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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin B' and Ligand = 'BDBM50053808'   
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


(Bos taurus (bovine))
BDBM50053808
PNG
(CHEMBL130345 | {1-[1-(2,2-Diethoxy-ethylaminooxaly...)
Show SMILES CCOC(CNC(=O)C(=O)C(CC)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)OCC
Show InChI InChI=1S/C25H39N3O7/c1-6-19(22(29)24(31)26-15-21(33-7-2)34-8-3)27-23(30)20(14-17(4)5)28-25(32)35-16-18-12-10-9-11-13-18/h9-13,17,19-21H,6-8,14-16H2,1-5H3,(H,26,31)(H,27,30)(H,28,32)
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PC cid
PC sid
UniChem
Article
PubMed
0.110n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of bovine cathepsin B


J Med Chem 39: 4089-98 (1996)


Article DOI: 10.1021/jm950541c
BindingDB Entry DOI: 10.7270/Q2TX3DGR
More data for this
Ligand-Target Pair