Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Apoptosis regulator Bcl-2/Glutathione S-transferase P' and Ligand = 'BDBM185626'   

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
Apoptosis regulator Bcl-2/Glutathione S-transferase P (Homo sapiens (Human))	BDBM185626 (US9156856, 39 | US9493431, 39) Show SMILES Cc1c(sc2ccc(Cl)cc12)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccccc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 Show InChI InChI=1S/C39H33Cl2N3O4S2/c1-26-35-23-30(41)15-18-37(35)49-39(26)50(46,47)42-38(45)34-17-16-31(24-36(34)48-32-8-3-2-4-9-32)44-21-19-43(20-22-44)25-28-7-5-6-10-33(28)27-11-13-29(40)14-12-27/h2-18,23-24H,19-22,25H2,1H3,(H,42,45)	PDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	20.2	-43.9	n/a	n/a	n/a	n/a	n/a	n/a	25
ABBVIE INC. US Patent					Assay Description Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 uM (2x starting concentration; 10% DMSO) and 10 uL were tr...				US Patent US9493431 (2016) BindingDB Entry DOI: 10.7270/Q2RB73HH
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