BDBM50227095 CHEMBL238991::tert-butyl 1-((2R,3R,4R,5S,6R)-2-(cyclohexylthio)-4,5-dihydroxy-6-(hydroxymethyl)-tetrahydro-2H-pyran-3-ylamino)-1-oxo-4-phenylbutan-2-ylcarbamate
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
InChI Key: InChIKey=IYLQTEHCQAINBA-RYBBFAMKSA-N
Data: 2 IC50
Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
LmbE-related protein (Mycobacterium tuberculosis) | BDBM50227095 (CHEMBL238991 | tert-butyl 1-((2R,3R,4R,5S,6R)-2-(c...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/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 BindingDB Entry DOI: 10.7270/Q21J99H9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mycothiol S-conjugate amidase (Mycobacterium tuberculosis) | BDBM50227095 (CHEMBL238991 | tert-butyl 1-((2R,3R,4R,5S,6R)-2-(c...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 1.45E+5 | n/a | n/a | n/a | n/a | n/a | n/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 BindingDB Entry DOI: 10.7270/Q21J99H9 | |||||||||||
More data for this Ligand-Target Pair |