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SMILES: CCOC(=O)CNC(=O)C(=O)C(COCc1ccccc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)CCC(=O)c1ccc2ccc3cccc4ccc1c2c34

InChI Key: InChIKey=ZYIFODIUXXTNDG-TYIYNAFKSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50320050   
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))		BDBM50320050
PNG
(CHEMBL1085973 | ethyl 2-(4-(benzyloxy)-3-((S)-3-cy...)
Show SMILES CCOC(=O)CNC(=O)C(=O)C(COCc1ccccc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)CCC(=O)c1ccc2ccc3cccc4ccc1c2c34 |r|
Show InChI InChI=1S/C44H47N3O8/c1-2-55-39(50)25-45-44(53)42(51)36(27-54-26-29-12-7-4-8-13-29)47-43(52)35(24-28-10-5-3-6-11-28)46-38(49)23-22-37(48)33-20-18-32-17-16-30-14-9-15-31-19-21-34(33)41(32)40(30)31/h4,7-9,12-21,28,35-36H,2-3,5-6,10-11,22-27H2,1H3,(H,45,53)(H,46,49)(H,47,52)/t35-,36?/m0/s1
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Article
PubMed
n/an/a>100n/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