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 = 'BDBM185633'   

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))	BDBM185633 (US9156856, 46 | US9493431, 46) Show SMILES Cc1nc(OCC2(F)CCOCC2)sc1S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc2[nH]cnc12)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |t:47| Show InChI InChI=1S/C43H48ClFN6O6S2/c1-28-40(58-41(48-28)56-26-43(45)15-21-55-22-16-43)59(53,54)49-39(52)33-12-11-32(23-37(33)57-36-6-4-5-35-38(36)47-27-46-35)51-19-17-50(18-20-51)25-30-13-14-42(2,3)24-34(30)29-7-9-31(44)10-8-29/h4-12,23,27H,13-22,24-26H2,1-3H3,(H,46,47)(H,49,52)	PDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.75	-50.0	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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