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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Ligand = 'BDBM50121028'   
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))		BDBM50121028
PNG
(CHEMBL113761 | [(S)-1-((S)-7-Oxo-4-oxa-1-aza-bicyc...)
Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@H]2OCCN2C1=O)OCc1ccccc1
Show InChI InChI=1S/C22H23N3O5/c26-19(24-18-20(27)25-11-12-29-21(18)25)17(13-15-7-3-1-4-8-15)23-22(28)30-14-16-9-5-2-6-10-16/h1-10,17-18,21H,11-14H2,(H,23,28)(H,24,26)/t17-,18+,21+/m0/s1
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n/an/a 430n/an/an/an/an/an/a



currently NAEJA Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
In vitro Inhibitory activity of the compound was determined against Cathepsin S cysteine protease by using Cbz-Val-Arg-AMC

Bioorg Med Chem Lett 12: 3413-5 (2002)


BindingDB Entry DOI: 10.7270/Q2CR5SQF
More data for this
Ligand-Target Pair