Compile Data Set for Download or QSAR

Found 110 hits with Last Name = 'douglass' and Initial = 'jg'   

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))	BDBM50371580 (CHEMBL1162175) Show SMILES CCNC(=O)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@H]2O[C@@H](O[C@@H]12)\C=C\c1ccccc1 |r| Show InChI InChI=1S/C22H25N6O8P/c1-2-23-22(29)27-19-16-20(25-11-24-19)28(12-26-16)21-18-17(14(34-21)10-33-37(30,31)32)35-15(36-18)9-8-13-6-4-3-5-7-13/h3-9,11-12,14-15,17-18,21H,2,10H2,1H3,(H2,30,31,32)(H2,23,24,25,27,29)/b9-8+/t14-,15+,17-,18-,21-/m1/s1	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
Inspire Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor assessed as inhibition of ADP-induced human platelet aggregation by washed platelet assay				J Med Chem 51: 1007-25 (2008) Article DOI: 10.1021/jm701348d BindingDB Entry DOI: 10.7270/Q2P55PB6
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50371581 (CHEMBL1162179) Show SMILES CCNC(=O)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@H]2OC(O[C@@H]12)c1ccccc1 |r| Show InChI InChI=1S/C20H23N6O8P/c1-2-21-20(27)25-16-13-17(23-9-22-16)26(10-24-13)18-15-14(12(32-18)8-31-35(28,29)30)33-19(34-15)11-6-4-3-5-7-11/h3-7,9-10,12,14-15,18-19H,2,8H2,1H3,(H2,28,29,30)(H2,21,22,23,25,27)/t12-,14-,15-,18-,19?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Inspire Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor assessed as inhibition of ADP-induced human platelet aggregation by washed platelet assay				J Med Chem 51: 1007-25 (2008) Article DOI: 10.1021/jm701348d BindingDB Entry DOI: 10.7270/Q2P55PB6
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50374555 (REGRELOR DISODIUM) Show SMILES CCNC(=O)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])([O-])=O)[C@H]2O[C@@H](O[C@@H]12)\C=C\c1ccccc1 Show InChI InChI=1S/C22H25N6O8P/c1-2-23-22(29)27-19-16-20(25-11-24-19)28(12-26-16)21-18-17(14(34-21)10-33-37(30,31)32)35-15(36-18)9-8-13-6-4-3-5-7-13/h3-9,11-12,14-15,17-18,21H,2,10H2,1H3,(H2,30,31,32)(H2,23,24,25,27,29)/p-2/b9-8+/t14-,15+,17-,18-,21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase 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
Inspire Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor assessed as platelet aggregation by washed platelet assay				Bioorg Med Chem Lett 18: 2167-71 (2008) Article DOI: 10.1016/j.bmcl.2008.01.038 BindingDB Entry DOI: 10.7270/Q2GM885R
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50371580 (CHEMBL1162175) Show SMILES CCNC(=O)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@H]2O[C@@H](O[C@@H]12)\C=C\c1ccccc1 |r| Show InChI InChI=1S/C22H25N6O8P/c1-2-23-22(29)27-19-16-20(25-11-24-19)28(12-26-16)21-18-17(14(34-21)10-33-37(30,31)32)35-15(36-18)9-8-13-6-4-3-5-7-13/h3-9,11-12,14-15,17-18,21H,2,10H2,1H3,(H2,30,31,32)(H2,23,24,25,27,29)/b9-8+/t14-,15+,17-,18-,21-/m1/s1	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
Inspire Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor assessed as inhibition of ADP-induced human platelet aggregation by washed platelet assay				J Med Chem 51: 1007-25 (2008) Article DOI: 10.1021/jm701348d BindingDB Entry DOI: 10.7270/Q2P55PB6
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50371582 (CHEMBL1162182) Show SMILES OP(O)(=O)OC[C@H]1O[C@H]([C@@H]2OC(Cc3ccccc3)O[C@H]12)n1cnc2c(NC(=O)NC3CCCC3)ncnc12 |r| Show InChI InChI=1S/C24H29N6O8P/c31-24(28-15-8-4-5-9-15)29-21-18-22(26-12-25-21)30(13-27-18)23-20-19(16(36-23)11-35-39(32,33)34)37-17(38-20)10-14-6-2-1-3-7-14/h1-3,6-7,12-13,15-17,19-20,23H,4-5,8-11H2,(H2,32,33,34)(H2,25,26,28,29,31)/t16-,17?,19-,20-,23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	36.2	n/a	n/a	n/a	n/a	n/a	n/a
Inspire Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor assessed as inhibition of ADP-induced human platelet aggregation by washed platelet assay				J Med Chem 51: 1007-25 (2008) Article DOI: 10.1021/jm701348d BindingDB Entry DOI: 10.7270/Q2P55PB6
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50374558 (CHEMBL255350) Show SMILES CCNC(=O)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COCc2ccccc2C(O)=O)[C@H]2O[C@@H](O[C@@H]12)\C=C\c1ccccc1 Show InChI InChI=1S/C30H30N6O7/c1-2-31-30(39)35-26-23-27(33-16-32-26)36(17-34-23)28-25-24(42-22(43-25)13-12-18-8-4-3-5-9-18)21(41-28)15-40-14-19-10-6-7-11-20(19)29(37)38/h3-13,16-17,21-22,24-25,28H,2,14-15H2,1H3,(H,37,38)(H2,31,32,33,35,39)/b13-12+/t21-,22+,24-,25-,28-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Inspire Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor assessed as platelet aggregation by washed platelet assay				Bioorg Med Chem Lett 18: 2167-71 (2008) Article DOI: 10.1016/j.bmcl.2008.01.038 BindingDB Entry DOI: 10.7270/Q2GM885R
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50371583 (CHEMBL1162184) Show SMILES CCNC(=O)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@H]2OC(Cc3ccccc3)O[C@@H]12 |r| Show InChI InChI=1S/C21H25N6O8P/c1-2-22-21(28)26-18-15-19(24-10-23-18)27(11-25-15)20-17-16(13(33-20)9-32-36(29,30)31)34-14(35-17)8-12-6-4-3-5-7-12/h3-7,10-11,13-14,16-17,20H,2,8-9H2,1H3,(H2,29,30,31)(H2,22,23,24,26,28)/t13-,14?,16-,17-,20-/m1/s1	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
