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 = 'BDBM185619'   

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))	BDBM185619 (US9156856, 30 | US9493431, 30) Show SMILES [O-][N+](=O)c1cc(sc1N1CCCCC1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 Show InChI InChI=1S/C33H34ClN5O5S2/c34-27-12-8-24(9-13-27)29-7-3-2-6-26(29)23-36-18-20-37(21-19-36)28-14-10-25(11-15-28)32(40)35-46(43,44)31-22-30(39(41)42)33(45-31)38-16-4-1-5-17-38/h2-3,6-15,22H,1,4-5,16-21,23H2,(H,35,40)	PDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	269	-37.5	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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