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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Monomerid = 50223929   
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))
BDBM50223929
PNG
(7-(2,2-Dimethyl-propyl)-6-(3-methyl-2,4-dioxo-1,3,...)
Show SMILES CN1C(=O)NC2(CCN(Cc3cc4cnc(nc4n3CC(C)(C)C)C#N)CC2)C1=O
Show InChI InChI=1S/C21H27N7O2/c1-20(2,3)13-28-15(9-14-11-23-16(10-22)24-17(14)28)12-27-7-5-21(6-8-27)18(29)26(4)19(30)25-21/h9,11H,5-8,12-13H2,1-4H3,(H,25,30)
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Similars

Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of cathepsin S by fluorescence assay


Bioorg Med Chem Lett 17: 6096-100 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.047
BindingDB Entry DOI: 10.7270/Q2G160K6
More data for this
Ligand-Target Pair