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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Monomerid = 50322924   
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))
BDBM50322924
PNG
(6-(4-(3-(2-ethyl-1H-imidazol-1-yl)propoxy)-3-(trif...)
Show SMILES CCc1nccn1CCCOc1ccc(cc1C(F)(F)F)-c1cccc(n1)C#N
Show InChI InChI=1S/C21H19F3N4O/c1-2-20-26-9-11-28(20)10-4-12-29-19-8-7-15(13-17(19)21(22,23)24)18-6-3-5-16(14-25)27-18/h3,5-9,11,13H,2,4,10,12H2,1H3
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PC cid
PC sid
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Article
PubMed
n/an/a 31n/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: 4507-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.043
BindingDB Entry DOI: 10.7270/Q2SJ1KTF
More data for this
Ligand-Target Pair