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BDBM50005175 CHEMBL159116::N-(1-{Benzyl-[(3,3,3-trifluoro-1-isopropyl-2-oxo-propylcarbamoyl)-methyl]-carbamoyl}-2-methyl-propyl)-4-(4-chloro-benzenesulfonylaminocarbonyl)-benzamide

SMILES: CC(C)C(NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)Cc1ccccc1

InChI Key: InChIKey=FVTMMXGQLWOOKX-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50005175   
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
Leukocyte elastase


(Homo sapiens (Human))
BDBM50005175
PNG
(CHEMBL159116 | N-(1-{Benzyl-[(3,3,3-trifluoro-1-is...)
Show SMILES CC(C)C(NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)Cc1ccccc1
Show InChI InChI=1S/C34H36ClF3N4O7S/c1-20(2)28(30(44)34(36,37)38)39-27(43)19-42(18-22-8-6-5-7-9-22)33(47)29(21(3)4)40-31(45)23-10-12-24(13-11-23)32(46)41-50(48,49)26-16-14-25(35)15-17-26/h5-17,20-21,28-29H,18-19H2,1-4H3,(H,39,43)(H,40,45)(H,41,46)
PDB
MMDB

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Similars

Article
PubMed
n/an/a 217n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human leukocyte elastase


J Med Chem 35: 641-62 (1992)


Article DOI: 10.1021/jm00082a005
BindingDB Entry DOI: 10.7270/Q2K074X9
More data for this
Ligand-Target Pair