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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50043211'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50043211
PNG
(8-(1-Benzyl-propyl)-1,3-dipropyl-3,9-dihydro-purin...)
Show SMILES CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)C(CC)Cc1ccccc1
Show InChI InChI=1S/C21H28N4O2/c1-4-12-24-19-17(20(26)25(13-5-2)21(24)27)22-18(23-19)16(6-3)14-15-10-8-7-9-11-15/h7-11,16H,4-6,12-14H2,1-3H3,(H,22,23)
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PubMed
 161n/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