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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Monomerid = 50121037   
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))
BDBM50121037
PNG
(CHEMBL323704 | [(S)-2-Phenyl-1-((2S,7R)-5,5,8-trio...)
Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@H]2N(CCCS2(=O)=O)C1=O)OCc1ccccc1
Show InChI InChI=1S/C23H25N3O6S/c27-20(25-19-21(28)26-12-7-13-33(30,31)22(19)26)18(14-16-8-3-1-4-9-16)24-23(29)32-15-17-10-5-2-6-11-17/h1-6,8-11,18-19,22H,7,12-15H2,(H,24,29)(H,25,27)/t18-,19+,22-/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: 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