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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Monomerid = 50119062   
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))
BDBM50119062
PNG
(3-Aminomethyl-N-[(S)-1-((S)-3-hydroxy-2-oxo-1-phen...)
Show SMILES CCC(C)[C@H](NC(=O)c1cccc(CN)c1)C(=O)N[C@@H](CCc1ccccc1)C(=O)CO
Show InChI InChI=1S/C25H33N3O4/c1-3-17(2)23(28-24(31)20-11-7-10-19(14-20)15-26)25(32)27-21(22(30)16-29)13-12-18-8-5-4-6-9-18/h4-11,14,17,21,23,29H,3,12-13,15-16,26H2,1-2H3,(H,27,32)(H,28,31)/t17?,21-,23-/m0/s1
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Similars

Article
PubMed
180n/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