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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Monomerid = 50135540   
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))
BDBM50135540
PNG
(4-[(R)-2-Cyano-2-((S)-2-phenylamino-3-m-tolyl-prop...)
Show SMILES Cc1cccc(C[C@H](Nc2ccccc2)C(=O)N[C@@H](COCc2ccc(cc2)C(O)=O)C#N)c1
Show InChI InChI=1S/C27H27N3O4/c1-19-6-5-7-21(14-19)15-25(29-23-8-3-2-4-9-23)26(31)30-24(16-28)18-34-17-20-10-12-22(13-11-20)27(32)33/h2-14,24-25,29H,15,17-18H2,1H3,(H,30,31)(H,32,33)/t24-,25+/m1/s1
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Similars

Article
PubMed
n/an/a 3.90E+3n/an/an/an/an/an/a



Novartis Institute of Biomedical Research

Curated by ChEMBL


Assay Description
Inhibtitory activity against cathepsin S (catS)


Bioorg Med Chem Lett 13: 4121-4 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.006
BindingDB Entry DOI: 10.7270/Q2BC3XZC
More data for this
Ligand-Target Pair