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BDBM50005146 (1-{Indan-2-yl-[(3,3,3-trifluoro-1-isopropyl-2-oxo-propylcarbamoyl)-methyl]-carbamoyl}-2-methyl-propyl)-methyl-carbamic acid benzyl ester::CHEMBL160206

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

InChI Key: InChIKey=MZOXTYPSVBAIBA-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50005146   
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))
BDBM50005146
PNG
((1-{Indan-2-yl-[(3,3,3-trifluoro-1-isopropyl-2-oxo...)
Show SMILES CC(C)C(NC(=O)CN(C1Cc2ccccc2C1)C(=O)C(C(C)C)N(C)C(=O)OCc1ccccc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C31H38F3N3O5/c1-19(2)26(28(39)31(32,33)34)35-25(38)17-37(24-15-22-13-9-10-14-23(22)16-24)29(40)27(20(3)4)36(5)30(41)42-18-21-11-7-6-8-12-21/h6-14,19-20,24,26-27H,15-18H2,1-5H3,(H,35,38)
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MMDB

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Similars

Article
PubMed
n/an/a 1.56E+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