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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin B' and Ligand = 'BDBM50053869'   
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))
BDBM50053869
PNG
(CHEMBL133243 | {1-[1-(2-Hydroxy-2-phenyl-ethylamin...)
Show SMILES CCCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC(O)c1ccccc1
Show InChI InChI=1S/C28H37N3O6/c1-4-11-22(25(33)27(35)29-17-24(32)21-14-9-6-10-15-21)30-26(34)23(16-19(2)3)31-28(36)37-18-20-12-7-5-8-13-20/h5-10,12-15,19,22-24,32H,4,11,16-18H2,1-3H3,(H,29,35)(H,30,34)(H,31,36)
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PC cid
PC sid
UniChem
Article
PubMed
3.40n/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