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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Monomerid = 50128956   
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))
BDBM50128956
PNG
(((S)-3-Methyl-1-{2-[4-(tetrahydro-pyran-4-yloxy)-p...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NCCNc1ccc(OC2CCOCC2)cc1
Show InChI InChI=1S/C27H37N3O5/c1-20(2)18-25(30-27(32)34-19-21-6-4-3-5-7-21)26(31)29-15-14-28-22-8-10-23(11-9-22)35-24-12-16-33-17-13-24/h3-11,20,24-25,28H,12-19H2,1-2H3,(H,29,31)(H,30,32)/t25-/m0/s1
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Similars

Article
PubMed
n/an/a 4.60E+3n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human cathepsin S activity


Bioorg Med Chem Lett 13: 1997-2001 (2003)


Article DOI: 10.1016/s0960-894x(03)00344-5
BindingDB Entry DOI: 10.7270/Q2VD6XTQ
More data for this
Ligand-Target Pair