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BDBM22061 9-cyclopentyl-6-{[(3-methylphenyl)methyl]amino}-9H-purine-2-carbonitrile::Compound 3{7,13}

SMILES: Cc1cccc(CNc2nc(nc3n(cnc23)C2CCCC2)C#N)c1

InChI Key: InChIKey=SYHDEJTZCFKEDF-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 22061   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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)
BDBM22061
PNG
(9-cyclopentyl-6-{[(3-methylphenyl)methyl]amino}-9H...)
Show SMILES Cc1cccc(CNc2nc(nc3n(cnc23)C2CCCC2)C#N)c1
Show InChI InChI=1S/C19H20N6/c1-13-5-4-6-14(9-13)11-21-18-17-19(24-16(10-20)23-18)25(12-22-17)15-7-2-3-8-15/h4-6,9,12,15H,2-3,7-8,11H2,1H3,(H,21,23,24)
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.50E+4n/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