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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Monomerid = 50135539   
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))
BDBM50135539
PNG
(3-[(R)-2-Cyano-2-((S)-3-phenyl-2-phenylamino-propi...)
Show SMILES OC(=O)c1cccc(COC[C@H](NC(=O)[C@H](Cc2ccccc2)Nc2ccccc2)C#N)c1
Show InChI InChI=1S/C26H25N3O4/c27-16-23(18-33-17-20-10-7-11-21(14-20)26(31)32)29-25(30)24(15-19-8-3-1-4-9-19)28-22-12-5-2-6-13-22/h1-14,23-24,28H,15,17-18H2,(H,29,30)(H,31,32)/t23-,24+/m1/s1
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Similars

Article
PubMed
n/an/a 2.60E+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