Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'P2Y purinoceptor 1' and Ligand = 'BDBM260922'   

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))	BDBM260922 (US9540323, 113 | US9540323, example 113) Show SMILES CC1(C)CN(c2c1c(ccc2O)-c1ccncc1)c1ccccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C29H25F3N4O3/c1-28(2)17-36(26-24(37)12-11-21(25(26)28)18-13-15-33-16-14-18)23-6-4-3-5-22(23)35-27(38)34-19-7-9-20(10-8-19)39-29(30,31)32/h3-16,37H,17H2,1-2H3,(H2,34,35,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5.90	-47.0	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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