Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'P2Y purinoceptor 1' and Ligand = 'BDBM245288'   

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))	BDBM245288 (US9428504, 26) Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(ccc3O)C(F)(F)F)c2ccccc2NC(=O)Nc2csc(Cl)c2)CC1 Show InChI InChI=1S/C29H32ClF3N4O2S/c1-27(2,3)16-36-12-10-28(11-13-36)17-37(25-22(38)9-8-19(24(25)28)29(31,32)33)21-7-5-4-6-20(21)35-26(39)34-18-14-23(30)40-15-18/h4-9,14-15,38H,10-13,16-17H2,1-3H3,(H2,34,35,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7.30	-46.4	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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