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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin B' and Ligand = 'BDBM50053825'   
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))
BDBM50053825
PNG
((1-{1-[2-(3,4-Bis-benzyloxy-phenyl)-2-hydroxy-ethy...)
Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC(O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1
Show InChI InChI=1S/C41H47N3O8/c1-4-33(43-39(47)34(22-28(2)3)44-41(49)52-27-31-18-12-7-13-19-31)38(46)40(48)42-24-35(45)32-20-21-36(50-25-29-14-8-5-9-15-29)37(23-32)51-26-30-16-10-6-11-17-30/h5-21,23,28,33-35,45H,4,22,24-27H2,1-3H3,(H,42,48)(H,43,47)(H,44,49)
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.320n/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