Inspire Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor assessed as inhibition of ADP-induced human platelet aggregation by washed platelet assay				J Med Chem 51: 1007-25 (2008) Article DOI: 10.1021/jm701348d BindingDB Entry DOI: 10.7270/Q2P55PB6
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50371589 (CHEMBL1162196) Show SMILES Nc1ccn([C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@@H]3O[C@@H]([C@H]4O[C@@H](Cc5ccccc5)O[C@@H]34)n3ccc(=O)[nH]c3=O)[C@H]3O[C@@H](Cc4ccccc4)O[C@@H]23)c(=O)n1 |r| Show InChI InChI=1S/C34H39N5O22P4/c35-23-11-13-38(33(41)36-23)31-29-27(55-25(57-29)15-19-7-3-1-4-8-19)21(53-31)17-51-62(43,44)59-64(47,48)61-65(49,50)60-63(45,46)52-18-22-28-30(32(54-22)39-14-12-24(40)37-34(39)42)58-26(56-28)16-20-9-5-2-6-10-20/h1-14,21-22,25-32H,15-18H2,(H,43,44)(H,45,46)(H,47,48)(H,49,50)(H2,35,36,41)(H,37,40,42)/t21-,22+,25-,26+,27-,28+,29-,30+,31-,32+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
Inspire Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor assessed as inhibition of ADP-induced human platelet aggregation by washed platelet assay				J Med Chem 51: 1007-25 (2008) Article DOI: 10.1021/jm701348d BindingDB Entry DOI: 10.7270/Q2P55PB6
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50371594 (CHEMBL1162161) Show SMILES OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@@H]2O[C@H](Cc3ccccc3)O[C@H]12)n1cnc2c(NC(=O)Nc3ccccc3)ncnc12 |r| Show InChI InChI=1S/C25H26N6O11P2/c32-25(29-16-9-5-2-6-10-16)30-22-19-23(27-13-26-22)31(14-28-19)24-21-20(40-18(41-21)11-15-7-3-1-4-8-15)17(39-24)12-38-44(36,37)42-43(33,34)35/h1-10,13-14,17-18,20-21,24H,11-12H2,(H,36,37)(H2,33,34,35)(H2,26,27,29,30,32)/t17-,18-,20-,21-,24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
Inspire Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor assessed as inhibition of ADP-induced human platelet aggregation by washed platelet assay				J Med Chem 51: 1007-25 (2008) Article DOI: 10.1021/jm701348d BindingDB Entry DOI: 10.7270/Q2P55PB6
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50371584 (CHEMBL1162185) Show SMILES CCCCCCNC(=O)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@H]2OC(Cc3ccccc3)O[C@@H]12 |r| Show InChI InChI=1S/C25H33N6O8P/c1-2-3-4-8-11-26-25(32)30-22-19-23(28-14-27-22)31(15-29-19)24-21-20(17(37-24)13-36-40(33,34)35)38-18(39-21)12-16-9-6-5-7-10-16/h5-7,9-10,14-15,17-18,20-21,24H,2-4,8,11-13H2,1H3,(H2,33,34,35)(H2,26,27,28,30,32)/t17-,18?,20-,21-,24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
Inspire Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor assessed as inhibition of ADP-induced human platelet aggregation by washed platelet assay				J Med Chem 51: 1007-25 (2008) Article DOI: 10.1021/jm701348d BindingDB Entry DOI: 10.7270/Q2P55PB6
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50371585 (CHEMBL1162188) Show SMILES OP(O)(=O)OC[C@H]1O[C@H]([C@@H]2OC(Cc3ccccc3)O[C@H]12)n1cnc2c(NC(=O)Nc3ccccc3)ncnc12 |r| Show InChI InChI=1S/C25H25N6O8P/c32-25(29-16-9-5-2-6-10-16)30-22-19-23(27-13-26-22)31(14-28-19)24-21-20(17(37-24)12-36-40(33,34)35)38-18(39-21)11-15-7-3-1-4-8-15/h1-10,13-14,17-18,20-21,24H,11-12H2,(H2,33,34,35)(H2,26,27,29,30,32)/t17-,18?,20-,21-,24-/m1/s1	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
Inspire Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor assessed as inhibition of ADP-induced human platelet aggregation by washed platelet assay				J Med Chem 51: 1007-25 (2008) Article DOI: 10.1021/jm701348d BindingDB Entry DOI: 10.7270/Q2P55PB6
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50374572 (CHEMBL403010) Show SMILES CCNC(=O)Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@H]2O[C@@H](O[C@@H]12)\C=C\c1ccccc1)C(O)=O Show InChI InChI=1S/C22H22N6O6/c1-2-23-22(31)27-18-14-19(25-10-24-18)28(11-26-14)20-16-15(17(34-20)21(29)30)32-13(33-16)9-8-12-6-4-3-5-7-12/h3-11,13,15-17,20H,2H2,1H3,(H,29,30)(H2,23,24,25,27,31)/b9-8+/t13-,15-,16+,17-,20+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	201	n/a	n/a	n/a	n/a	n/a	n/a
Inspire Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor assessed as platelet aggregation by washed platelet assay				Bioorg Med Chem Lett 18: 2167-71 (2008) Article DOI: 10.1016/j.bmcl.2008.01.038 BindingDB Entry DOI: 10.7270/Q2GM885R
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50371578 (CHEMBL1162172) Show SMILES OP(O)(=O)OC[C@H]1O[C@H]([C@@H]2OC(O[C@H]12)\C=C\c1ccccc1)n1cnc2c(NC(=O)Nc3ccccc3)ncnc12 |r| Show InChI InChI=1S/C26H25N6O8P/c33-26(30-17-9-5-2-6-10-17)31-23-20-24(28-14-27-23)32(15-29-20)25-22-21(18(38-25)13-37-41(34,35)36)39-19(40-22)12-11-16-7-3-1-4-8-16/h1-12,14-15,18-19,21-22,25H,13H2,(H2,34,35,36)(H2,27,28,30,31,33)/b12-11+/t18-,19?,21-,22-,25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Inspire Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor assessed as inhibition of ADP-induced human platelet aggregation by washed platelet assay				J Med Chem 51: 1007-25 (2008) Article DOI: 10.1021/jm701348d BindingDB Entry DOI: 10.7270/Q2P55PB6
