Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bcl2-associated agonist of cell death' and Ligand = 'BDBM50270876'   

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
Bcl2-associated agonist of cell death (Homo sapiens (Human))	BDBM50270876 (3-((E)-2-Biphenyl-3-yl-vinyl)-4'-fluoro-biphenyl-4...) Show SMILES OC(=O)c1ccc(cc1\C=C\c1cccc(c1)-c1ccccc1)-c1ccc(F)cc1 Show InChI InChI=1S/C27H19FO2/c28-25-14-11-21(12-15-25)23-13-16-26(27(29)30)24(18-23)10-9-19-5-4-8-22(17-19)20-6-2-1-3-7-20/h1-18H,(H,29,30)/b10-9+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Astex Therapeutics Ltd. Curated by ChEMBL					Assay Description Binding affinity to BH3 binding groove of BclXL				J Med Chem 51: 3661-80 (2008) Article DOI: 10.1021/jm8000373 BindingDB Entry DOI: 10.7270/Q2N58M4H
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