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BDBM50005172 (1-{Indan-2-yl-[(3,3,3-trifluoro-2-oxo-propylcarbamoyl)-methyl]-carbamoyl}-2-methyl-propyl)-carbamic acid benzyl ester::CHEMBL160320

SMILES: CC(C)C(NC(=O)OCc1ccccc1)C(=O)N(CC(=O)NCC(=O)C(F)(F)F)C1Cc2ccccc2C1

InChI Key: InChIKey=NXTWJQHLIRXDRW-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50005172   
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))
BDBM50005172
PNG
((1-{Indan-2-yl-[(3,3,3-trifluoro-2-oxo-propylcarba...)
Show SMILES CC(C)C(NC(=O)OCc1ccccc1)C(=O)N(CC(=O)NCC(=O)C(F)(F)F)C1Cc2ccccc2C1
Show InChI InChI=1S/C27H30F3N3O5/c1-17(2)24(32-26(37)38-16-18-8-4-3-5-9-18)25(36)33(15-23(35)31-14-22(34)27(28,29)30)21-12-19-10-6-7-11-20(19)13-21/h3-11,17,21,24H,12-16H2,1-2H3,(H,31,35)(H,32,37)
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Similars

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