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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Monomerid = 50273218   
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))
BDBM50273218
PNG
(2-Cyano-4-[(spiro[2.5]oct-6-ylmethyl)-amino]-pyrim...)
Show SMILES O=C(NCCc1ccccc1)c1cnc(nc1NCC1CCC2(CC2)CC1)C#N
Show InChI InChI=1S/C23H27N5O/c24-14-20-26-16-19(22(29)25-13-8-17-4-2-1-3-5-17)21(28-20)27-15-18-6-9-23(10-7-18)11-12-23/h1-5,16,18H,6-13,15H2,(H,25,29)(H,26,27,28)
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Similars

Article
PubMed
n/an/a 15n/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