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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Ligand = 'BDBM50121040'   
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))		BDBM50121040
PNG
(CHEMBL117928 | [(S)-2-Pyridin-3-yl-1-((5S,6R)-4,4,...)
Show SMILES O=C(N[C@@H](Cc1cccnc1)C(=O)N[C@H]1[C@H]2N(CCS2(=O)=O)C1=O)OCc1ccccc1
Show InChI InChI=1S/C21H22N4O6S/c26-18(24-17-19(27)25-9-10-32(29,30)20(17)25)16(11-15-7-4-8-22-12-15)23-21(28)31-13-14-5-2-1-3-6-14/h1-8,12,16-17,20H,9-11,13H2,(H,23,28)(H,24,26)/t16-,17+,20-/m0/s1
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n/an/a 58n/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: 3417-9 (2002)


BindingDB Entry DOI: 10.7270/Q280520T
More data for this
Ligand-Target Pair