Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Apolipoprotein B-100' and Ligand = 'BDBM50107771'   

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
Apolipoprotein B-100 (Homo sapiens (Human))	BDBM50107771 (4'-Cyano-6-methyl-biphenyl-2-carboxylic acid (2-be...) Show SMILES Cc1cccc(C(=O)Nc2ccc3CC(Cc3c2)NS(=O)(=O)c2ccccc2)c1-c1ccc(cc1)C#N Show InChI InChI=1S/C30H25N3O3S/c1-20-6-5-9-28(29(20)22-12-10-21(19-31)11-13-22)30(34)32-25-15-14-23-16-26(18-24(23)17-25)33-37(35,36)27-7-3-2-4-8-27/h2-15,17,26,33H,16,18H2,1H3,(H,32,34)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Reasearch Curated by ChEMBL					Assay Description Inhibition of apolipoprotein B (apoB) secreted by human hepatoma cells (Hep G2) at 100 nM				J Med Chem 44: 4677-87 (2001) BindingDB Entry DOI: 10.7270/Q23F4NXH
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