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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a/A2b' and Ligand = 'BDBM50004579'   
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/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50004579
PNG
(1,3-Dibutyl-8-cyclopentyl-3,7-dihydro-purine-2,6-d...)
Show SMILES CCCCn1c2nc([nH]c2c(=O)n(CCCC)c1=O)C1CCCC1
Show InChI InChI=1S/C18H28N4O2/c1-3-5-11-21-16-14(17(23)22(18(21)24)12-6-4-2)19-15(20-16)13-9-7-8-10-13/h13H,3-12H2,1-2H3,(H,19,20)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
PubMed
 170n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2 receptor in rat striatal membranes using N-[3H]-ethyladenosin-5''-uronamide as radioligand in the presence of 5...

J Med Chem 35: 3066-75 (1992)


BindingDB Entry DOI: 10.7270/Q2DN45PF
More data for this
Ligand-Target Pair