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 = 'BDBM185621'   

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))	BDBM185621 (US9156856, 32 | US9493431, 32) Show SMILES Cc1noc(C)c1S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 Show InChI InChI=1S/C29H29ClN4O4S/c1-20-28(21(2)38-31-20)39(36,37)32-29(35)23-9-13-26(14-10-23)34-17-15-33(16-18-34)19-24-5-3-4-6-27(24)22-7-11-25(30)12-8-22/h3-14H,15-19H2,1-2H3,(H,32,35)	PDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	438	-36.3	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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