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BDBM50117079 3-(3-Chloro-4-hydroxy-phenyl)-N-[2-(4-fluoro-phenyldisulfanyl)-ethyl]-2-[(Z)-hydroxyimino]-propionamide::CHEMBL81695

SMILES: Oc1ccc(CC(N=O)C(=O)NCCSSc2ccc(F)cc2)cc1Cl

InChI Key: InChIKey=SYUMKCHRGGQZJN-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50117079   
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
Mycothiol S-conjugate amidase


(Mycobacterium tuberculosis)
BDBM50117079
PNG
(3-(3-Chloro-4-hydroxy-phenyl)-N-[2-(4-fluoro-pheny...)
Show SMILES Oc1ccc(CC(N=O)C(=O)NCCSSc2ccc(F)cc2)cc1Cl
Show InChI InChI=1S/C17H16ClFN2O3S2/c18-14-9-11(1-6-16(14)22)10-15(21-24)17(23)20-7-8-25-26-13-4-2-12(19)3-5-13/h1-6,9,15,22H,7-8,10H2,(H,20,23)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
PubMed
n/an/a 3.70E+4n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of Mycothiol -S-conjugate amidase (MCA) from mycobacterium tuberculosis


Bioorg Med Chem Lett 12: 2487-90 (2002)

More data for this
Ligand-Target Pair