Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'P2Y purinoceptor 12' and Ligand = 'BDBM50371589'   

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))	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))	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