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BDBM50264623 (E,E)-8-[4-(3-Fluorophenyl)butadien-1-yl]caffeine::CHEMBL489391

SMILES: Cn1c(\C=C\C=C\c2cccc(F)c2)nc2n(C)c(=O)n(C)c(=O)c12

InChI Key: InChIKey=PAJAMQUTBUEFEH-HOZCHFDZSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50264623   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50264623
PNG
((E,E)-8-[4-(3-Fluorophenyl)butadien-1-yl]caffeine ...)
Show SMILES Cn1c(\C=C\C=C\c2cccc(F)c2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C18H17FN4O2/c1-21-14(10-5-4-7-12-8-6-9-13(19)11-12)20-16-15(21)17(24)23(3)18(25)22(16)2/h4-11H,1-3H3/b7-4+,10-5+
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
114n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from Sprague-Dawley rat adenosine A2A receptor by scintillation counting


Bioorg Med Chem 16: 8676-84 (2008)


Article DOI: 10.1016/j.bmc.2008.07.088
BindingDB Entry DOI: 10.7270/Q2Z0380R
More data for this
Ligand-Target Pair