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50371577 (CHEMBL1162173) Show SMILES CCCCCCNC(=O)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@H]2OC(O[C@@H]12)C#Cc1ccccc1 |r| Show InChI InChI=1S/C26H31N6O8P/c1-2-3-4-8-13-27-26(33)31-23-20-24(29-15-28-23)32(16-30-20)25-22-21(18(38-25)14-37-41(34,35)36)39-19(40-22)12-11-17-9-6-5-7-10-17/h5-7,9-10,15-16,18-19,21-22,25H,2-4,8,13-14H2,1H3,(H2,34,35,36)(H2,27,28,29,31,33)/t18-,19?,21-,22-,25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	211	n/a	n/a	n/a	n/a	n/a	n/a
Inspire Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor assessed as inhibition of ADP-induced human platelet aggregation by washed platelet assay				J Med Chem 51: 1007-25 (2008) Article DOI: 10.1021/jm701348d BindingDB Entry DOI: 10.7270/Q2P55PB6
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50371579 (CHEMBL1162171) Show SMILES CCCCCCNC(=O)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@H]2OC(O[C@@H]12)\C=C\c1ccccc1 |r| Show InChI InChI=1S/C26H33N6O8P/c1-2-3-4-8-13-27-26(33)31-23-20-24(29-15-28-23)32(16-30-20)25-22-21(18(38-25)14-37-41(34,35)36)39-19(40-22)12-11-17-9-6-5-7-10-17/h5-7,9-12,15-16,18-19,21-22,25H,2-4,8,13-14H2,1H3,(H2,34,35,36)(H2,27,28,29,31,33)/b12-11+/t18-,19?,21-,22-,25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	237	n/a	n/a	n/a	n/a	n/a	n/a
Inspire Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor assessed as inhibition of ADP-induced human platelet aggregation by washed platelet assay				J Med Chem 51: 1007-25 (2008) Article DOI: 10.1021/jm701348d BindingDB Entry DOI: 10.7270/Q2P55PB6
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50374559 (CHEMBL255349) Show SMILES CCNC(=O)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COCC(O)=O)[C@H]2O[C@@H](O[C@@H]12)\C=C\c1ccccc1 Show InChI InChI=1S/C24H26N6O7/c1-2-25-24(33)29-21-18-22(27-12-26-21)30(13-28-18)23-20-19(15(35-23)10-34-11-16(31)32)36-17(37-20)9-8-14-6-4-3-5-7-14/h3-9,12-13,15,17,19-20,23H,2,10-11H2,1H3,(H,31,32)(H2,25,26,27,29,33)/b9-8+/t15-,17+,19-,20-,23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	243	n/a	n/a	n/a	n/a	n/a	n/a
Inspire Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor assessed as platelet aggregation by washed platelet assay				Bioorg Med Chem Lett 18: 2167-71 (2008) Article DOI: 10.1016/j.bmcl.2008.01.038 BindingDB Entry DOI: 10.7270/Q2GM885R
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50371576 (CHEMBL1162164) Show SMILES OP(O)(=O)OC[C@H]1O[C@H]([C@@H]2OC(O[C@H]12)C#Cc1ccccc1)n1cnc2c(NC(=O)Nc3ccccc3)ncnc12 |r| Show InChI InChI=1S/C26H23N6O8P/c33-26(30-17-9-5-2-6-10-17)31-23-20-24(28-14-27-23)32(15-29-20)25-22-21(18(38-25)13-37-41(34,35)36)39-19(40-22)12-11-16-7-3-1-4-8-16/h1-10,14-15,18-19,21-22,25H,13H2,(H2,34,35,36)(H2,27,28,30,31,33)/t18-,19?,21-,22-,25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	288	n/a	n/a	n/a	n/a	n/a	n/a
Inspire Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor assessed as inhibition of ADP-induced human platelet aggregation by washed platelet assay				J Med Chem 51: 1007-25 (2008) Article DOI: 10.1021/jm701348d BindingDB Entry DOI: 10.7270/Q2P55PB6
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50374571 (CHEMBL272113) Show SMILES CCNC(=O)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CCC(O)=O)[C@H]2O[C@@H](O[C@@H]12)\C=C\c1ccccc1 Show InChI InChI=1S/C24H26N6O6/c1-2-25-24(33)29-21-18-22(27-12-26-21)30(13-28-18)23-20-19(15(34-23)9-10-16(31)32)35-17(36-20)11-8-14-6-4-3-5-7-14/h3-8,11-13,15,17,19-20,23H,2,9-10H2,1H3,(H,31,32)(H2,25,26,27,29,33)/b11-8+/t15-,17+,19-,20-,23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	495	n/a	n/a	n/a	n/a	n/a	n/a
Inspire Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor assessed as platelet aggregation by washed platelet assay				Bioorg Med Chem Lett 18: 2167-71 (2008) Article DOI: 10.1016/j.bmcl.2008.01.038 BindingDB Entry DOI: 10.7270/Q2GM885R
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50374566 (CHEMBL272975) Show SMILES CCNC(=O)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CNCC(O)=O)[C@H]2O[C@@H](O[C@@H]12)\C=C\c1ccccc1 Show InChI InChI=1S/C24H27N7O6/c1-2-26-24(34)30-21-18-22(28-12-27-21)31(13-29-18)23-20-19(15(35-23)10-25-11-16(32)33)36-17(37-20)9-8-14-6-4-3-5-7-14/h3-9,12-13,15,17,19-20,23,25H,2,10-11H2,1H3,(H,32,33)(H2,26,27,28,30,34)/b9-8+/t15-,17+,19-,20-,23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	513	n/a	n/a	n/a	n/a	n/a	n/a
Inspire Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor assessed as platelet aggregation by washed platelet assay				Bioorg Med Chem Lett 18: 2167-71 (2008) Article DOI: 10.1016/j.bmcl.2008.01.038 BindingDB Entry DOI: 10.7270/Q2GM885R
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50371593 (CHEMBL1162159) Show SMILES OP(=O)(OC[C@H]1O[C@H]([C@@H]2O[C@H](Cc3ccccc3)O[C@H]12)n1cnc2c(NC(=O)Nc3ccccc3)ncnc12)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@@H]1O[C@@H]([C@H]2O[C@@H](Cc3ccccc3)O[C@@H]12)n1cnc2c(NC(=O)Nc3ccccc3)ncnc12 |r| Show InChI InChI=1S/C50H50N12O21P4/c63-49(57-31-17-9-3-10-18-31)59-43-37-45(53-25-51-43)61(27-55-37)47-41-39(77-35(79-41)21-29-13-5-1-6-14-29)33(75-47)23-73-84(65,66)81-86(69,70)83-87(71,72)82-85(67,68)74-24-34-40-42(80-36(78-40)22-30-15-7-2-8-16-30)48(76-34)62-28-56-38-44(52-26-54-46(38)62)60-50(64)58-32-19-11-4-12-20-32/h1-20,25-28,33-36,39-42,47-48H,21-24H2,(H,65,66)(H,67,68)(H,69,70)(H,71,72)(H2,51,53,57,59,63)(H2,52,54,58,60,64)/t33-,34+,35-,36+,39-,40+,41-,42+,47-,48+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	522	n/a	n/a	n/a	n/a	n/a	n/a
