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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Monomerid = 50314198   
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))
BDBM50314198
PNG
((+/-)-1-(4-(2-(5-(1-(2-hydroxy-3-(piperidin-1-yl)p...)
Show SMILES CC(=O)N1CCN(CCSc2cc(ccc2C(F)(F)F)-c2nn(CC(O)CN3CCCCC3)c3CCN(Cc23)S(C)(=O)=O)CC1
Show InChI InChI=1/C30H43F3N6O4S2/c1-22(40)37-14-12-35(13-15-37)16-17-44-28-18-23(6-7-26(28)30(31,32)33)29-25-21-38(45(2,42)43)11-8-27(25)39(34-29)20-24(41)19-36-9-4-3-5-10-36/h6-7,18,24,41H,3-5,8-17,19-21H2,1-2H3
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Article
PubMed
n/an/a 1.04E+3n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S by ADAM-28 substrate-based fluorescence assay


Bioorg Med Chem Lett 20: 2375-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.104
BindingDB Entry DOI: 10.7270/Q2B85888
More data for this
Ligand-Target Pair