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BDBM50005155 (1-{Cyclopentyl-[(3,3,3-trifluoro-1-isopropyl-2-oxo-propylcarbamoyl)-methyl]-carbamoyl}-2-methyl-propyl)-carbamic acid benzyl ester::CHEMBL160737

SMILES: CC(C)C(NC(=O)OCc1ccccc1)C(=O)N(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)C1CCCC1

InChI Key: InChIKey=JGFRTWUNQNCPOP-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50005155   
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))
BDBM50005155
PNG
((1-{Cyclopentyl-[(3,3,3-trifluoro-1-isopropyl-2-ox...)
Show SMILES CC(C)C(NC(=O)OCc1ccccc1)C(=O)N(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)C1CCCC1
Show InChI InChI=1S/C26H36F3N3O5/c1-16(2)21(23(34)26(27,28)29)30-20(33)14-32(19-12-8-9-13-19)24(35)22(17(3)4)31-25(36)37-15-18-10-6-5-7-11-18/h5-7,10-11,16-17,19,21-22H,8-9,12-15H2,1-4H3,(H,30,33)(H,31,36)
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Similars

Article
PubMed
n/an/a 156n/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