Inspire Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor assessed as inhibition of ADP-induced human platelet aggregation by washed platelet assay				J Med Chem 51: 1007-25 (2008) Article DOI: 10.1021/jm701348d BindingDB Entry DOI: 10.7270/Q2P55PB6
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50374568 (CHEMBL401780) Show SMILES CCNC(=O)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CN(CC2CC2C(O)=O)CC2CC2C(O)=O)[C@H]2O[C@@H](O[C@@H]12)\C=C\c1ccccc1 |w:23.26,30.34,28.30,21.22| Show InChI InChI=1S/C32H37N7O8/c1-2-33-32(44)37-27-24-28(35-15-34-27)39(16-36-24)29-26-25(46-23(47-26)9-8-17-6-4-3-5-7-17)22(45-29)14-38(12-18-10-20(18)30(40)41)13-19-11-21(19)31(42)43/h3-9,15-16,18-23,25-26,29H,2,10-14H2,1H3,(H,40,41)(H,42,43)(H2,33,34,35,37,44)/b9-8+/t18?,19?,20?,21?,22-,23+,25-,26-,29-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	580	n/a	n/a	n/a	n/a	n/a	n/a
Inspire Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor assessed as platelet aggregation by washed platelet assay				Bioorg Med Chem Lett 18: 2167-71 (2008) Article DOI: 10.1016/j.bmcl.2008.01.038 BindingDB Entry DOI: 10.7270/Q2GM885R
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50374557 (CHEMBL267283) Show SMILES CCNC(=O)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COCc2cccc(c2)C(O)=O)[C@H]2O[C@@H](O[C@@H]12)\C=C\c1ccccc1 Show InChI InChI=1S/C30H30N6O7/c1-2-31-30(39)35-26-23-27(33-16-32-26)36(17-34-23)28-25-24(42-22(43-25)12-11-18-7-4-3-5-8-18)21(41-28)15-40-14-19-9-6-10-20(13-19)29(37)38/h3-13,16-17,21-22,24-25,28H,2,14-15H2,1H3,(H,37,38)(H2,31,32,33,35,39)/b12-11+/t21-,22+,24-,25-,28-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	616	n/a	n/a	n/a	n/a	n/a	n/a
Inspire Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor assessed as platelet aggregation by washed platelet assay				Bioorg Med Chem Lett 18: 2167-71 (2008) Article DOI: 10.1016/j.bmcl.2008.01.038 BindingDB Entry DOI: 10.7270/Q2GM885R
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50374560 (CHEMBL256251) Show SMILES CCNC(=O)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CC(O)=O)[C@H]2O[C@@H](O[C@@H]12)\C=C\c1ccccc1 Show InChI InChI=1S/C23H24N6O6/c1-2-24-23(32)28-20-17-21(26-11-25-20)29(12-27-17)22-19-18(14(33-22)10-15(30)31)34-16(35-19)9-8-13-6-4-3-5-7-13/h3-9,11-12,14,16,18-19,22H,2,10H2,1H3,(H,30,31)(H2,24,25,26,28,32)/b9-8+/t14-,16+,18-,19-,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	663	n/a	n/a	n/a	n/a	n/a	n/a
Inspire Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor assessed as platelet aggregation by washed platelet assay				Bioorg Med Chem Lett 18: 2167-71 (2008) Article DOI: 10.1016/j.bmcl.2008.01.038 BindingDB Entry DOI: 10.7270/Q2GM885R
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50374574 (CHEMBL265707) Show SMILES CCNC(=O)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@H]2O[C@@H](O[C@@H]12)\C=C\c1ccccc1 Show InChI InChI=1S/C22H24N6O5/c1-2-23-22(30)27-19-16-20(25-11-24-19)28(12-26-16)21-18-17(14(10-29)31-21)32-15(33-18)9-8-13-6-4-3-5-7-13/h3-9,11-12,14-15,17-18,21,29H,2,10H2,1H3,(H2,23,24,25,27,30)/b9-8+/t14-,15+,17-,18-,21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.27E+3	n/a	n/a	n/a	n/a	n/a	n/a
Inspire Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor assessed as platelet aggregation by washed platelet assay				Bioorg Med Chem Lett 18: 2167-71 (2008) Article DOI: 10.1016/j.bmcl.2008.01.038 BindingDB Entry DOI: 10.7270/Q2GM885R
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50374556 (CHEMBL412171) Show SMILES CCNC(=O)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COCc2ccc(cc2)C(O)=O)[C@H]2O[C@@H](O[C@@H]12)\C=C\c1ccccc1 Show InChI InChI=1S/C30H30N6O7/c1-2-31-30(39)35-26-23-27(33-16-32-26)36(17-34-23)28-25-24(42-22(43-25)13-10-18-6-4-3-5-7-18)21(41-28)15-40-14-19-8-11-20(12-9-19)29(37)38/h3-13,16-17,21-22,24-25,28H,2,14-15H2,1H3,(H,37,38)(H2,31,32,33,35,39)/b13-10+/t21-,22+,24-,25-,28-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.31E+3	n/a	n/a	n/a	n/a	n/a	n/a
Inspire Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor assessed as platelet aggregation by washed platelet assay				Bioorg Med Chem Lett 18: 2167-71 (2008) Article DOI: 10.1016/j.bmcl.2008.01.038 BindingDB Entry DOI: 10.7270/Q2GM885R
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50371603 (CHEMBL1162165) Show SMILES OP(=O)(OC[C@H]1O[C@H]([C@@H]2OC(Cc3ccccc3)O[C@H]12)n1ccc(=O)[nH]c1=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@@H]1O[C@@H]([C@H]2OC(Cc3ccccc3)O[C@@H]12)n1ccc(=O)[nH]c1=O |r| Show InChI InChI=1S/C34H38N4O23P4/c39-23-11-13-37(33(41)35-23)31-29-27(55-25(57-29)15-19-7-3-1-4-8-19)21(53-31)17-51-62(43,44)59-64(47,48)61-65(49,50)60-63(45,46)52-18-22-28-30(32(54-22)38-14-12-24(40)36-34(38)42)58-26(56-28)16-20-9-5-2-6-10-20/h1-14,21-22,25-32H,15-18H2,(H,43,44)(H,45,46)(H,47,48)(H,49,50)(H,35,39,41)(H,36,40,42)/t21-,22+,25?,26?,27-,28+,29-,30+,31-,32+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.82E+3	n/a	n/a	n/a	n/a	n/a	n/a
