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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Monomerid = 50121041   
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))
BDBM50121041
PNG
(CHEMBL326093 | [(S)-1-((R)-4,7-Dioxo-4-(S)-oxo-4la...)
Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@H]2N(CCS2(=O)=O)C1=O)OCc1ccccc1
Show InChI InChI=1S/C22H23N3O6S/c26-19(24-18-20(27)25-11-12-32(29,30)21(18)25)17(13-15-7-3-1-4-8-15)23-22(28)31-14-16-9-5-2-6-10-16/h1-10,17-18,21H,11-14H2,(H,23,28)(H,24,26)/t17-,18+,21-/m0/s1
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Article
PubMed
n/an/a 10n/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: 3417-9 (2002)


Article DOI: 10.1016/s0960-894x(02)00766-7
BindingDB Entry DOI: 10.7270/Q280520T
More data for this
Ligand-Target Pair