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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Ligand = 'BDBM50121901'   
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))
BDBM50121901
PNG
(Acetic acid (2S,3S)-3-((S)-2-benzyloxycarbonylamin...)
Show SMILES CC(=O)O[C@@H]1NC(=O)[C@H]1NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C22H23N3O6/c1-14(26)31-21-18(20(28)25-21)24-19(27)17(12-15-8-4-2-5-9-15)23-22(29)30-13-16-10-6-3-7-11-16/h2-11,17-18,21H,12-13H2,1H3,(H,23,29)(H,24,27)(H,25,28)/t17-,18+,21-/m0/s1
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n/an/a 207n/an/an/an/an/an/a



currently NAEJA Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin S


Bioorg Med Chem Lett 13: 139-41 (2002)


BindingDB Entry DOI: 10.7270/Q27W6BJB
More data for this
Ligand-Target Pair