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BDBM22090 6-{[(4-chlorophenyl)methyl]amino}-9-{[3-(trifluoromethyl)phenyl]methyl}-9H-purine-2-carbonitrile::Compound 3{10,18}

SMILES: FC(F)(F)c1cccc(Cn2cnc3c(NCc4ccc(Cl)cc4)nc(nc23)C#N)c1

InChI Key: InChIKey=QTENGKOQSSJELW-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 22090   
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)
BDBM22090
PNG
(6-{[(4-chlorophenyl)methyl]amino}-9-{[3-(trifluoro...)
Show SMILES FC(F)(F)c1cccc(Cn2cnc3c(NCc4ccc(Cl)cc4)nc(nc23)C#N)c1
Show InChI InChI=1S/C21H14ClF3N6/c22-16-6-4-13(5-7-16)10-27-19-18-20(30-17(9-26)29-19)31(12-28-18)11-14-2-1-3-15(8-14)21(23,24)25/h1-8,12H,10-11H2,(H,27,29,30)
PDB
MMDB

KEGG

B.MOAD
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.50E+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