Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'P2Y purinoceptor 1' and Ligand = 'BDBM260843'   

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))	BDBM260843 (US9540323, 29 | US9540323, example 29) Show SMILES CCC1(CC)CN(c2c1c(F)ccc2O)c1ccccc1NC(=O)Nc1ccc(cc1)C1CCCN1CC(C)(C)C Show InChI InChI=1S/C34H43FN4O2/c1-6-34(7-2)22-39(31-29(40)19-18-25(35)30(31)34)28-12-9-8-11-26(28)37-32(41)36-24-16-14-23(15-17-24)27-13-10-20-38(27)21-33(3,4)5/h8-9,11-12,14-19,27,40H,6-7,10,13,20-22H2,1-5H3,(H2,36,37,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.60	-48.2	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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