Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Apoptosis regulator Bcl-2' and Ligand = 'BDBM50427823'   

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))	BDBM50427823 (CHEMBL2325773) Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1ccnn1-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C43H45ClN8O4S2/c1-48(2)24-22-35(31-57-39-9-4-3-5-10-39)46-41-20-19-40(30-43(41)52(53)54)58(55,56)47-34-13-17-36(18-14-34)49-25-27-50(28-26-49)38-8-6-7-32(29-38)42-21-23-45-51(42)37-15-11-33(44)12-16-37/h3-21,23,29-30,35,46-47H,22,24-28,31H2,1-2H3/t35-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	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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