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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 = 'BDBM22089'   
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)
BDBM22089
PNG
(6-{[(4-chlorophenyl)methyl]amino}-9-[(4-methoxyphe...)
Show SMILES COc1ccc(Cn2cnc3c(NCc4ccc(Cl)cc4)nc(nc23)C#N)cc1
Show InChI InChI=1S/C21H17ClN6O/c1-29-17-8-4-15(5-9-17)12-28-13-25-19-20(26-18(10-23)27-21(19)28)24-11-14-2-6-16(22)7-3-14/h2-9,13H,11-12H2,1H3,(H,24,26,27)
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.30E+4n/an/an/an/an/a25



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