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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Monomerid = 50128960   
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))
BDBM50128960
PNG
(CHEMBL59817 | N-{(S)-1-[2-(4-Benzyloxy-phenylamino...)
Show SMILES CCc1ccc(cc1)C(=O)N[C@@H](CC(C)C)C(=O)NCCNc1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C30H37N3O3/c1-4-23-10-12-25(13-11-23)29(34)33-28(20-22(2)3)30(35)32-19-18-31-26-14-16-27(17-15-26)36-21-24-8-6-5-7-9-24/h5-17,22,28,31H,4,18-21H2,1-3H3,(H,32,35)(H,33,34)/t28-/m0/s1
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Similars

Article
PubMed
n/an/a 4.90E+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