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BDBM110145 (E)-8-(3-Chlorostyryl)-1,3-diethyl-7-methylxanthine (6a)

SMILES: CCn1c2nc(\C=C\c3cccc(Cl)c3)n(C)c2c(=O)n(CC)c1=O

InChI Key: InChIKey=JKACQRNPANNUPM-MDZDMXLPSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 110145   
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 Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM110145
PNG
((E)-8-(3-Chlorostyryl)-1,3-diethyl-7-methylxanthin...)
Show SMILES CCn1c2nc(\C=C\c3cccc(Cl)c3)n(C)c2c(=O)n(CC)c1=O
Show InChI InChI=1S/C18H19ClN4O2/c1-4-22-16-15(17(24)23(5-2)18(22)25)21(3)14(20-16)10-9-12-7-6-8-13(19)11-12/h6-11H,4-5H2,1-3H3/b10-9+
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
24.3n/an/an/an/an/an/an/an/a



North-West University, Private Bag X6001, Potchefstroom 2520, South Africa





Bioorg Chem 49: 49-58 (2013)


Article DOI: 10.1016/j.bioorg.2013.06.006
BindingDB Entry DOI: 10.7270/Q21V5CM2
More data for this
Ligand-Target Pair