Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Apoptosis regulator Bcl-2' and Ligand = 'BDBM50427833'   

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))	BDBM50427833 (CHEMBL2326040) Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(C(N)=O)c(C)n(C)c1-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C47H51ClN8O5S2/c1-32-44(47(49)57)45(46(53(32)4)33-13-15-35(48)16-14-33)34-9-8-10-39(29-34)55-27-25-54(26-28-55)38-19-17-36(18-20-38)51-63(60,61)41-21-22-42(43(30-41)56(58)59)50-37(23-24-52(2)3)31-62-40-11-6-5-7-12-40/h5-22,29-30,37,50-51H,23-28,31H2,1-4H3,(H2,49,57)/t37-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	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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