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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin (B and K)' and Ligand = 'BDBM50053843'   
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 (B and K)


(Homo sapiens)
BDBM50053843
PNG
((1-{1-Benzyl-2-oxo-2-[(pyridin-2-ylmethyl)-carbamo...)
Show SMILES CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCc1ccccn1
Show InChI InChI=1S/C30H34N4O5/c1-21(2)17-26(34-30(38)39-20-23-13-7-4-8-14-23)28(36)33-25(18-22-11-5-3-6-12-22)27(35)29(37)32-19-24-15-9-10-16-31-24/h3-16,21,25-26H,17-20H2,1-2H3,(H,32,37)(H,33,36)(H,34,38)
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Similars

Article
PubMed
0.800n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin B


J Med Chem 39: 4089-98 (1996)

More data for this
Ligand-Target Pair