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BDBM50424589 CHEMBL1229721::DNDI1246776

SMILES: COc1nc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)n1

InChI Key: InChIKey=VJYIFXVZLXQVHO-UHFFFAOYSA-N

Data: 1 KI

PDB links: 2 PDB IDs match this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50424589   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Acetolactate synthase catalytic subunit, mitochondrial


(Saccharomyces cerevisiae)
BDBM50424589
PNG
(CHEMBL1229721 | DNDI1246776)
Show SMILES COc1nc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)n1
Show InChI InChI=1S/C12H12ClN5O4S/c1-7-14-10(17-12(15-7)22-2)16-11(19)18-23(20,21)9-6-4-3-5-8(9)13/h3-6H,1-2H3,(H2,14,15,16,17,18,19)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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DrugBank
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CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
127n/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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)