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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 = 'BDBM50053817'   
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)
BDBM50053817
PNG
((1-{1-[2-(3-Methoxy-phenyl)-ethylaminooxalyl]-prop...)
Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCc1cccc(OC)c1
Show InChI InChI=1S/C28H37N3O6/c1-5-23(25(32)27(34)29-15-14-20-12-9-13-22(17-20)36-4)30-26(33)24(16-19(2)3)31-28(35)37-18-21-10-7-6-8-11-21/h6-13,17,19,23-24H,5,14-16,18H2,1-4H3,(H,29,34)(H,30,33)(H,31,35)
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Similars

Article
PubMed
0.310n/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