Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Apolipoprotein B-100' and Ligand = 'BDBM50107804'   

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))	BDBM50107804 (CHEMBL142975 | {2-[(6-Methyl-4'-trifluoromethyl-bi...) Show SMILES COC(=O)NC1CCc2ccc(NC(=O)c3cccc(C)c3-c3ccc(cc3)C(F)(F)F)cc2CC1 Show InChI InChI=1S/C28H27F3N2O3/c1-17-4-3-5-24(25(17)19-6-11-21(12-7-19)28(29,30)31)26(34)32-23-15-9-18-8-13-22(33-27(35)36-2)14-10-20(18)16-23/h3-7,9,11-12,15-16,22H,8,10,13-14H2,1-2H3,(H,32,34)(H,33,35)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.60	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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