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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin B' and Ligand = 'BDBM50053818'   
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))
BDBM50053818
PNG
((1-{1-[2-Hydroxy-2-(3-trifluoromethyl-phenyl)-ethy...)
Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC(O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C28H34F3N3O6/c1-4-21(24(36)26(38)32-15-23(35)19-11-8-12-20(14-19)28(29,30)31)33-25(37)22(13-17(2)3)34-27(39)40-16-18-9-6-5-7-10-18/h5-12,14,17,21-23,35H,4,13,15-16H2,1-3H3,(H,32,38)(H,33,37)(H,34,39)
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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