Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'P2Y purinoceptor 1' and Ligand = 'BDBM260858'   

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))	BDBM260858 (US9540323, 45 | US9540323, example 45) Show SMILES CCC1(CC)CN(c2c1c(ccc2O)C#N)c1ccccc1NC(=O)Nc1ccc(cc1)C1CCN(CC(C)(C)C)CC1 Show InChI InChI=1S/C36H45N5O2/c1-6-36(7-2)24-41(33-31(42)17-14-27(22-37)32(33)36)30-11-9-8-10-29(30)39-34(43)38-28-15-12-25(13-16-28)26-18-20-40(21-19-26)23-35(3,4)5/h8-17,26,42H,6-7,18-21,23-24H2,1-5H3,(H2,38,39,43)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6.70	-46.7	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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