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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '1,4-Dihydroxy-2-naphthoyl-CoA synthase' and Ligand = 'BDBM50329087'   
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
1,4-Dihydroxy-2-naphthoyl-CoA synthase


(Mycobacterium tuberculosis)
BDBM50329087
PNG
((Z)-methyl 2-(6-(ethylsulfonyl)-2-oxo-2H-benzo[b][...)
Show SMILES CCS(=O)(=O)c1ccc2oc(=O)c(CC(=O)OC)nc2c1
Show InChI InChI=1S/C13H13NO6S/c1-3-21(17,18)8-4-5-11-9(6-8)14-10(13(16)20-11)7-12(15)19-2/h4-6H,3,7H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.79E+4n/an/an/an/an/an/a



Stony Brook University

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis MenB expressed in Escherichia coli BL21 (DE3) by double-reciprocal plot analysis


Bioorg Med Chem Lett 20: 6306-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.076
BindingDB Entry DOI: 10.7270/Q2M045PR
More data for this
Ligand-Target Pair