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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Ligand = 'BDBM50128949'   
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))
BDBM50128949
PNG
(CHEMBL292472 | N-{(S)-1-[2-(4-Methoxy-phenylamino)...)
Show SMILES COc1ccc(NCCNC(=O)[C@H](CC(C)C)NC(=O)c2ccc(C)cc2)cc1
Show InChI InChI=1S/C23H31N3O3/c1-16(2)15-21(26-22(27)18-7-5-17(3)6-8-18)23(28)25-14-13-24-19-9-11-20(29-4)12-10-19/h5-12,16,21,24H,13-15H2,1-4H3,(H,25,28)(H,26,27)/t21-/m0/s1
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Similars

Article
PubMed
n/an/a 580n/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