BDBM50034878 CHEMBL48461::N-(2-Hexylamino-9-methyl-9H-purin-6-yl)-3-iodo-benzamide

SMILES CCCCCCNc1nc(NC(=O)c2cccc(I)c2)c2ncn(C)c2n1

InChI Key InChIKey=QVBLSMSYJSOAOR-UHFFFAOYSA-N

Data  3 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50034878   

TargetAdenosine receptor A1(Rat)
National Institute of Diabetes

Curated by ChEMBL
LigandPNGBDBM50034878(N-(2-Hexylamino-9-methyl-9H-purin-6-yl)-3-iodo-ben...)
Affinity DataKi:  4.48E+3nMAssay Description:Binding affinity against adenosine A1 receptor from rat brain.More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/29/2012
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Rat)
National Institute of Diabetes

Curated by ChEMBL
LigandPNGBDBM50034878(N-(2-Hexylamino-9-methyl-9H-purin-6-yl)-3-iodo-ben...)
Affinity DataKi:  1.10E+4nMAssay Description:Binding affinity against adenosine A2A receptor from rat brain.More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/29/2012
Entry Details Article
PubMed
TargetAdenosine receptor A3(Rat)
National Institute of Diabetes

Curated by ChEMBL
LigandPNGBDBM50034878(N-(2-Hexylamino-9-methyl-9H-purin-6-yl)-3-iodo-ben...)
Affinity DataKi:  1.90E+4nMAssay Description:Binding affinity against adenosine A3 receptor from rat brain.More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/29/2012
Entry Details Article
PubMed