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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Monomerid = 50128957   
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))
BDBM50128957
PNG
(1H-Indole-2-carboxylic acid {(S)-1-[2-(4-cyclopent...)
Show SMILES CC(C)C[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)NCCNc1ccc(OCC2CCCC2)cc1
Show InChI InChI=1S/C29H38N4O3/c1-20(2)17-26(33-29(35)27-18-22-9-5-6-10-25(22)32-27)28(34)31-16-15-30-23-11-13-24(14-12-23)36-19-21-7-3-4-8-21/h5-6,9-14,18,20-21,26,30,32H,3-4,7-8,15-17,19H2,1-2H3,(H,31,34)(H,33,35)/t26-/m0/s1
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Similars

Article
PubMed
n/an/a 7.50E+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