Inspire Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor assessed as inhibition of ADP-induced human platelet aggregation by washed platelet assay				J Med Chem 51: 1007-25 (2008) Article DOI: 10.1021/jm701348d BindingDB Entry DOI: 10.7270/Q2P55PB6
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50374565 (CHEMBL403011) Show SMILES CCNC(=O)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CNC(=O)c2cccs2)[C@H]2O[C@@H](O[C@@H]12)\C=C\c1ccccc1 Show InChI InChI=1S/C27H27N7O5S/c1-2-28-27(36)33-23-20-24(31-14-30-23)34(15-32-20)26-22-21(17(37-26)13-29-25(35)18-9-6-12-40-18)38-19(39-22)11-10-16-7-4-3-5-8-16/h3-12,14-15,17,19,21-22,26H,2,13H2,1H3,(H,29,35)(H2,28,30,31,33,36)/b11-10+/t17-,19+,21-,22-,26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.23E+3	n/a	n/a	n/a	n/a	n/a	n/a
Inspire Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor assessed as platelet aggregation by washed platelet assay				Bioorg Med Chem Lett 18: 2167-71 (2008) Article DOI: 10.1016/j.bmcl.2008.01.038 BindingDB Entry DOI: 10.7270/Q2GM885R
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50374561 (CHEMBL427723) Show SMILES CCNC(=O)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CS(=O)(=O)CC(O)=O)[C@H]2O[C@@H](O[C@@H]12)\C=C\c1ccccc1 Show InChI InChI=1S/C24H26N6O8S/c1-2-25-24(33)29-21-18-22(27-12-26-21)30(13-28-18)23-20-19(15(36-23)10-39(34,35)11-16(31)32)37-17(38-20)9-8-14-6-4-3-5-7-14/h3-9,12-13,15,17,19-20,23H,2,10-11H2,1H3,(H,31,32)(H2,25,26,27,29,33)/b9-8+/t15-,17+,19-,20-,23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.48E+3	n/a	n/a	n/a	n/a	n/a	n/a
Inspire Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor assessed as platelet aggregation by washed platelet assay				Bioorg Med Chem Lett 18: 2167-71 (2008) Article DOI: 10.1016/j.bmcl.2008.01.038 BindingDB Entry DOI: 10.7270/Q2GM885R
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50374564 (CHEMBL255553) Show SMILES CCNC(=O)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CS(=O)(=O)CC(C)O)[C@H]2O[C@@H](O[C@@H]12)\C=C\c1ccccc1 |w:23.26| Show InChI InChI=1S/C25H30N6O7S/c1-3-26-25(33)30-22-19-23(28-13-27-22)31(14-29-19)24-21-20(17(36-24)12-39(34,35)11-15(2)32)37-18(38-21)10-9-16-7-5-4-6-8-16/h4-10,13-15,17-18,20-21,24,32H,3,11-12H2,1-2H3,(H2,26,27,28,30,33)/b10-9+/t15?,17-,18+,20-,21-,24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.49E+3	n/a	n/a	n/a	n/a	n/a	n/a
Inspire Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor assessed as platelet aggregation by washed platelet assay				Bioorg Med Chem Lett 18: 2167-71 (2008) Article DOI: 10.1016/j.bmcl.2008.01.038 BindingDB Entry DOI: 10.7270/Q2GM885R
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50374567 (CHEMBL269934) Show SMILES CCNC(=O)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CNCc2ccccc2F)[C@H]2O[C@@H](O[C@@H]12)\C=C\c1ccccc1 Show InChI InChI=1S/C29H30FN7O4/c1-2-32-29(38)36-26-23-27(34-16-33-26)37(17-35-23)28-25-24(40-22(41-25)13-12-18-8-4-3-5-9-18)21(39-28)15-31-14-19-10-6-7-11-20(19)30/h3-13,16-17,21-22,24-25,28,31H,2,14-15H2,1H3,(H2,32,33,34,36,38)/b13-12+/t21-,22+,24-,25-,28-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.55E+3	n/a	n/a	n/a	n/a	n/a	n/a
Inspire Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor assessed as platelet aggregation by washed platelet assay				Bioorg Med Chem Lett 18: 2167-71 (2008) Article DOI: 10.1016/j.bmcl.2008.01.038 BindingDB Entry DOI: 10.7270/Q2GM885R
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50374569 (CHEMBL271643) Show SMILES CCNC(=O)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CNCC2CC2C(O)=O)[C@H]2O[C@@H](O[C@@H]12)\C=C\c1ccccc1 |w:23.26,21.22| Show InChI InChI=1S/C27H31N7O6/c1-2-29-27(37)33-23-20-24(31-13-30-23)34(14-32-20)25-22-21(18(38-25)12-28-11-16-10-17(16)26(35)36)39-19(40-22)9-8-15-6-4-3-5-7-15/h3-9,13-14,16-19,21-22,25,28H,2,10-12H2,1H3,(H,35,36)(H2,29,30,31,33,37)/b9-8+/t16?,17?,18-,19+,21-,22-,25-/m1/s1	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
Inspire Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor assessed as platelet aggregation by washed platelet assay				Bioorg Med Chem Lett 18: 2167-71 (2008) Article DOI: 10.1016/j.bmcl.2008.01.038 BindingDB Entry DOI: 10.7270/Q2GM885R
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50374575 (CHEMBL403928) Show SMILES CCNC(=O)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CNC(=O)CO)[C@H]2O[C@@H](O[C@@H]12)\C=C\c1ccccc1 Show InChI InChI=1S/C24H27N7O6/c1-2-25-24(34)30-21-18-22(28-12-27-21)31(13-29-18)23-20-19(15(35-23)10-26-16(33)11-32)36-17(37-20)9-8-14-6-4-3-5-7-14/h3-9,12-13,15,17,19-20,23,32H,2,10-11H2,1H3,(H,26,33)(H2,25,27,28,30,34)/b9-8+/t15-,17+,19-,20-,23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.95E+3	n/a	n/a	n/a	n/a	n/a	n/a
Inspire Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor assessed as platelet aggregation by washed platelet assay				Bioorg Med Chem Lett 18: 2167-71 (2008) Article DOI: 10.1016/j.bmcl.2008.01.038 BindingDB Entry DOI: 10.7270/Q2GM885R
