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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '2,3-dihydroxybenzoate-AMP ligase' and Ligand = 'BDBM50413192'   
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
2,3-dihydroxybenzoate-AMP ligase


(Mycobacterium tuberculosis)
BDBM50413192
PNG
(CHEMBL611786)
Show SMILES Nc1ncnc2n(cnc12)C1OC(COS(=O)(=O)NC(=O)c2ccccc2O)CC1O
Show InChI InChI=1S/C17H18N6O7S/c18-14-13-15(20-7-19-14)23(8-21-13)17-12(25)5-9(30-17)6-29-31(27,28)22-16(26)10-3-1-2-4-11(10)24/h1-4,7-9,12,17,24-25H,5-6H2,(H,22,26)(H2,18,19,20)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.20n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis BAG RV143 MbtA expressed in Escherichia coli BL21 (DE3) assessed as ATP-[32P]PPi exchange by liquid scintill...


J Med Chem 51: 7154-60 (2009)


Article DOI: 10.1021/jm800668u
BindingDB Entry DOI: 10.7270/Q2ZK5HXC
More data for this
Ligand-Target Pair