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 = 'BDBM185631'   

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))	BDBM185631 (US9156856, 44 | US9493431, 44) Show SMILES Cc1nc(OC[C@@H]2CN(CCO2)C(=O)OC(C)(C)C)sc1S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc2[nH]cnc12)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)61-28-35-27-55(22-23-60-35)45(57)63-46(2,3)4)65(58,59)52-42(56)36-15-14-34(24-40(36)62-39-9-7-8-38-41(39)50-29-49-38)54-20-18-53(19-21-54)26-32-16-17-47(5,6)25-37(32)31-10-12-33(48)13-11-31/h7-15,24,29,35H,16-23,25-28H2,1-6H3,(H,49,50)(H,52,56)/t35-/m0/s1	PDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	24.8	-43.4	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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