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50371589 (CHEMBL1162196) Show SMILES Nc1ccn([C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@@H]3O[C@@H]([C@H]4O[C@@H](Cc5ccccc5)O[C@@H]34)n3ccc(=O)[nH]c3=O)[C@H]3O[C@@H](Cc4ccccc4)O[C@@H]23)c(=O)n1 |r| Show InChI InChI=1S/C34H39N5O22P4/c35-23-11-13-38(33(41)36-23)31-29-27(55-25(57-29)15-19-7-3-1-4-8-19)21(53-31)17-51-62(43,44)59-64(47,48)61-65(49,50)60-63(45,46)52-18-22-28-30(32(54-22)39-14-12-24(40)37-34(39)42)58-26(56-28)16-20-9-5-2-6-10-20/h1-14,21-22,25-32H,15-18H2,(H,43,44)(H,45,46)(H,47,48)(H,49,50)(H2,35,36,41)(H,37,40,42)/t21-,22+,25-,26+,27-,28+,29-,30+,31-,32+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.06E+3	n/a	n/a	n/a	n/a	n/a	n/a
Inspire Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor assessed as inhibition of ADP-induced human platelet aggregation by washed platelet assay				J Med Chem 51: 1007-25 (2008) Article DOI: 10.1021/jm701348d BindingDB Entry DOI: 10.7270/Q2P55PB6
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50371588 (CHEMBL1162195) Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(NC(=O)Nc3ccccc3)ncnc12 |r| Show InChI InChI=1S/C17H19N6O8P/c24-12-10(6-30-32(27,28)29)31-16(13(12)25)23-8-20-11-14(18-7-19-15(11)23)22-17(26)21-9-4-2-1-3-5-9/h1-5,7-8,10,12-13,16,24-25H,6H2,(H2,27,28,29)(H2,18,19,21,22,26)/t10-,12-,13-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.11E+3	n/a	n/a	n/a	n/a	n/a	n/a
Inspire Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor assessed as inhibition of ADP-induced human platelet aggregation by washed platelet assay				J Med Chem 51: 1007-25 (2008) Article DOI: 10.1021/jm701348d BindingDB Entry DOI: 10.7270/Q2P55PB6
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50371573 (CHEMBL1162158) Show SMILES OP(=O)(OC[C@H]1O[C@H]([C@@H]2OC(O[C@H]12)\C=C\c1ccccc1)n1ccc(=O)[nH]c1=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@@H]1O[C@@H]([C@H]2OC(O[C@@H]12)\C=C\c1ccccc1)n1ccc(=O)[nH]c1=O |r| Show InChI InChI=1S/C36H38N4O23P4/c41-25-15-17-39(35(43)37-25)33-31-29(57-27(59-31)13-11-21-7-3-1-4-8-21)23(55-33)19-53-64(45,46)61-66(49,50)63-67(51,52)62-65(47,48)54-20-24-30-32(34(56-24)40-18-16-26(42)38-36(40)44)60-28(58-30)14-12-22-9-5-2-6-10-22/h1-18,23-24,27-34H,19-20H2,(H,45,46)(H,47,48)(H,49,50)(H,51,52)(H,37,41,43)(H,38,42,44)/b13-11+,14-12+/t23-,24+,27?,28?,29-,30+,31-,32+,33-,34+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Inspire Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor assessed as inhibition of ADP-induced human platelet aggregation by washed platelet assay				J Med Chem 51: 1007-25 (2008) Article DOI: 10.1021/jm701348d BindingDB Entry DOI: 10.7270/Q2P55PB6
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50371573 (CHEMBL1162158) Show SMILES OP(=O)(OC[C@H]1O[C@H]([C@@H]2OC(O[C@H]12)\C=C\c1ccccc1)n1ccc(=O)[nH]c1=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@@H]1O[C@@H]([C@H]2OC(O[C@@H]12)\C=C\c1ccccc1)n1ccc(=O)[nH]c1=O |r| Show InChI InChI=1S/C36H38N4O23P4/c41-25-15-17-39(35(43)37-25)33-31-29(57-27(59-31)13-11-21-7-3-1-4-8-21)23(55-33)19-53-64(45,46)61-66(49,50)63-67(51,52)62-65(47,48)54-20-24-30-32(34(56-24)40-18-16-26(42)38-36(40)44)60-28(58-30)14-12-22-9-5-2-6-10-22/h1-18,23-24,27-34H,19-20H2,(H,45,46)(H,47,48)(H,49,50)(H,51,52)(H,37,41,43)(H,38,42,44)/b13-11+,14-12+/t23-,24+,27?,28?,29-,30+,31-,32+,33-,34+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Inspire Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor assessed as inhibition of ADP-induced human platelet aggregation by washed platelet assay				J Med Chem 51: 1007-25 (2008) Article DOI: 10.1021/jm701348d BindingDB Entry DOI: 10.7270/Q2P55PB6
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50374562 (CHEMBL402401) Show SMILES CCNC(=O)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CSCC(O)=O)[C@H]2O[C@@H](O[C@@H]12)\C=C\c1ccccc1 Show InChI InChI=1S/C24H26N6O6S/c1-2-25-24(33)29-21-18-22(27-12-26-21)30(13-28-18)23-20-19(15(34-23)10-37-11-16(31)32)35-17(36-20)9-8-14-6-4-3-5-7-14/h3-9,12-13,15,17,19-20,23H,2,10-11H2,1H3,(H,31,32)(H2,25,26,27,29,33)/b9-8+/t15-,17+,19-,20-,23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Inspire Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor assessed as platelet aggregation by washed platelet assay				Bioorg Med Chem Lett 18: 2167-71 (2008) Article DOI: 10.1016/j.bmcl.2008.01.038 BindingDB Entry DOI: 10.7270/Q2GM885R
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50374570 (CHEMBL402592) Show SMILES CCNC(=O)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CNCC2CC2C(=O)OCC)[C@H]2O[C@@H](O[C@@H]12)\C=C\c1ccccc1 |w:23.26,21.22| Show InChI InChI=1S/C29H35N7O6/c1-3-31-29(38)35-25-22-26(33-15-32-25)36(16-34-22)27-24-23(41-21(42-24)11-10-17-8-6-5-7-9-17)20(40-27)14-30-13-18-12-19(18)28(37)39-4-2/h5-11,15-16,18-21,23-24,27,30H,3-4,12-14H2,1-2H3,(H2,31,32,33,35,38)/b11-10+/t18?,19?,20-,21+,23-,24-,27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.33E+3	n/a	n/a	n/a	n/a	n/a	n/a
Inspire Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor assessed as platelet aggregation by washed platelet assay				Bioorg Med Chem Lett 18: 2167-71 (2008) Article DOI: 10.1016/j.bmcl.2008.01.038 BindingDB Entry DOI: 10.7270/Q2GM885R
