Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Apoptosis regulator Bcl-2' and Ligand = 'BDBM50388993'   

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 (Homo sapiens (Human))	BDBM50388993 (CHEMBL2063896) Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(cn(C)c1C(O)=O)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C46H48ClN7O6S2/c1-50(2)23-22-36(31-61-39-10-5-4-6-11-39)48-42-21-20-40(29-43(42)54(57)58)62(59,60)49-35-16-18-37(19-17-35)52-24-26-53(27-25-52)38-9-7-8-33(28-38)44-41(30-51(3)45(44)46(55)56)32-12-14-34(47)15-13-32/h4-21,28-30,36,48-49H,22-27,31H2,1-3H3,(H,55,56)/t36-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Binding affinity to N-terminus 6X His-tagged human Bcl2 expressed in Escherichia coli BL21 (DE3) cells after 2 hrs by fluorescence polarization assay				J Med Chem 55: 4664-82 (2012) Article DOI: 10.1021/jm300178u BindingDB Entry DOI: 10.7270/Q2862HHV
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