Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bcl-2-like protein 1' and Ligand = 'BDBM50427826'   

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
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50427826 (CHEMBL2325770) Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(C(O)=O)c(n(C)c1-c1ccc(Cl)cc1)C(F)(F)F |r| Show InChI InChI=1S/C47H47ClF3N7O6S2/c1-54(2)23-22-35(30-65-38-10-5-4-6-11-38)52-40-21-20-39(29-41(40)58(61)62)66(63,64)53-34-16-18-36(19-17-34)56-24-26-57(27-25-56)37-9-7-8-32(28-37)42-43(46(59)60)45(47(49,50)51)55(3)44(42)31-12-14-33(48)15-13-31/h4-21,28-29,35,52-53H,22-27,30H2,1-3H3,(H,59,60)/t35-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Binding affinity to BCL-XL (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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