Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'P2Y purinoceptor 1' and Ligand = 'BDBM245291'   

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))	BDBM245291 (US9428504, 29) Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(ccc3O)C(F)(F)F)c2ccccc2NC(=O)Nc2nccs2)CC1 Show InChI InChI=1S/C28H32F3N5O2S/c1-26(2,3)16-35-13-10-27(11-14-35)17-36(23-21(37)9-8-18(22(23)27)28(29,30)31)20-7-5-4-6-19(20)33-24(38)34-25-32-12-15-39-25/h4-9,12,15,37H,10-11,13-14,16-17H2,1-3H3,(H2,32,33,34,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6.40	-46.8	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 US9428504 (2016) BindingDB Entry DOI: 10.7270/Q24748SD
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