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BDBM50043208 8-(1-Benzyl-butyl)-1,3-dipropyl-3,9-dihydro-purine-2,6-dione::CHEMBL336847

SMILES: CCCC(Cc1ccccc1)c1nc2c([nH]1)n(CCC)c(=O)n(CCC)c2=O

InChI Key: InChIKey=DBLPPSBEJYKOBD-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50043208   
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))		BDBM50043208
PNG
(8-(1-Benzyl-butyl)-1,3-dipropyl-3,9-dihydro-purine...)
Show SMILES CCCC(Cc1ccccc1)c1nc2c([nH]1)n(CCC)c(=O)n(CCC)c2=O
Show InChI InChI=1S/C22H30N4O2/c1-4-10-17(15-16-11-8-7-9-12-16)19-23-18-20(24-19)25(13-5-2)22(28)26(14-6-3)21(18)27/h7-9,11-12,17H,4-6,10,13-15H2,1-3H3,(H,23,24)
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PubMed
 73.8n/an/an/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards adenosine A1 receptor was determined using radioligand [3H]-CHA in whole rat brain membranes at 25 degree C

J Med Chem 36: 4015-20 (1994)


BindingDB Entry DOI: 10.7270/Q23T9G92
More data for this
Ligand-Target Pair