Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Apoptosis regulator Bcl-2' and Ligand = 'BDBM50427816'   

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))	BDBM50427816 (CHEMBL2325759) Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(nn(C)c1C(O)=O)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C45H47ClN8O6S2/c1-50(2)23-22-35(30-61-38-10-5-4-6-11-38)47-40-21-20-39(29-41(40)54(57)58)62(59,60)49-34-16-18-36(19-17-34)52-24-26-53(27-25-52)37-9-7-8-32(28-37)42-43(31-12-14-33(46)15-13-31)48-51(3)44(42)45(55)56/h4-21,28-29,35,47,49H,22-27,30H2,1-3H3,(H,55,56)/t35-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Binding affinity to BCL2 (unknown origin) after 2 hrs by fluorescence polarization assay				J Med Chem 56: 3048-67 (2013) Article DOI: 10.1021/jm4001105 BindingDB Entry DOI: 10.7270/Q2H41SSV
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