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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Monomerid = 50331566   
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))
BDBM50331566
PNG
(2-chloro-N-(1-oxopropan-2-yl)-3-(trifluoromethyl)b...)
Show SMILES CC(NC(=O)c1cccc(c1Cl)C(F)(F)F)C=O
Show InChI InChI=1S/C11H9ClF3NO2/c1-6(5-17)16-10(18)7-3-2-4-8(9(7)12)11(13,14)15/h2-6H,1H3,(H,16,18)
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 110n/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: 6890-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.012
BindingDB Entry DOI: 10.7270/Q20G3KD0
More data for this
Ligand-Target Pair