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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Monomerid = 50208857   
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))
BDBM50208857
PNG
((R)-N-((R)-3-cyano-1-cyclopentylpyrrolidin-3-yl)-2...)
Show SMILES O=C(N[C@@]1(CCN(C1)C1CCCC1)C#N)[C@H](CC1CCCCC1)CC(=O)N1CCOCC1
Show InChI InChI=1S/C25H40N4O3/c26-18-25(10-11-29(19-25)22-8-4-5-9-22)27-24(31)21(16-20-6-2-1-3-7-20)17-23(30)28-12-14-32-15-13-28/h20-22H,1-17,19H2,(H,27,31)/t21-,25+/m1/s1
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Similars

Article
PubMed
n/an/a 75n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S


Bioorg Med Chem Lett 17: 2465-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.046
BindingDB Entry DOI: 10.7270/Q24X57G7
More data for this
Ligand-Target Pair