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BDBM50227092 5-(4-chlorophenyl)-N-((2R,3R,4R,5S,6R)-2-(cyclohexylthio)-tetrahydro-4,5-dihydroxy-6-(hydroxymethyl)-2H-pyran-3-yl)furan-2-carboxamide::CHEMBL238766

SMILES: OC[C@@H]1O[C@@H](SC2CCCCC2)[C@@H](NC(=O)c2ccc(o2)-c2ccc(Cl)cc2)[C@H](O)[C@H]1O

InChI Key: InChIKey=KMHARQIVVWZGJD-JSSYZSAGSA-N

Data: 2 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 2 hits for monomerid = 50227092   
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
LmbE-related protein


(Mycobacterium tuberculosis)
BDBM50227092
PNG
(5-(4-chlorophenyl)-N-((2R,3R,4R,5S,6R)-2-(cyclohex...)
Show SMILES OC[C@@H]1O[C@@H](SC2CCCCC2)[C@@H](NC(=O)c2ccc(o2)-c2ccc(Cl)cc2)[C@H](O)[C@H]1O
Show InChI InChI=1S/C23H28ClNO6S/c24-14-8-6-13(7-9-14)16-10-11-17(30-16)22(29)25-19-21(28)20(27)18(12-26)31-23(19)32-15-4-2-1-3-5-15/h6-11,15,18-21,23,26-28H,1-5,12H2,(H,25,29)/t18-,19-,20-,21-,23-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.00E+3n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


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


J Med Chem 50: 6326-36 (2007)


Article DOI: 10.1021/jm070669h
More data for this
Ligand-Target Pair
Mycothiol S-conjugate amidase


(Mycobacterium tuberculosis)
BDBM50227092
PNG
(5-(4-chlorophenyl)-N-((2R,3R,4R,5S,6R)-2-(cyclohex...)
Show SMILES OC[C@@H]1O[C@@H](SC2CCCCC2)[C@@H](NC(=O)c2ccc(o2)-c2ccc(Cl)cc2)[C@H](O)[C@H]1O
Show InChI InChI=1S/C23H28ClNO6S/c24-14-8-6-13(7-9-14)16-10-11-17(30-16)22(29)25-19-21(28)20(27)18(12-26)31-23(19)32-15-4-2-1-3-5-15/h6-11,15,18-21,23,26-28H,1-5,12H2,(H,25,29)/t18-,19-,20-,21-,23-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.30E+4n/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