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50371599 (CHEMBL1162169) Show SMILES OP(=O)(OC[C@H]1O[C@H]([C@@H]2OC(Cc3ccccc3)O[C@H]12)n1ccc(=O)[nH]c1=O)OP(O)(=O)OP(O)(=O)OC[C@@H]1O[C@@H]([C@H]2OC(Cc3ccccc3)O[C@@H]12)n1ccc(=O)[nH]c1=O |r| Show InChI InChI=1S/C34H37N4O20P3/c39-23-11-13-37(33(41)35-23)31-29-27(53-25(55-29)15-19-7-3-1-4-8-19)21(51-31)17-49-59(43,44)57-61(47,48)58-60(45,46)50-18-22-28-30(32(52-22)38-14-12-24(40)36-34(38)42)56-26(54-28)16-20-9-5-2-6-10-20/h1-14,21-22,25-32H,15-18H2,(H,43,44)(H,45,46)(H,47,48)(H,35,39,41)(H,36,40,42)/t21-,22+,25?,26?,27-,28+,29-,30+,31-,32+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.63E+3	n/a	n/a	n/a	n/a	n/a	n/a
Inspire Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor assessed as inhibition of ADP-induced human platelet aggregation by washed platelet assay				J Med Chem 51: 1007-25 (2008) Article DOI: 10.1021/jm701348d BindingDB Entry DOI: 10.7270/Q2P55PB6
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50374573 (CHEMBL260602) Show SMILES CCNC(=O)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CN)[C@H]2O[C@@H](O[C@@H]12)\C=C\c1ccccc1 Show InChI InChI=1S/C22H25N7O4/c1-2-24-22(30)28-19-16-20(26-11-25-19)29(12-27-16)21-18-17(14(10-23)31-21)32-15(33-18)9-8-13-6-4-3-5-7-13/h3-9,11-12,14-15,17-18,21H,2,10,23H2,1H3,(H2,24,25,26,28,30)/b9-8+/t14-,15+,17-,18-,21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.73E+3	n/a	n/a	n/a	n/a	n/a	n/a
Inspire Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor assessed as platelet aggregation by washed platelet assay				Bioorg Med Chem Lett 18: 2167-71 (2008) Article DOI: 10.1016/j.bmcl.2008.01.038 BindingDB Entry DOI: 10.7270/Q2GM885R
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50374576 (CHEMBL402800) Show SMILES CCNC(=O)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CNC(=O)c2ccco2)[C@H]2O[C@@H](O[C@@H]12)\C=C\c1ccccc1 Show InChI InChI=1S/C27H27N7O6/c1-2-28-27(36)33-23-20-24(31-14-30-23)34(15-32-20)26-22-21(18(38-26)13-29-25(35)17-9-6-12-37-17)39-19(40-22)11-10-16-7-4-3-5-8-16/h3-12,14-15,18-19,21-22,26H,2,13H2,1H3,(H,29,35)(H2,28,30,31,33,36)/b11-10+/t18-,19+,21-,22-,26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.86E+3	n/a	n/a	n/a	n/a	n/a	n/a
Inspire Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor assessed as platelet aggregation by washed platelet assay				Bioorg Med Chem Lett 18: 2167-71 (2008) Article DOI: 10.1016/j.bmcl.2008.01.038 BindingDB Entry DOI: 10.7270/Q2GM885R
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50371598 (CHEMBL1162170) Show SMILES Nc1ncnc2n(cnc12)[C@H]1O[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@@H]3OC(Cc4ccccc4)O[C@H]23)n2cnc3c(N)ncnc23)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C28H34N10O19P4/c29-23-17-25(33-9-31-23)37(11-35-17)27-20(40)19(39)14(51-27)7-49-58(41,42)55-60(45,46)57-61(47,48)56-59(43,44)50-8-15-21-22(54-16(53-21)6-13-4-2-1-3-5-13)28(52-15)38-12-36-18-24(30)32-10-34-26(18)38/h1-5,9-12,14-16,19-22,27-28,39-40H,6-8H2,(H,41,42)(H,43,44)(H,45,46)(H,47,48)(H2,29,31,33)(H2,30,32,34)/t14-,15+,16?,19-,20-,21+,22+,27-,28+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.54E+3	n/a	n/a	n/a	n/a	n/a	n/a
Inspire Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor assessed as inhibition of ADP-induced human platelet aggregation by washed platelet assay				J Med Chem 51: 1007-25 (2008) Article DOI: 10.1021/jm701348d BindingDB Entry DOI: 10.7270/Q2P55PB6
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50371571 (CHEMBL1162181) Show SMILES CNc1ccccc1C(=O)O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@@H]2O[C@@H]([C@@H](OC(=O)c3ccccc3NC)[C@H]2O)n2ccc(=O)[nH]c2=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O |r| Show InChI InChI=1S/C34H40N6O25P4/c1-35-19-9-5-3-7-17(19)31(45)61-27-22(60-29(26(27)44)39-13-11-23(41)37-33(39)47)16-58-67(51,52)64-69(55,56)65-68(53,54)63-66(49,50)57-15-21-25(43)28(30(59-21)40-14-12-24(42)38-34(40)48)62-32(46)18-8-4-6-10-20(18)36-2/h3-14,21-22,25-30,35-36,43-44H,15-16H2,1-2H3,(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,37,41,47)(H,38,42,48)/t21-,22+,25-,26+,27+,28-,29+,30-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.59E+3	n/a	n/a	n/a	n/a	n/a	n/a
Inspire Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor assessed as inhibition of ADP-induced human platelet aggregation by washed platelet assay				J Med Chem 51: 1007-25 (2008) Article DOI: 10.1021/jm701348d BindingDB Entry DOI: 10.7270/Q2P55PB6
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50371570 (CHEMBL1162162) Show SMILES OP(=O)(OC[C@H]1O[C@H]([C@@H]2OC(O[C@H]12)c1ccccc1)n1ccc(=O)[nH]c1=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@@H]1O[C@@H]([C@H]2OC(O[C@@H]12)c1ccccc1)n1ccc(=O)[nH]c1=O |r| Show InChI InChI=1S/C32H34N4O23P4/c37-21-11-13-35(31(39)33-21)27-25-23(53-29(55-25)17-7-3-1-4-8-17)19(51-27)15-49-60(41,42)57-62(45,46)59-63(47,48)58-61(43,44)50-16-20-24-26(56-30(54-24)18-9-5-2-6-10-18)28(52-20)36-14-12-22(38)34-32(36)40/h1-14,19-20,23-30H,15-16H2,(H,41,42)(H,43,44)(H,45,46)(H,47,48)(H,33,37,39)(H,34,38,40)/t19-,20+,23-,24+,25-,26+,27-,28+,29?,30?	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.29E+3	n/a	n/a	n/a	n/a	n/a	n/a
Inspire Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor assessed as inhibition of ADP-induced human platelet aggregation by washed platelet assay				J Med Chem 51: 1007-25 (2008) Article DOI: 10.1021/jm701348d BindingDB Entry DOI: 10.7270/Q2P55PB6
