Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'P2Y purinoceptor 1' and Ligand = 'BDBM177973'   

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))	BDBM177973 (US9120798, 10) Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(Cl)ccc3O)c2ccccc2Nc2nnc(s2)-c2ccncc2)CC1 Show InChI InChI=1S/C30H33ClN6OS/c1-29(2,3)18-36-16-12-30(13-17-36)19-37(26-24(38)9-8-21(31)25(26)30)23-7-5-4-6-22(23)33-28-35-34-27(39-28)20-10-14-32-15-11-20/h4-11,14-15,38H,12-13,16-19H2,1-3H3,(H,33,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	40.2	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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