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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mycothiol S-conjugate amidase' and Ligand = 'BDBM50117085'   
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
Mycothiol S-conjugate amidase


(Mycobacterium tuberculosis)
BDBM50117085
PNG
(CHEMBL81748 | N-[2-(4-Amino-phenyldisulfanyl)-ethy...)
Show SMILES Nc1ccc(SSCCNC(=O)C(Cc2cc(F)cc(F)c2)N=O)cc1
Show InChI InChI=1S/C17H17F2N3O2S2/c18-12-7-11(8-13(19)10-12)9-16(22-24)17(23)21-5-6-25-26-15-3-1-14(20)2-4-15/h1-4,7-8,10,16H,5-6,9,20H2,(H,21,23)
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KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
PubMed
n/an/a 4.50E+5n/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