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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin B' and Ligand = 'BDBM50053834'   
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))
BDBM50053834
PNG
(CHEMBL413308 | [1-(1-Benzyl-2-{2-hydroxy-2-[3-(3-t...)
Show SMILES CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCC(O)c1cccc(Oc2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C39H40F3N3O7/c1-25(2)19-33(45-38(50)51-24-27-13-7-4-8-14-27)36(48)44-32(20-26-11-5-3-6-12-26)35(47)37(49)43-23-34(46)28-15-9-17-30(21-28)52-31-18-10-16-29(22-31)39(40,41)42/h3-18,21-22,25,32-34,46H,19-20,23-24H2,1-2H3,(H,43,49)(H,44,48)(H,45,50)
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.120n/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