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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Monomerid = 50165426   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cathepsin S


(Homo sapiens (Human))
BDBM50165426
PNG
(CHEMBL196298 | [(S)-1-((R)-1-Phenyl-ethylaminooxal...)
Show SMILES CCCC[C@H](NC(=O)OC1CC2CCC1C2)C(=O)C(=O)N[C@H](C)c1ccccc1
Show InChI InChI=1S/C23H32N2O4/c1-3-4-10-19(25-23(28)29-20-14-16-11-12-18(20)13-16)21(26)22(27)24-15(2)17-8-6-5-7-9-17/h5-9,15-16,18-20H,3-4,10-14H2,1-2H3,(H,24,27)(H,25,28)/t15-,16?,18?,19+,20?/m1/s1
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Similars

Article
PubMed
n/an/a 19n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against human cathepsin S by fluorescence assay using 10 uM Cbz-Val-Val-Arg-AMC


Bioorg Med Chem Lett 15: 2209-13 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.023
BindingDB Entry DOI: 10.7270/Q20C4V8V
More data for this
Ligand-Target Pair