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BDBM50190435 3-ethyl 5-propyl 2-ethyl-6-phenyl-4-propylpyridine-3,5-dicarboxylate::CHEMBL209048

SMILES: CCCOC(=O)c1c(CCC)c(C(=O)OCC)c(CC)nc1-c1ccccc1

InChI Key: InChIKey=FPELAQPSYPXRLS-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50190435   
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 receptor A3


(Homo sapiens (Human))
BDBM50190435
PNG
(3-ethyl 5-propyl 2-ethyl-6-phenyl-4-propylpyridine...)
Show SMILES CCCOC(=O)c1c(CCC)c(C(=O)OCC)c(CC)nc1-c1ccccc1
Show InChI InChI=1S/C23H29NO4/c1-5-12-17-19(22(25)27-8-4)18(7-3)24-21(16-13-10-9-11-14-16)20(17)23(26)28-15-6-2/h9-11,13-14H,5-8,12,15H2,1-4H3
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Similars

Article
PubMed
19n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 4085-97 (2006)


Article DOI: 10.1021/jm051112+
BindingDB Entry DOI: 10.7270/Q2KK9BC7
More data for this
Ligand-Target Pair