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BDBM50005173 (3,3,3-Trifluoro-1-isopropyl-2-oxo-propyl)-carbamic acid benzyl ester::CHEMBL346051

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

InChI Key: InChIKey=GPXMOZNAEBMDJW-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50005173   
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))
BDBM50005173
PNG
((3,3,3-Trifluoro-1-isopropyl-2-oxo-propyl)-carbami...)
Show SMILES CC(C)C(NC(=O)OCc1ccccc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C14H16F3NO3/c1-9(2)11(12(19)14(15,16)17)18-13(20)21-8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,18,20)
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+3n/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