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BDBM50005176 4-{{2-[4-(4-Chloro-benzenesulfonylaminocarbonyl)-benzoylamino]-3-methyl-butyryl}-[(3,3,3-trifluoro-1-isopropyl-2-oxo-propylcarbamoyl)-methyl]-amino}-piperidine-1-carboxylic acid ethyl ester::CHEMBL160570

SMILES: CCOC(=O)N1CCC(CC1)N(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)C(=O)C(NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(C)C

InChI Key: InChIKey=UTMHJLQMVSNZMR-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50005176   
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))
BDBM50005176
PNG
(4-{{2-[4-(4-Chloro-benzenesulfonylaminocarbonyl)-b...)
Show SMILES CCOC(=O)N1CCC(CC1)N(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)C(=O)C(NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(C)C
Show InChI InChI=1S/C35H43ClF3N5O9S/c1-6-53-34(50)43-17-15-25(16-18-43)44(19-27(45)40-28(20(2)3)30(46)35(37,38)39)33(49)29(21(4)5)41-31(47)22-7-9-23(10-8-22)32(48)42-54(51,52)26-13-11-24(36)12-14-26/h7-14,20-21,25,28-29H,6,15-19H2,1-5H3,(H,40,45)(H,41,47)(H,42,48)
PDB
MMDB

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PC sid
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Similars

Article
PubMed
n/an/a 57n/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