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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Apolipoprotein B-100' and Ligand = 'BDBM50107781'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Apolipoprotein B-100


(Homo sapiens (Human))
BDBM50107781
PNG
(6,4'-Dimethyl-biphenyl-2-carboxylic acid (2-benzen...)
Show SMILES Cc1ccc(cc1)-c1c(C)cccc1C(=O)Nc1ccc2CC(Cc2c1)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C30H28N2O3S/c1-20-11-13-22(14-12-20)29-21(2)7-6-10-28(29)30(33)31-25-16-15-23-17-26(19-24(23)18-25)32-36(34,35)27-8-4-3-5-9-27/h3-16,18,26,32H,17,19H2,1-2H3,(H,31,33)
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PubMed
n/an/a 2.5n/an/an/an/an/an/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
More data for this
Ligand-Target Pair