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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Monomerid = 50320049   
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))
BDBM50320049
PNG
(CHEMBL1085972 | Glycine, N-[(3S)-4-benzyloxy-3-[[[...)
Show SMILES CCOC(=O)CNC(=O)C(=O)C(COCc1ccccc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C45H51N3O7/c1-2-55-41(50)30-46-44(53)42(51)39(32-54-31-34-20-10-4-11-21-34)48-43(52)38(28-33-18-8-3-9-19-33)47-40(49)29-45(35-22-12-5-13-23-35,36-24-14-6-15-25-36)37-26-16-7-17-27-37/h4-7,10-17,20-27,33,38-39H,2-3,8-9,18-19,28-32H2,1H3,(H,46,53)(H,47,49)(H,48,52)/t38-,39?/m0/s1
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Similars

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