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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Monomerid = 50273289   
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))
BDBM50273289
PNG
(2-Cyano-4-(1-methyl-piperidin-4-yloxy)-6-[(spiro[2...)
Show SMILES CN1CCC(CC1)Oc1nc(nc(NCC2CCC3(CC3)CC2)c1C(=O)NCc1ccccc1)C#N
Show InChI InChI=1S/C28H36N6O2/c1-34-15-9-22(10-16-34)36-27-24(26(35)31-19-20-5-3-2-4-6-20)25(32-23(17-29)33-27)30-18-21-7-11-28(12-8-21)13-14-28/h2-6,21-22H,7-16,18-19H2,1H3,(H,31,35)(H,30,32,33)
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Similars

Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S by fluorometric assay


Bioorg Med Chem Lett 18: 4642-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.011
BindingDB Entry DOI: 10.7270/Q2WH2PS6
More data for this
Ligand-Target Pair