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 = 'BDBM185612'   

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))	BDBM185612 (US9156856, 23 | US9493431, 23) Show SMILES Cc1cc(-c2oncc2S(=O)(=O)NC(=O)c2ccc(cc2)N2CCN(Cc3ccccc3-c3ccc(Cl)cc3)CC2)n(C)n1 Show InChI InChI=1S/C32H31ClN6O4S/c1-22-19-29(37(2)35-22)31-30(20-34-43-31)44(41,42)36-32(40)24-9-13-27(14-10-24)39-17-15-38(16-18-39)21-25-5-3-4-6-28(25)23-7-11-26(33)12-8-23/h3-14,19-20H,15-18,21H2,1-2H3,(H,36,40)	PDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	447	-36.2	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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