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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Monomerid = 50119066   
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))
BDBM50119066
PNG
(CHEMBL100428 | [(S)-1-((S)-3-Benzyloxy-2-oxo-1-phe...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)COCc1ccccc1
Show InChI InChI=1S/C32H38N2O5/c1-24(2)20-29(34-32(37)39-22-27-16-10-5-11-17-27)31(36)33-28(19-18-25-12-6-3-7-13-25)30(35)23-38-21-26-14-8-4-9-15-26/h3-17,24,28-29H,18-23H2,1-2H3,(H,33,36)(H,34,37)/t28-,29-/m0/s1
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Similars

Article
PubMed
451n/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