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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Monomerid = 50121910   
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))
BDBM50121910
PNG
(CHEMBL30969 | [(S)-1-((2S,3S)-2-Butoxy-4-oxo-azeti...)
Show SMILES CCCCO[C@@H]1NC(=O)[C@H]1NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C24H29N3O5/c1-2-3-14-31-23-20(22(29)27-23)26-21(28)19(15-17-10-6-4-7-11-17)25-24(30)32-16-18-12-8-5-9-13-18/h4-13,19-20,23H,2-3,14-16H2,1H3,(H,25,30)(H,26,28)(H,27,29)/t19-,20+,23-/m0/s1
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Article
PubMed
n/an/a 355n/an/an/an/an/an/a



currently NAEJA Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin S


Bioorg Med Chem Lett 13: 139-41 (2002)


Article DOI: 10.1016/s0960-894x(02)00831-4
BindingDB Entry DOI: 10.7270/Q27W6BJB
More data for this
Ligand-Target Pair