Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'P2Y purinoceptor 1' and Ligand = 'BDBM260988'   

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))	BDBM260988 (US9540323, 189 | US9540323, example 189) Show SMILES CSc1ncc(cn1)-c1c2c(N(CC2(C)C)c2ccccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)c(O)cc1F Show InChI InChI=1S/C29H25F4N5O3S/c1-28(2)15-38(25-22(39)12-19(30)23(24(25)28)16-13-34-27(42-3)35-14-16)21-7-5-4-6-20(21)37-26(40)36-17-8-10-18(11-9-17)41-29(31,32)33/h4-14,39H,15H2,1-3H3,(H2,36,37,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7.20	-46.5	n/a	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description A SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Y1 receptors (The P2Y1 receptor membranes we...				US Patent US9540323 (2017) BindingDB Entry DOI: 10.7270/Q289141P
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