Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'P2Y purinoceptor 1' and Ligand = 'BDBM260839'   

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))	BDBM260839 (US9540323, 25 | US9540323, example 25) Show SMILES CCC1(CC)CN(c2c1c(ccc2O)C(F)(F)F)c1ccccc1NC(=O)Nc1ccc(cc1)C1CCN(CC(C)(C)C)CC1 Show InChI InChI=1S/C36H45F3N4O2/c1-6-35(7-2)23-43(32-30(44)17-16-27(31(32)35)36(37,38)39)29-11-9-8-10-28(29)41-33(45)40-26-14-12-24(13-15-26)25-18-20-42(21-19-25)22-34(3,4)5/h8-17,25,44H,6-7,18-23H2,1-5H3,(H2,40,41,45)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6.30	-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 US9540323 (2017) BindingDB Entry DOI: 10.7270/Q289141P
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