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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Monomerid = 50208841   
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))
BDBM50208841
PNG
((R)-N-((R)-3-cyano-1-cyclohexylpyrrolidin-3-yl)-4-...)
Show SMILES O=C(C[C@@H](CC1CCC(CC1)c1ccccc1)C(=O)N[C@@]1(CCN(C1)C1CCCCC1)C#N)N1CCOCC1
Show InChI InChI=1S/C32H46N4O3/c33-23-32(15-16-36(24-32)29-9-5-2-6-10-29)34-31(38)28(22-30(37)35-17-19-39-20-18-35)21-25-11-13-27(14-12-25)26-7-3-1-4-8-26/h1,3-4,7-8,25,27-29H,2,5-6,9-22,24H2,(H,34,38)/t25?,27?,28-,32+/m1/s1
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Similars

Article
PubMed
n/an/a 3.14E+3n/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