H,27,29) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 9.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Antagonist activity at P2Y12 receptor in human whole blood assessed as inhibition of ADP-induced platelet aggregation after 5 mins by residual platel... |
J Med Chem 56: 7015-24 (2013)
Article DOI: 10.1021/jm400820m BindingDB Entry DOI: 10.7270/Q29K4CNV |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50439275
(CHEMBL2419492)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)C(=O)NS(=O)(=O)Cc1ccc(OC)cc1 Show InChI InChI=1S/C24H28N4O6S/c1-4-34-24(30)21-13-19(14-25)22(26-16(21)2)28-11-9-18(10-12-28)23(29)27-35(31,32)15-17-5-7-20(33-3)8-6-17/h5-8,13,18H,4,9-12,15H2,1-3H3,(H,27,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of human recombinant CYP2C9 |
J Med Chem 56: 7015-24 (2013)
Article DOI: 10.1021/jm400820m BindingDB Entry DOI: 10.7270/Q29K4CNV |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50439274
(CHEMBL2419493)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)C(=O)NS(=O)(=O)Cc1ccc(C)cc1 Show InChI InChI=1S/C24H28N4O5S/c1-4-33-24(30)21-13-20(14-25)22(26-17(21)3)28-11-9-19(10-12-28)23(29)27-34(31,32)15-18-7-5-16(2)6-8-18/h5-8,13,19H,4,9-12,15H2,1-3H3,(H,27,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of human recombinant CYP2C9 |
J Med Chem 56: 7015-24 (2013)
Article DOI: 10.1021/jm400820m BindingDB Entry DOI: 10.7270/Q29K4CNV |
More data for this Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50439282
(CHEMBL2419484)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CC(C1)C(=O)NS(=O)(=O)Cc1cccc(C)c1 Show InChI InChI=1S/C22H24N4O5S/c1-4-31-22(28)19-9-17(10-23)20(24-15(19)3)26-11-18(12-26)21(27)25-32(29,30)13-16-7-5-6-14(2)8-16/h5-9,18H,4,11-13H2,1-3H3,(H,25,27) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Antagonist activity at P2Y12 receptor in human whole blood assessed as inhibition of ADP-induced platelet aggregation after 5 mins by residual platel... |
J Med Chem 56: 7015-24 (2013)
Article DOI: 10.1021/jm400820m BindingDB Entry DOI: 10.7270/Q29K4CNV |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50439278
(CHEMBL2419487)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CC(C1)C(=O)NS(=O)(=O)Cc1ccc(C)cc1 Show InChI InChI=1S/C22H24N4O5S/c1-4-31-22(28)19-9-17(10-23)20(24-15(19)3)26-11-18(12-26)21(27)25-32(29,30)13-16-7-5-14(2)6-8-16/h5-9,18H,4,11-13H2,1-3H3,(H,25,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
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 Inhibition of human recombinant CYP2C9 |
J Med Chem 56: 7015-24 (2013)
Article DOI: 10.1021/jm400820m BindingDB Entry DOI: 10.7270/Q29K4CNV |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50439279
(CHEMBL2419486)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CC(C1)C(=O)NS(=O)(=O)Cc1ccc(F)cc1 Show InChI InChI=1S/C21H21FN4O5S/c1-3-31-21(28)18-8-15(9-23)19(24-13(18)2)26-10-16(11-26)20(27)25-32(29,30)12-14-4-6-17(22)7-5-14/h4-8,16H,3,10-12H2,1-2H3,(H,25,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
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 Inhibition of human recombinant CYP2C9 |
J Med Chem 56: 7015-24 (2013)
Article DOI: 10.1021/jm400820m BindingDB Entry DOI: 10.7270/Q29K4CNV |
More data for this Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50439270
(CHEMBL2419497)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CC(C1)C(=O)NS(=O)(=O)c1ccc(Cl)s1 Show InChI InChI=1S/C18H17ClN4O5S2/c1-3-28-18(25)13-6-11(7-20)16(21-10(13)2)23-8-12(9-23)17(24)22-30(26,27)15-5-4-14(19)29-15/h4-6,12H,3,8-9H2,1-2H3,(H,22,24) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >2.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Antagonist activity at P2Y12 receptor in human whole blood assessed as inhibition of ADP-induced platelet aggregation after 5 mins by residual platel... |
J Med Chem 56: 7015-24 (2013)
Article DOI: 10.1021/jm400820m BindingDB Entry DOI: 10.7270/Q29K4CNV |
More data for this Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50439268
(CHEMBL2419499)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)C(=O)NS(=O)(=O)c1ccc(Cl)s1 Show InChI InChI=1S/C20H21ClN4O5S2/c1-3-30-20(27)15-10-14(11-22)18(23-12(15)2)25-8-6-13(7-9-25)19(26)24-32(28,29)17-5-4-16(21)31-17/h4-5,10,13H,3,6-9H2,1-2H3,(H,24,26) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >2.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Antagonist activity at P2Y12 receptor in human whole blood assessed as inhibition of ADP-induced platelet aggregation after 5 mins by residual platel... |
J Med Chem 56: 7015-24 (2013)
Article DOI: 10.1021/jm400820m BindingDB Entry DOI: 10.7270/Q29K4CNV |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50439281
(CHEMBL2419501)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CC(C1)C(=O)NS(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C21H22N4O5S/c1-3-30-21(27)18-9-16(10-22)19(23-14(18)2)25-11-17(12-25)20(26)24-31(28,29)13-15-7-5-4-6-8-15/h4-9,17H,3,11-13H2,1-2H3,(H,24,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of human recombinant CYP2C9 |
J Med Chem 56: 7015-24 (2013)
Article DOI: 10.1021/jm400820m BindingDB Entry DOI: 10.7270/Q29K4CNV |
More data for this Ligand-Target Pair | |