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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Monomerid = 50251942   
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))
BDBM50251942
PNG
(CHEMBL520427 | N-(4-((2-cyano-7-(2-cyclohexylethyl...)
Show SMILES CC(=O)Nc1ccc(OCc2cc3cnc(nc3n2CCC2CCCCC2)C#N)cc1
Show InChI InChI=1S/C24H27N5O2/c1-17(30)27-20-7-9-22(10-8-20)31-16-21-13-19-15-26-23(14-25)28-24(19)29(21)12-11-18-5-3-2-4-6-18/h7-10,13,15,18H,2-6,11-12,16H2,1H3,(H,27,30)
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Similars

Article
PubMed
n/an/a 8n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S by fluorescence assay


Bioorg Med Chem Lett 18: 3959-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.009
BindingDB Entry DOI: 10.7270/Q23N235B
More data for this
Ligand-Target Pair