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BDBM232212 N-pentafluorobenzoyl-L-leucine-β-alanine benzyl ester (8)

SMILES: CC(C)C[C@H](NC(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)NCCC(=O)Oc1ccccc1

InChI Key: InChIKey=IZDFQWLAUGCOFD-UGPWUYPHNA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 232212   
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
Cathepsin L1 (CL1)


(Fasciola hepatica (Liver fluke))
BDBM232212
PNG
(N-pentafluorobenzoyl-L-leucine-β-alanine benz...)
Show SMILES CC(C)C[C@H](NC(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)NCCC(=O)Oc1ccccc1
Show InChI InChI=1/C22H21F5N2O4/c1-11(2)10-13(21(31)28-9-8-14(30)33-12-6-4-3-5-7-12)29-22(32)15-16(23)18(25)20(27)19(26)17(15)24/h3-7,11,13H,8-10H2,1-2H3,(H,28,31)(H,29,32)/t13-/s2
PDB

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.77E+4n/an/an/an/an/an/a



Dublin City University



Assay Description
The protease was activated by the addition of dithiothreitol, ethylenediaminetetraacetic acid (EDTA), and sodium acetate followed by incubation at 37...


J Enzyme Inhib Med Chem 25: 1-12 (2010)


Article DOI: 10.3109/14756360902888184
BindingDB Entry DOI: 10.7270/Q29G5KP4
More data for this
Ligand-Target Pair