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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Monomerid = 50323273   
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))
BDBM50323273
PNG
(6-(3-(trifluoromethyl)phenyl)-1H-imidazo[4,5-c]pyr...)
Show SMILES FC(F)(F)c1cccc(c1)-c1cc2nc[nH]c2c(n1)C#N
Show InChI InChI=1S/C14H7F3N4/c15-14(16,17)9-3-1-2-8(4-9)10-5-11-13(20-7-19-11)12(6-18)21-10/h1-5,7H,(H,19,20)
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MMDB

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Article
PubMed
n/an/a 1.05E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S by fluorescence assay


Bioorg Med Chem Lett 20: 4350-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.072
BindingDB Entry DOI: 10.7270/Q2028RR9
More data for this
Ligand-Target Pair