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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 = 'BDBM22088'   
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)
BDBM22088
PNG
(6-{[(4-chlorophenyl)methyl]amino}-9-(4-hydroxybuty...)
Show SMILES OCCCCn1cnc2c(NCc3ccc(Cl)cc3)nc(nc12)C#N
Show InChI InChI=1S/C17H17ClN6O/c18-13-5-3-12(4-6-13)10-20-16-15-17(23-14(9-19)22-16)24(11-21-15)7-1-2-8-25/h3-6,11,25H,1-2,7-8,10H2,(H,20,22,23)
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.80E+3n/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