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 = 'BDBM185630'   

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))	BDBM185630 (US9156856, 43 | US9493431, 43) Show SMILES Cc1nc(OC[C@@H]2CN(CCO2)C(=O)OC(C)(C)C)sc1S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |t:53| Show InChI InChI=1S/C47H56ClN7O8S2/c1-30-43(64-44(51-30)61-29-37-28-55(21-22-60-37)45(57)63-46(2,3)4)65(58,59)52-42(56)38-12-11-35(24-40(38)62-36-23-32-14-16-49-41(32)50-26-36)54-19-17-53(18-20-54)27-33-13-15-47(5,6)25-39(33)31-7-9-34(48)10-8-31/h7-12,14,16,23-24,26,37H,13,15,17-22,25,27-29H2,1-6H3,(H,49,50)(H,52,56)/t37-/m0/s1	PDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	46.5	-41.9	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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