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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin B' and Ligand = 'BDBM50249352'   
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))		BDBM50249352
PNG
(CHEMBL470520 | garciniaphenone)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6@H]1-[#6][C@@]2([#6]\[#6]=[#6](\[#6])-[#6])[#6](=O)-[#6](-[#6](=O)-c3ccccc3)-[#6](=O)-[#6@H](-[#6]2=O)C1([#6])[#6] |r,THB:28:27:15.13.24:6.29.5|
Show InChI InChI=1S/C28H34O4/c1-17(2)12-13-20-16-28(15-14-18(3)4)25(31)21(23(29)19-10-8-7-9-11-19)24(30)22(26(28)32)27(20,5)6/h7-12,14,20-22H,13,15-16H2,1-6H3/t20-,21?,22?,28-/m0/s1
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Similars
Article
PubMed
n/an/a 1.04E+5n/an/an/an/an/an/a



Federal University of Alfenas

Curated by ChEMBL


Assay Description
Inhibition of cathepsin B by spectrofluorimetry

Eur J Med Chem 44: 1230-9 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.018
BindingDB Entry DOI: 10.7270/Q26974HM
More data for this
Ligand-Target Pair