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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 = 'BDBM50053796'   
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)
BDBM50053796
PNG
(CHEMBL130107 | {3-Methyl-1-[1-(2-morpholin-4-yl-et...)
Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C25H38N4O6/c1-4-20(22(30)24(32)26-10-11-29-12-14-34-15-13-29)27-23(31)21(16-18(2)3)28-25(33)35-17-19-8-6-5-7-9-19/h5-9,18,20-21H,4,10-17H2,1-3H3,(H,26,32)(H,27,31)(H,28,33)
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Similars

Article
PubMed
2.5n/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