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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50065759'   
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 A2a


(Rattus norvegicus (rat))		BDBM50065759
PNG
(CHEMBL318501 | [6-(9-Chloro-2-furan-2-yl-[1,2,4]tr...)
Show SMILES CC(C)(C)OC(=O)NCCCCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C25H29ClN6O4/c1-25(2,3)36-24(34)27-13-7-5-4-6-10-20(33)29-23-28-18-12-11-16(26)15-17(18)22-30-21(31-32(22)23)19-9-8-14-35-19/h8-9,11-12,14-15H,4-7,10,13H2,1-3H3,(H,27,34)(H,28,29,33)
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Similars
Article
PubMed
 11.1n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity was determined in radioligand binding assay at rat striatal Adenosine A2A receptor vs [3H]-CGS- 21680

J Med Chem 41: 2835-45 (1998)


Article DOI: 10.1021/jm980094b
BindingDB Entry DOI: 10.7270/Q25Q4V7D
More data for this
Ligand-Target Pair