Compile Data Set for Download or QSAR

Found 107 hits with Last Name = 'zachrisson' and Initial = 'h'   

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 Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	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 KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	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))	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))	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	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 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	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))	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))	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))	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))	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))	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	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))	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))	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	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 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) 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))	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))	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	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))	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))	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))	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	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 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) 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))	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))	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	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 KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	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 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	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 KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	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))	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))	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	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))	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))	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	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 KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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) 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))	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))	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))	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))	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))	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))	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

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