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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Monomerid = 50152983   
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))
BDBM50152983
PNG
(1-[2-Hydroxy-3-(4-o-tolyl-piperazin-1-yl)-propyl]-...)
Show SMILES Cc1ccccc1N1CCN(CC(O)Cn2nc(c3CN(CCc23)C(N)=O)-c2ccc(I)cc2)CC1
Show InChI InChI=1/C27H33IN6O2/c1-19-4-2-3-5-24(19)32-14-12-31(13-15-32)16-22(35)17-34-25-10-11-33(27(29)36)18-23(25)26(30-34)20-6-8-21(28)9-7-20/h2-9,22,35H,10-18H2,1H3,(H2,29,36)
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Similars

Article
PubMed
n/an/a 1.40E+4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibitory concentration against human cysteine protease cathepsin S


J Med Chem 47: 4799-801 (2004)


Article DOI: 10.1021/jm0496133
BindingDB Entry DOI: 10.7270/Q28P6008
More data for this
Ligand-Target Pair