Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'P2Y purinoceptor 1' and Ligand = 'BDBM177992'   

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))	BDBM177992 (US9120798, 39) Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(Cl)ccc3O)c2ccccc2Nc2nc(c(s2)C#N)C(C)(C)C)CC1 Show InChI InChI=1S/C31H38ClN5OS/c1-29(2,3)18-36-15-13-31(14-16-36)19-37(26-23(38)12-11-20(32)25(26)31)22-10-8-7-9-21(22)34-28-35-27(30(4,5)6)24(17-33)39-28/h7-12,38H,13-16,18-19H2,1-6H3,(H,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Yi receptors (The P2Yi receptor membranes were...				US Patent US9120798 (2015) BindingDB Entry DOI: 10.7270/Q2S75F47
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