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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin B' and Ligand = 'BDBM50053820'   
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))
BDBM50053820
PNG
((1-{1-[2-(4-Dimethylamino-phenyl)-2-hydroxy-ethyla...)
Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC(O)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C29H40N4O6/c1-6-23(26(35)28(37)30-17-25(34)21-12-14-22(15-13-21)33(4)5)31-27(36)24(16-19(2)3)32-29(38)39-18-20-10-8-7-9-11-20/h7-15,19,23-25,34H,6,16-18H2,1-5H3,(H,30,37)(H,31,36)(H,32,38)
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PC cid
PC sid
UniChem
Article
PubMed
0.0720n/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