Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'P2Y purinoceptor 1' and Ligand = 'BDBM177975'   

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))	BDBM177975 (US9120798, 15) Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(Cl)ccc3O)c2ccccc2Nc2nnc(s2)-c2ccc(nc2)C(F)(F)F)CC1 Show InChI InChI=1S/C31H32ClF3N6OS/c1-29(2,3)17-40-14-12-30(13-15-40)18-41(26-23(42)10-9-20(32)25(26)30)22-7-5-4-6-21(22)37-28-39-38-27(43-28)19-8-11-24(36-16-19)31(33,34)35/h4-11,16,42H,12-15,17-18H2,1-3H3,(H,37,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5.70	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description A membrane binding assay was used to identify inhibitors of [33P] 2MeS- ADP binding to cloned human P2Y1 receptors. The cDNA clone for human P2Yi was...				US Patent US9120798 (2015) BindingDB Entry DOI: 10.7270/Q2S75F47
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