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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Monomerid = 50244459   
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))
BDBM50244459
PNG
(7-(2,2-dimethylpropyl)-6-[(2,4-dioxo-1,3,8-triazas...)
Show SMILES CC(C)(C)Cn1c(CN2CCC3(CC2)NC(=O)NC3=O)cc2cnc(nc12)C#N
Show InChI InChI=1S/C20H25N7O2/c1-19(2,3)12-27-14(8-13-10-22-15(9-21)23-16(13)27)11-26-6-4-20(5-7-26)17(28)24-18(29)25-20/h8,10H,4-7,11-12H2,1-3H3,(H2,24,25,28,29)
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PC sid
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Similars

Article
PubMed
n/an/a>1.00E+3n/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


J Med Chem 51: 5459-62 (2008)


Article DOI: 10.1021/jm800626a
BindingDB Entry DOI: 10.7270/Q2SF2W0R
More data for this
Ligand-Target Pair