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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin B' and Ligand = 'BDBM50217331'   
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))		BDBM50217331
PNG
(TOKARAMIDE A)
Show SMILES [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-c1ccc(-[#8])cc1)-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O
Show InChI InChI=1S/C23H36N6O5/c1-13(2)18(21(33)27-16(12-30)6-5-11-26-23(24)25)29-22(34)19(14(3)4)28-20(32)15-7-9-17(31)10-8-15/h7-10,12-14,16,18-19,31H,5-6,11H2,1-4H3,(H,27,33)(H,28,32)(H,29,34)(H4,24,25,26)/t16-,18-,19-/m0/s1
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Similars
PubMed
n/an/a 60.9n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibitory activity against Cathepsin B was determined

Bioorg Med Chem Lett 9: 3397-402 (1999)


BindingDB Entry DOI: 10.7270/Q2G44SGN
More data for this
Ligand-Target Pair