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BDBM50335712 CHEMBL1650356::N-2,6-bis4-methoxyphenyl)pyrimidin-4-yl)propionamide

SMILES: CCC(=O)Nc1cc(nc(n1)-c1ccc(OC)cc1)-c1ccc(OC)cc1

InChI Key: InChIKey=BJUGBOOQTXGLKA-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50335712   
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))
BDBM50335712
PNG
(CHEMBL1650356 | N-2,6-bis4-methoxyphenyl)pyrimidin...)
Show SMILES CCC(=O)Nc1cc(nc(n1)-c1ccc(OC)cc1)-c1ccc(OC)cc1
Show InChI InChI=1S/C21H21N3O3/c1-4-20(25)23-19-13-18(14-5-9-16(26-2)10-6-14)22-21(24-19)15-7-11-17(27-3)12-8-15/h5-13H,4H2,1-3H3,(H,22,23,24,25)
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PC cid
PC sid
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Similars

Article
PubMed
3.60n/an/an/an/an/an/an/an/a



University of Santiago de Compostela

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in human HeLa cells by liquid scintillation counting


J Med Chem 54: 457-71 (2011)


Article DOI: 10.1021/jm100843z
BindingDB Entry DOI: 10.7270/Q28P60SK
More data for this
Ligand-Target Pair