Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'P2Y purinoceptor 12' and Ligand = 'BDBM50302723'   

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))	BDBM50302723 ((4S)-4-[(6-{4-[(diethylamino)methyl]piperidin-1-yl...) Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCC(CN(CC)CC)CC1 |r| Show InChI InChI=1S/C36H53N7O6/c1-4-7-11-24-49-36(48)43-22-20-42(21-23-43)35(47)29(14-15-32(44)45)38-34(46)30-25-31(39-33(37-30)28-12-9-8-10-13-28)41-18-16-27(17-19-41)26-40(5-2)6-3/h8-10,12-13,25,27,29H,4-7,11,14-24,26H2,1-3H3,(H,38,46)(H,44,45)/t29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.610	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))	BDBM50302723 ((4S)-4-[(6-{4-[(diethylamino)methyl]piperidin-1-yl...) Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCC(CN(CC)CC)CC1 |r| Show InChI InChI=1S/C36H53N7O6/c1-4-7-11-24-49-36(48)43-22-20-42(21-23-43)35(47)29(14-15-32(44)45)38-34(46)30-25-31(39-33(37-30)28-12-9-8-10-13-28)41-18-16-27(17-19-41)26-40(5-2)6-3/h8-10,12-13,25,27,29H,4-7,11,14-24,26H2,1-3H3,(H,38,46)(H,44,45)/t29-/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	860	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