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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin B' and Ligand = 'BDBM50053798'   
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))
BDBM50053798
PNG
(CHEMBL421910 | {1-[1-(2-Hydroxy-2-naphthalen-2-yl-...)
Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC(O)c1ccc2ccccc2c1
Show InChI InChI=1S/C31H37N3O6/c1-4-25(28(36)30(38)32-18-27(35)24-15-14-22-12-8-9-13-23(22)17-24)33-29(37)26(16-20(2)3)34-31(39)40-19-21-10-6-5-7-11-21/h5-15,17,20,25-27,35H,4,16,18-19H2,1-3H3,(H,32,38)(H,33,37)(H,34,39)
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PC cid
PC sid
UniChem
Article
PubMed
0.0630n/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