new BindingDB logo
myBDB logout

BDBM50117082 3-(3-Bromo-phenyl)-N-[2-(2,6-dimethyl-phenyldisulfanyl)-ethyl]-2-[(E)-hydroxyimino]-propionamide::CHEMBL85501

SMILES: Cc1cccc(C)c1SSCCNC(=O)C(Cc1cccc(Br)c1)N=O

InChI Key: InChIKey=BIHKUCCLEJAXFX-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50117082   
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)
BDBM50117082
PNG
(3-(3-Bromo-phenyl)-N-[2-(2,6-dimethyl-phenyldisulf...)
Show SMILES Cc1cccc(C)c1SSCCNC(=O)C(Cc1cccc(Br)c1)N=O
Show InChI InChI=1S/C19H21BrN2O2S2/c1-13-5-3-6-14(2)18(13)26-25-10-9-21-19(23)17(22-24)12-15-7-4-8-16(20)11-15/h3-8,11,17H,9-10,12H2,1-2H3,(H,21,23)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
PubMed
n/an/a 6.50E+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