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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin B' and Ligand = 'BDBM50095490'   
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


(Homo sapiens (Human))
BDBM50095490
PNG
(3-Benzyloxymethyl-pyrrolidine-1-carbonitrile | CHE...)
Show SMILES N#CN1CCC(COCc2ccccc2)C1
Show InChI InChI=1S/C13H16N2O/c14-11-15-7-6-13(8-15)10-16-9-12-4-2-1-3-5-12/h1-5,13H,6-10H2
PDB
MMDB

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PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity tested against Human Cathepsin B using Z-Phe-Arg-pNA as substrate


J Med Chem 44: 94-104 (2001)


BindingDB Entry DOI: 10.7270/Q2DV1J4R
More data for this
Ligand-Target Pair