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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Monomerid = 50121032   
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))
BDBM50121032
PNG
(CHEMBL424441 | [(S)-1-((5R,6S)-7-Oxo-4-oxa-1-aza-b...)
Show SMILES C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H]1[C@H]2OCCN2C1=O
Show InChI InChI=1S/C16H19N3O5/c1-10(17-16(22)24-9-11-5-3-2-4-6-11)13(20)18-12-14(21)19-7-8-23-15(12)19/h2-6,10,12,15H,7-9H2,1H3,(H,17,22)(H,18,20)/t10-,12+,15+/m0/s1
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Article
PubMed
n/an/a>2.50E+3n/an/an/an/an/an/a



currently NAEJA Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
In vitro Inhibitory activity of the compound was determined against Cathepsin S cysteine protease by using Cbz-Val-Arg-AMC


Bioorg Med Chem Lett 12: 3413-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00765-5
BindingDB Entry DOI: 10.7270/Q2CR5SQF
More data for this
Ligand-Target Pair