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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin B' and Ligand = 'BDBM50053848'   
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))
BDBM50053848
PNG
(CHEMBL337462 | Pyrazine-2-carboxylic acid [1-(1-et...)
Show SMILES CCNC(=O)C(=O)C(CC)NC(=O)C(CC(C)C)NC(=O)c1cnccn1
Show InChI InChI=1S/C18H27N5O4/c1-5-12(15(24)18(27)20-6-2)22-16(25)13(9-11(3)4)23-17(26)14-10-19-7-8-21-14/h7-8,10-13H,5-6,9H2,1-4H3,(H,20,27)(H,22,25)(H,23,26)
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MMDB

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PC cid
PC sid
UniChem
Article
PubMed
0.350n/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