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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Monomerid = 50119065   
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))
BDBM50119065
PNG
(CHEMBL99561 | [(S)-1-((S)-3-Hydroxy-2-oxo-1-phenet...)
Show SMILES CCC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)CO
Show InChI InChI=1S/C25H32N2O5/c1-3-18(2)23(27-25(31)32-17-20-12-8-5-9-13-20)24(30)26-21(22(29)16-28)15-14-19-10-6-4-7-11-19/h4-13,18,21,23,28H,3,14-17H2,1-2H3,(H,26,30)(H,27,31)/t18?,21-,23-/m0/s1
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Similars

Article
PubMed
811n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Binding affinity of compound was evaluated against cathepsin S.


Bioorg Med Chem Lett 12: 2887-91 (2002)


Article DOI: 10.1016/s0960-894x(02)00611-x
BindingDB Entry DOI: 10.7270/Q21V5D9F
More data for this
Ligand-Target Pair