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BDBM50117081 (S)-7,9-Dibromo-8-methoxy-1-oxa-2-aza-spiro[4.5]deca-2,6,8-triene-3-carboxylic acid [2-(2-amino-3H-imidazol-4-yl)-ethyl]-amide::CHEMBL82521

SMILES: COC1=C(Br)C[C@@]2(CC(=NO2)C(=O)NCCc2cnc(N)[nH]2)C=C1Br

InChI Key: InChIKey=FYZFUQPRESFRGX-OAHLLOKOSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50117081   
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)
BDBM50117081
PNG
((S)-7,9-Dibromo-8-methoxy-1-oxa-2-aza-spiro[4.5]de...)
Show SMILES COC1=C(Br)C[C@@]2(CC(=NO2)C(=O)NCCc2cnc(N)[nH]2)C=C1Br |c:2,8,24|
Show InChI InChI=1S/C15H17Br2N5O3/c1-24-12-9(16)4-15(5-10(12)17)6-11(22-25-15)13(23)19-3-2-8-7-20-14(18)21-8/h4,7H,2-3,5-6H2,1H3,(H,19,23)(H3,18,20,21)/t15-/m1/s1
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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.00E+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