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BDBM50005153 4-(4-Chloro-benzenesulfonylaminocarbonyl)-N-(1-{cyclopentyl-[(3,3,3-trifluoro-1-isopropyl-2-oxo-propylcarbamoyl)-methyl]-carbamoyl}-2-methyl-propyl)-benzamide::CHEMBL348342

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)C1CCCC1

InChI Key: InChIKey=TTYXCGZEZQXECO-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50005153   
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))
BDBM50005153
PNG
(4-(4-Chloro-benzenesulfonylaminocarbonyl)-N-(1-{cy...)
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)C1CCCC1
Show InChI InChI=1S/C32H38ClF3N4O7S/c1-18(2)26(28(42)32(34,35)36)37-25(41)17-40(23-7-5-6-8-23)31(45)27(19(3)4)38-29(43)20-9-11-21(12-10-20)30(44)39-48(46,47)24-15-13-22(33)14-16-24/h9-16,18-19,23,26-27H,5-8,17H2,1-4H3,(H,37,41)(H,38,43)(H,39,44)
PDB
MMDB

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Similars

Article
PubMed
n/an/a 92n/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