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50371574 (CHEMBL1162157) Show SMILES O[C@H]1[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@@H]3OC(O[C@H]23)\C=C\c2ccccc2)n2ccc(=O)[nH]c2=O)O[C@@H]([C@H]1O)n1ccc(=O)[nH]c1=O |r| Show InChI InChI=1S/C27H32N4O23P4/c32-17-8-10-30(26(36)28-17)24-21(35)20(34)15(48-24)12-46-55(38,39)52-57(42,43)54-58(44,45)53-56(40,41)47-13-16-22-23(25(49-16)31-11-9-18(33)29-27(31)37)51-19(50-22)7-6-14-4-2-1-3-5-14/h1-11,15-16,19-25,34-35H,12-13H2,(H,38,39)(H,40,41)(H,42,43)(H,44,45)(H,28,32,36)(H,29,33,37)/b7-6+/t15-,16+,19?,20-,21-,22+,23+,24-,25+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.68E+3	n/a	n/a	n/a	n/a	n/a	n/a
Inspire Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor assessed as inhibition of ADP-induced human platelet aggregation by washed platelet assay				J Med Chem 51: 1007-25 (2008) Article DOI: 10.1021/jm701348d BindingDB Entry DOI: 10.7270/Q2P55PB6
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50371574 (CHEMBL1162157) Show SMILES O[C@H]1[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@@H]3OC(O[C@H]23)\C=C\c2ccccc2)n2ccc(=O)[nH]c2=O)O[C@@H]([C@H]1O)n1ccc(=O)[nH]c1=O |r| Show InChI InChI=1S/C27H32N4O23P4/c32-17-8-10-30(26(36)28-17)24-21(35)20(34)15(48-24)12-46-55(38,39)52-57(42,43)54-58(44,45)53-56(40,41)47-13-16-22-23(25(49-16)31-11-9-18(33)29-27(31)37)51-19(50-22)7-6-14-4-2-1-3-5-14/h1-11,15-16,19-25,34-35H,12-13H2,(H,38,39)(H,40,41)(H,42,43)(H,44,45)(H,28,32,36)(H,29,33,37)/b7-6+/t15-,16+,19?,20-,21-,22+,23+,24-,25+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Inspire Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor assessed as inhibition of ADP-induced human platelet aggregation by washed platelet assay				J Med Chem 51: 1007-25 (2008) Article DOI: 10.1021/jm701348d BindingDB Entry DOI: 10.7270/Q2P55PB6
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50374563 (CHEMBL257651) Show SMILES CCNC(=O)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CSCC(O)CO)[C@H]2O[C@@H](O[C@@H]12)\C=C\c1ccccc1 |w:21.23| Show InChI InChI=1S/C25H30N6O6S/c1-2-26-25(34)30-22-19-23(28-13-27-22)31(14-29-19)24-21-20(17(35-24)12-38-11-16(33)10-32)36-18(37-21)9-8-15-6-4-3-5-7-15/h3-9,13-14,16-18,20-21,24,32-33H,2,10-12H2,1H3,(H2,26,27,28,30,34)/b9-8+/t16?,17-,18+,20-,21-,24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Inspire Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor assessed as platelet aggregation by washed platelet assay				Bioorg Med Chem Lett 18: 2167-71 (2008) Article DOI: 10.1016/j.bmcl.2008.01.038 BindingDB Entry DOI: 10.7270/Q2GM885R
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50371601 (CHEMBL1162189) Show SMILES CCCCCCCC1O[C@H]2[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]3O[C@H]([C@@H]4OC(CCCCCCC)O[C@H]34)n3ccc(=O)[nH]c3=O)O[C@@H]([C@H]2O1)n1ccc(=O)[nH]c1=O |r| Show InChI InChI=1S/C34H54N4O23P4/c1-3-5-7-9-11-13-25-55-27-21(53-31(29(27)57-25)37-17-15-23(39)35-33(37)41)19-51-62(43,44)59-64(47,48)61-65(49,50)60-63(45,46)52-20-22-28-30(58-26(56-28)14-12-10-8-6-4-2)32(54-22)38-18-16-24(40)36-34(38)42/h15-18,21-22,25-32H,3-14,19-20H2,1-2H3,(H,43,44)(H,45,46)(H,47,48)(H,49,50)(H,35,39,41)(H,36,40,42)/t21-,22+,25?,26?,27-,28+,29-,30+,31-,32+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.07E+4	n/a	n/a	n/a	n/a	n/a	n/a
Inspire Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor assessed as inhibition of ADP-induced human platelet aggregation by washed platelet assay				J Med Chem 51: 1007-25 (2008) Article DOI: 10.1021/jm701348d BindingDB Entry DOI: 10.7270/Q2P55PB6
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50371596 (CHEMBL1162163) Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(NC(=O)Nc3ccccc3)ncnc12 |r| Show InChI InChI=1S/C17H20N6O11P2/c24-12-10(6-32-36(30,31)34-35(27,28)29)33-16(13(12)25)23-8-20-11-14(18-7-19-15(11)23)22-17(26)21-9-4-2-1-3-5-9/h1-5,7-8,10,12-13,16,24-25H,6H2,(H,30,31)(H2,27,28,29)(H2,18,19,21,22,26)/t10-,12-,13-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.08E+4	n/a	n/a	n/a	n/a	n/a	n/a
Inspire Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor assessed as inhibition of ADP-induced human platelet aggregation by washed platelet assay				J Med Chem 51: 1007-25 (2008) Article DOI: 10.1021/jm701348d BindingDB Entry DOI: 10.7270/Q2P55PB6
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50371592 (CHEMBL1162205) Show SMILES OP(O)(=O)OC[C@H]1O[C@H]([C@@H]2O[C@H](Cc3ccccc3)O[C@H]12)n1ccc(NC(=O)Nc2ccc(F)cc2)nc1=O |r| Show InChI InChI=1S/C24H24FN4O9P/c25-15-6-8-16(9-7-15)26-23(30)27-18-10-11-29(24(31)28-18)22-21-20(17(36-22)13-35-39(32,33)34)37-19(38-21)12-14-4-2-1-3-5-14/h1-11,17,19-22H,12-13H2,(H2,32,33,34)(H2,26,27,28,30,31)/t17-,19-,20-,21-,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.12E+4	n/a	n/a	n/a	n/a	n/a	n/a
Inspire Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor assessed as inhibition of ADP-induced human platelet aggregation by washed platelet assay				J Med Chem 51: 1007-25 (2008) Article DOI: 10.1021/jm701348d BindingDB Entry DOI: 10.7270/Q2P55PB6
					More data for this Ligand-Target Pair

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