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Found 1 hit Enz. Inhib. hit(s) with Target = '3-dehydroquinate dehydratase' and Ligand = 'BDBM50352028'   
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
3-dehydroquinate dehydratase


(Mycobacterium tuberculosis)
BDBM50352028
PNG
(CHEMBL1823557)
Show SMILES O[C@@H]1C[C@@](O)(C=C([C@H]1O)c1cccs1)C(O)=O |r,c:5|
Show InChI InChI=1S/C11H12O5S/c12-7-5-11(16,10(14)15)4-6(9(7)13)8-2-1-3-17-8/h1-4,7,9,12-13,16H,5H2,(H,14,15)/t7-,9-,11+/m1/s1
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
250n/an/an/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Competitive inhibition of Mycobacterium tuberculosis DHQ2


J Med Chem 54: 6063-84 (2011)


Article DOI: 10.1021/jm2006063
BindingDB Entry DOI: 10.7270/Q2XS5VSG
More data for this
Ligand-Target Pair