Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'P2Y purinoceptor 12' and Ligand = 'BDBM50302626'   

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))	BDBM50302626 ((S)-4-(6-(4-morpholinopiperidin-1-yl)-2-phenylpyri...) Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCC(CC1)N1CCOCC1 |r| Show InChI InChI=1S/C35H49N7O7/c1-2-3-7-22-49-35(47)42-18-16-41(17-19-42)34(46)28(10-11-31(43)44)37-33(45)29-25-30(38-32(36-29)26-8-5-4-6-9-26)40-14-12-27(13-15-40)39-20-23-48-24-21-39/h4-6,8-9,25,27-28H,2-3,7,10-24H2,1H3,(H,37,45)(H,43,44)/t28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay				Bioorg Med Chem Lett 19: 6148-56 (2009) Article DOI: 10.1016/j.bmcl.2009.09.017 BindingDB Entry DOI: 10.7270/Q2B27VCB
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50302626 ((S)-4-(6-(4-morpholinopiperidin-1-yl)-2-phenylpyri...) Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCC(CC1)N1CCOCC1 |r| Show InChI InChI=1S/C35H49N7O7/c1-2-3-7-22-49-35(47)42-18-16-41(17-19-42)34(46)28(10-11-31(43)44)37-33(45)29-25-30(38-32(36-29)26-8-5-4-6-9-26)40-14-12-27(13-15-40)39-20-23-48-24-21-39/h4-6,8-9,25,27-28H,2-3,7,10-24H2,1H3,(H,37,45)(H,43,44)/t28-/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	780	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor in human platelet rich plasma assessed as inhibition of ADP-induced platelet aggregation by light transmission ...				Bioorg Med Chem Lett 19: 6148-56 (2009) Article DOI: 10.1016/j.bmcl.2009.09.017 BindingDB Entry DOI: 10.7270/Q2B27VCB
					More data for this Ligand-Target Pair