Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Apolipoprotein B-100' and Ligand = 'BDBM50107785'   

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))	BDBM50107785 (CHEMBL341974 | {2-[(4,6-Dimethyl-4'-trifluoromethy...) Show SMILES COC(=O)NC1CCc2ccc(NC(=O)c3cc(C)cc(C)c3-c3ccc(cc3)C(F)(F)F)cc2CC1 Show InChI InChI=1S/C29H29F3N2O3/c1-17-14-18(2)26(20-4-9-22(10-5-20)29(30,31)32)25(15-17)27(35)33-24-13-7-19-6-11-23(34-28(36)37-3)12-8-21(19)16-24/h4-5,7,9-10,13-16,23H,6,8,11-12H2,1-3H3,(H,33,35)(H,34,36)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.40	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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