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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin B-Like Cysteine Protease (TbcatB)' and Ligand = 'BDBM22059'   
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-Like Cysteine Protease (TbcatB)


(Trypanosoma brucei)
BDBM22059
PNG
(9-cyclopentyl-6-{[(4-methoxyphenyl)methyl]amino}-9...)
Show SMILES COc1ccc(CNc2nc(nc3n(cnc23)C2CCCC2)C#N)cc1
Show InChI InChI=1S/C19H20N6O/c1-26-15-8-6-13(7-9-15)11-21-18-17-19(24-16(10-20)23-18)25(12-22-17)14-4-2-3-5-14/h6-9,12,14H,2-5,11H2,1H3,(H,21,23,24)
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.00E+3n/an/an/an/a5.522



University of California at San Francisco



Assay Description
Enzyme activity was assayed in a 96-well plate format. TbcatB was incubated with inhibitor compound at room temperature for 20 min before the additio...


J Med Chem 51: 545-52 (2008)


Article DOI: 10.1021/jm070760l
BindingDB Entry DOI: 10.7270/Q2V40SH0
More data for this
Ligand-Target Pair