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 = 'BDBM185627'   

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))	BDBM185627 (US9156856, 40 | US9493431, 40) Show SMILES Cc1cc(C)n2nc(nc2n1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc(Cl)c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |t:40| Show InChI InChI=1S/C39H41Cl2N7O4S/c1-25-20-26(2)48-37(42-25)43-38(44-48)53(50,51)45-36(49)33-13-12-31(22-35(33)52-32-7-5-6-30(41)21-32)47-18-16-46(17-19-47)24-28-14-15-39(3,4)23-34(28)27-8-10-29(40)11-9-27/h5-13,20-22H,14-19,23-24H2,1-4H3,(H,45,49)	PDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.407	-53.6	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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