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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Monomerid = 50152984   
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))
BDBM50152984
PNG
(1-(4-Phenyl-piperazin-1-yl)-3-(3-phenyl-4,5,6,7-te...)
Show SMILES OC(CN1CCN(CC1)c1ccccc1)Cn1nc(c2CNCCc12)-c1ccccc1
Show InChI InChI=1/C25H31N5O/c31-22(18-28-13-15-29(16-14-28)21-9-5-2-6-10-21)19-30-24-11-12-26-17-23(24)25(27-30)20-7-3-1-4-8-20/h1-10,22,26,31H,11-19H2
PDB
MMDB

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Similars

Article
PubMed
n/an/a 5n/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