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BDBM50008388 3-[2-(4-Amino-3-iodo-phenyl)-ethyl]-8-cyclopentyl-1-propyl-3,7-dihydro-purine-2,6-dione::CHEMBL334776

SMILES: CCCn1c(=O)n(CCc2ccc(N)c(I)c2)c2nc([nH]c2c1=O)C1CCCC1

InChI Key: InChIKey=AZWSEPNWIHTUNW-UHFFFAOYSA-N

Data: 1 KI

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50008388   
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
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50008388
PNG
(3-[2-(4-Amino-3-iodo-phenyl)-ethyl]-8-cyclopentyl-...)
Show SMILES CCCn1c(=O)n(CCc2ccc(N)c(I)c2)c2nc([nH]c2c1=O)C1CCCC1
Show InChI InChI=1S/C21H26IN5O2/c1-2-10-27-20(28)17-19(25-18(24-17)14-5-3-4-6-14)26(21(27)29)11-9-13-7-8-16(23)15(22)12-13/h7-8,12,14H,2-6,9-11,23H2,1H3,(H,24,25)
PDB

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PC cid
PC sid
UniChem

Patents


Similars

PubMed
0.230n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor using [3H]-CHA or [3H]PIA as radioligand


Citation and Details
More data for this
Ligand-Target Pair