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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Monomerid = 50252038   
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))
BDBM50252038
PNG
(6-((4-(1-acetyl-1,2,3,6-tetrahydropyridin-4-yl)phe...)
Show SMILES CC(=O)N1CCC(=CC1)c1ccc(OCc2cc3cnc(nc3n2CCC2CCCCC2)C#N)cc1
Show InChI InChI=1S/C29H33N5O2/c1-21(35)33-14-12-24(13-15-33)23-7-9-27(10-8-23)36-20-26-17-25-19-31-28(18-30)32-29(25)34(26)16-11-22-5-3-2-4-6-22/h7-10,12,17,19,22H,2-6,11,13-16,20H2,1H3
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Similars

Article
PubMed
n/an/a 13n/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