Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Apolipoprotein B-100' and Ligand = 'BDBM50107774'   

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))	BDBM50107774 (4,6-Dimethyl-4'-trifluoromethyl-biphenyl-2-carboxy...) Show SMILES Cc1cc(C)c(-c2ccc(cc2)C(F)(F)F)c(c1)C(=O)Nc1ccc2C[C@H](Cc2c1)NS(=O)(=O)c1cccs1 Show InChI InChI=1S/C29H25F3N2O3S2/c1-17-12-18(2)27(19-5-8-22(9-6-19)29(30,31)32)25(13-17)28(35)33-23-10-7-20-14-24(16-21(20)15-23)34-39(36,37)26-4-3-11-38-26/h3-13,15,24,34H,14,16H2,1-2H3,(H,33,35)/t24-/m1/s1	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	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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