Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'P2Y purinoceptor 1' and Ligand = 'BDBM260849'   

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))	BDBM260849 (US9540323, 36 | US9540323, example 36) Show SMILES CCC1(CC)CN(c2c1ccc(F)c2O)c1ccccc1NC(=O)Nc1ccc(cc1)C1CCCN1CC(C)C Show InChI InChI=1S/C33H41FN4O2/c1-5-33(6-2)21-38(30-25(33)17-18-26(34)31(30)39)29-11-8-7-10-27(29)36-32(40)35-24-15-13-23(14-16-24)28-12-9-19-37(28)20-22(3)4/h7-8,10-11,13-18,22,28,39H,5-6,9,12,19-21H2,1-4H3,(H2,35,36,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5.70	-47.1	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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