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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Monomerid = 50182119   
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))
BDBM50182119
PNG
(4-(1-(3-(3-(4-(trifluoromethyl)phenyl)-4,5,6,7-tet...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1nn(CCCN2CCC(CC2)N2C(=O)COc3ccccc23)c2CCNCc12
Show InChI InChI=1S/C29H32F3N5O2/c30-29(31,32)21-8-6-20(7-9-21)28-23-18-33-13-10-24(23)36(34-28)15-3-14-35-16-11-22(12-17-35)37-25-4-1-2-5-26(25)39-19-27(37)38/h1-2,4-9,22,33H,3,10-19H2
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Similars

Article
PubMed
n/an/a 1.80E+3n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of cathepsin S


Bioorg Med Chem Lett 16: 2209-12 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.038
BindingDB Entry DOI: 10.7270/Q2K35T7W
More data for this
Ligand-Target Pair