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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetolactate synthase catalytic subunit, mitochondrial' and Ligand = 'BDBM50424591'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Acetolactate synthase catalytic subunit, mitochondrial


(Saccharomyces cerevisiae)
BDBM50424591
PNG
(Bensulfuron Methyl | CHEMBL2313154)
Show SMILES COC(=O)c1ccccc1CS(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1
Show InChI InChI=1S/C16H18N4O7S/c1-25-12-8-13(26-2)18-15(17-12)19-16(22)20-28(23,24)9-10-6-4-5-7-11(10)14(21)27-3/h4-8H,9H2,1-3H3,(H2,17,18,19,20,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

CHEMBL
KEGG
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
4.40n/an/an/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of Saccharomyces cerevisiae acetohydroxyacid synthase by colorimetric assay


J Med Chem 56: 210-9 (2013)


Article DOI: 10.1021/jm301501k
BindingDB Entry DOI: 10.7270/Q22Z16TH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)