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BDBM22102 6-{[(3,4-dichlorophenyl)methyl]amino}-9-(3,3-dimethoxypropyl)-9H-purine-2-carbonitrile::Compound 3{12,7}

SMILES: COC(CCn1cnc2c(NCc3ccc(Cl)c(Cl)c3)nc(nc12)C#N)OC

InChI Key: InChIKey=OQXFJGHHNAQMAE-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 22102   
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)
BDBM22102
PNG
(6-{[(3,4-dichlorophenyl)methyl]amino}-9-(3,3-dimet...)
Show SMILES COC(CCn1cnc2c(NCc3ccc(Cl)c(Cl)c3)nc(nc12)C#N)OC
Show InChI InChI=1S/C18H18Cl2N6O2/c1-27-15(28-2)5-6-26-10-23-16-17(24-14(8-21)25-18(16)26)22-9-11-3-4-12(19)13(20)7-11/h3-4,7,10,15H,5-6,9H2,1-2H3,(H,22,24,25)
PDB
MMDB

KEGG

B.MOAD
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.40E+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