Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'P2Y purinoceptor 1' and Ligand = 'BDBM50321595'   

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 1 (Homo sapiens (Human))	BDBM50321595 (1-(2-(2-isopropylphenyl)benzofuran-7-yl)-3-(3-(tri...) Show SMILES CC(C)c1ccccc1-c1cc2cccc(NC(=O)Nc3cccc(c3)C(F)(F)F)c2o1 Show InChI InChI=1S/C25H21F3N2O2/c1-15(2)19-10-3-4-11-20(19)22-13-16-7-5-12-21(23(16)32-22)30-24(31)29-18-9-6-8-17(14-18)25(26,27)28/h3-15H,1-2H3,(H2,29,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at P2Y1 expressed in HEK293 cells by FLIPR assay				Bioorg Med Chem Lett 20: 4104-7 (2010) Article DOI: 10.1016/j.bmcl.2010.05.072 BindingDB Entry DOI: 10.7270/Q2HX1DNF
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