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BDBM22072 9-butyl-6-[(2-phenylethyl)amino]-9H-purine-2-carbonitrile::Compound 3{13,12}

SMILES: CCCCn1cnc2c(NCCc3ccccc3)nc(nc12)C#N

InChI Key: InChIKey=ZEBCPVCHEGBUSK-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 22072   
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)
BDBM22072
PNG
(9-butyl-6-[(2-phenylethyl)amino]-9H-purine-2-carbo...)
Show SMILES CCCCn1cnc2c(NCCc3ccccc3)nc(nc12)C#N
Show InChI InChI=1S/C18H20N6/c1-2-3-11-24-13-21-16-17(22-15(12-19)23-18(16)24)20-10-9-14-7-5-4-6-8-14/h4-8,13H,2-3,9-11H2,1H3,(H,20,22,23)
PDB
MMDB

KEGG

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.60E+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