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SMILES: CCOC(=O)CNC(=O)C(=O)C(COCc1ccccc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)Cc1cccs1

InChI Key: InChIKey=DPVKBZKSSNCZRU-SKCDSABHSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50320044   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Cathepsin S


(Homo sapiens (Human))		BDBM50320044
PNG
(CHEMBL1083923 | Glycine, N-[(3S)-4-benzyloxy-3-[[[...)
Show SMILES CCOC(=O)CNC(=O)C(=O)C(COCc1ccccc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)Cc1cccs1 |r|
Show InChI InChI=1S/C30H39N3O7S/c1-2-40-27(35)18-31-30(38)28(36)25(20-39-19-22-12-7-4-8-13-22)33-29(37)24(16-21-10-5-3-6-11-21)32-26(34)17-23-14-9-15-41-23/h4,7-9,12-15,21,24-25H,2-3,5-6,10-11,16-20H2,1H3,(H,31,38)(H,32,34)(H,33,37)/t24-,25?/m0/s1
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Article
PubMed
n/an/a 7.20n/an/an/an/an/an/a



National Tsing Hua University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S expressed in Escherichia coli BL21 (DE3) after 10 mins by fluorescence assay

J Med Chem 53: 4545-9 (2010)


Article DOI: 10.1021/jm100089e
BindingDB Entry DOI: 10.7270/Q2TX3FJ2
More data for this
Ligand-Target Pair