BDBM50058494 3,5-Di-tert-butyl-4-hydroxy-benzoic acid 2,6-di-tert-butyl-4-(4-{2-methyl-1-[(2R,3aR,7aR)-2-(3,3,3-trifluoro-1-isopropyl-2-oxo-propylcarbamoyl)-octahydro-indole-1-carbonyl]-propylcarbamoyl}-benzenesulfonylaminocarbonyl)-phenyl ester::CHEMBL406740

SMILES CC(C)C(NC(=O)c1ccc(cc1)S(=O)(=O)NC(=O)c1cc(c(OC(=O)c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)c(c1)C(C)(C)C)C(C)(C)C)C(=O)N1[C@@H]2CCCC[C@@H]2C[C@@H]1C(=O)NC(C(C)C)C(=O)C(F)(F)F

InChI Key InChIKey=FHSPLASTJMBLNI-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50058494   

TargetNeutrophil elastase(Human)
Institut De Recherche Servier

Curated by ChEMBL
LigandPNGBDBM50058494(3,5-Di-tert-butyl-4-hydroxy-benzoic acid 2,6-di-te...)
Affinity DataIC50: 46nMAssay Description:Inhibitory concentration against Human Leukocyte Elastase from human sputumMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed