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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin B' and Ligand = 'BDBM50053845'   
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))
BDBM50053845
PNG
((1-{1-[2-Hydroxy-2-(3-phenoxy-phenyl)-ethylaminoox...)
Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC(O)c1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C33H39N3O7/c1-4-27(35-31(39)28(18-22(2)3)36-33(41)42-21-23-12-7-5-8-13-23)30(38)32(40)34-20-29(37)24-14-11-17-26(19-24)43-25-15-9-6-10-16-25/h5-17,19,22,27-29,37H,4,18,20-21H2,1-3H3,(H,34,40)(H,35,39)(H,36,41)
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MMDB

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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