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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 = 'BDBM22079'   
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)
BDBM22079
PNG
(6-(benzylamino)-9-(3-hydroxypropyl)-9H-purine-2-ca...)
Show SMILES OCCCn1cnc2c(NCc3ccccc3)nc(nc12)C#N
Show InChI InChI=1S/C16H16N6O/c17-9-13-20-15(18-10-12-5-2-1-3-6-12)14-16(21-13)22(11-19-14)7-4-8-23/h1-3,5-6,11,23H,4,7-8,10H2,(H,18,20,21)
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.20E+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