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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Monomerid = 50162847   
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))
BDBM50162847
PNG
(1-(1-{2-Hydroxy-3-[5-methanesulfonyl-3-(4-trifluor...)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CC(O)CN1CCC(CC1)n1c2ccccc2[nH]c1=O)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C29H33F3N6O4S/c1-43(41,42)36-15-12-25-23(18-36)27(19-6-8-20(9-7-19)29(30,31)32)34-37(25)17-22(39)16-35-13-10-21(11-14-35)38-26-5-3-2-4-24(26)33-28(38)40/h2-9,21-22,39H,10-18H2,1H3,(H,33,40)
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Similars

Article
PubMed
n/an/a 50n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against cathepsin S


Bioorg Med Chem Lett 15: 1687-91 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.045
BindingDB Entry DOI: 10.7270/Q2HM57ZT
More data for this
Ligand-Target Pair