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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 = 'BDBM50227095'   
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)
BDBM50227095
PNG
(CHEMBL238991 | tert-butyl 1-((2R,3R,4R,5S,6R)-2-(c...)
Show SMILES CC(C)(C)C(=O)ON[C@@H](CCc1ccccc1)C(=O)N[C@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@H]1SC1CCCCC1
Show InChI InChI=1S/C27H42N2O7S/c1-27(2,3)26(34)36-29-19(15-14-17-10-6-4-7-11-17)24(33)28-21-23(32)22(31)20(16-30)35-25(21)37-18-12-8-5-9-13-18/h4,6-7,10-11,18-23,25,29-32H,5,8-9,12-16H2,1-3H3,(H,28,33)/t19-,20-,21-,22-,23-,25-/m0/s1
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.45E+5n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis MCA by fluorescence-detected HPLC assay


J Med Chem 50: 6326-36 (2007)


Article DOI: 10.1021/jm070669h
More data for this
Ligand-Target Pair