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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Monomerid = 50128972   
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))
BDBM50128972
PNG
(((S)-1-{2-[4-(2-Imidazol-1-yl-ethoxy)-phenylamino]...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NCCNc1ccc(OCCn2ccnc2)cc1
Show InChI InChI=1S/C27H35N5O4/c1-21(2)18-25(31-27(34)36-19-22-6-4-3-5-7-22)26(33)30-13-12-29-23-8-10-24(11-9-23)35-17-16-32-15-14-28-20-32/h3-11,14-15,20-21,25,29H,12-13,16-19H2,1-2H3,(H,30,33)(H,31,34)/t25-/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.70E+3n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human cathepsin S activity


Bioorg Med Chem Lett 13: 1997-2001 (2003)


Article DOI: 10.1016/s0960-894x(03)00344-5
BindingDB Entry DOI: 10.7270/Q2VD6XTQ
More data for this
Ligand-Target Pair