BDBM50255032 CHEMBL465740::N-((R)-2-((S)-2-(benzo[d]oxazol-2-yl)pyrrolidine-1-carbonyl)heptyl)-N-hydroxyformamide
SMILES: CCCCC[C@H](CN(O)C=O)C(=O)N1CCC[C@H]1c1nc2ccccc2o1
InChI Key: InChIKey=MRDSCHQXYLDNSX-WBVHZDCISA-N
Data: 1 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Peptide deformylase (Mycobacterium tuberculosis) | BDBM50255032 (CHEMBL465740 | N-((R)-2-((S)-2-(benzo[d]oxazol-2-y...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute for Tropical Diseases Curated by ChEMBL | Assay Description Inhibition of Mycobacterium tuberculosis peptide deformylase expressed in Escherichia coli M15(pREp4) by microplate assay | Bioorg Med Chem Lett 18: 6568-72 (2008) Article DOI: 10.1016/j.bmcl.2008.10.040 BindingDB Entry DOI: 10.7270/Q2VX0GCD | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) |