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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Monomerid = 50323090   
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))
BDBM50323090
PNG
(2-(3-(trifluoromethyl)phenyl)-9H-purine-6-carbonit...)
Show SMILES FC(F)(F)c1cccc(c1)-c1nc(C#N)c2[nH]cnc2n1
Show InChI InChI=1S/C13H6F3N5/c14-13(15,16)8-3-1-2-7(4-8)11-20-9(5-17)10-12(21-11)19-6-18-10/h1-4,6H,(H,18,19,20,21)
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 60n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S


Bioorg Med Chem Lett 20: 4447-50 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.049
BindingDB Entry DOI: 10.7270/Q2RJ4JP2
More data for this
Ligand-Target Pair