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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin B' and Ligand = 'BDBM50042394'   
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))		BDBM50042394
PNG
(CHEMBL115757 | [1-(1-Isobutylaminooxalyl-propylcar...)
Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC(C)C
Show InChI InChI=1S/C23H35N3O5/c1-6-18(20(27)22(29)24-13-16(4)5)25-21(28)19(12-15(2)3)26-23(30)31-14-17-10-8-7-9-11-17/h7-11,15-16,18-19H,6,12-14H2,1-5H3,(H,24,29)(H,25,28)(H,26,30)
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Similars
PubMed
 4.00E+3n/an/an/an/an/an/a5.2n/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of alpha-keto esters towards cathepsin B at pH 5.2

J Med Chem 36: 3472-80 (1993)


BindingDB Entry DOI: 10.7270/Q2F76BK3
More data for this
Ligand-Target Pair