Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'P2Y purinoceptor 12' and Ligand = 'BDBM50345280'   

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))	BDBM50345280 (CHEMBL1784234 | Ethyl 5-chloro-6-[4-({[1-(3-isopro...) Show SMILES CCOC(=O)c1cnc(N2CCN(CC2)C(=O)NC(C)(C)c2cccc(c2)C(C)=C)c(Cl)c1 Show InChI InChI=1S/C25H31ClN4O3/c1-6-33-23(31)19-15-21(26)22(27-16-19)29-10-12-30(13-11-29)24(32)28-25(4,5)20-9-7-8-18(14-20)17(2)3/h7-9,14-16H,2,6,10-13H2,1,3-5H3,(H,28,32)	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
AstraZeneca R&D Curated by ChEMBL					Assay Description Antagonist activity at human recombinant P2Y12 receptor expressed in platelet cell membrane by [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 21: 2877-81 (2011) Article DOI: 10.1016/j.bmcl.2011.03.088 BindingDB Entry DOI: 10.7270/Q2TX3FQ9
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50345280 (CHEMBL1784234 | Ethyl 5-chloro-6-[4-({[1-(3-isopro...) Show SMILES CCOC(=O)c1cnc(N2CCN(CC2)C(=O)NC(C)(C)c2cccc(c2)C(C)=C)c(Cl)c1 Show InChI InChI=1S/C25H31ClN4O3/c1-6-33-23(31)19-15-21(26)22(27-16-19)29-10-12-30(13-11-29)24(32)28-25(4,5)20-9-7-8-18(14-20)17(2)3/h7-9,14-16H,2,6,10-13H2,1,3-5H3,(H,28,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	610	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Curated by ChEMBL					Assay Description Displacement of [125I]-AZ11931285 from human recombinant P2Y12 receptor expressed in platelet cell membrane after 1 hr by scintillation counting				Bioorg Med Chem Lett 21: 2877-81 (2011) Article DOI: 10.1016/j.bmcl.2011.03.088 BindingDB Entry DOI: 10.7270/Q2TX3FQ9
					More data for this Ligand-Target Pair