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BDBM50335694 CHEMBL1650384::N-2,6-difuran-2-yl)pyrimidin-4-yl)acetamide

SMILES: CC(=O)Nc1cc(nc(n1)-c1ccco1)-c1ccco1

InChI Key: InChIKey=NZYYJYYUIUOBHV-UHFFFAOYSA-N

Data: 4 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50335694   
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))
BDBM50335694
PNG
(CHEMBL1650384 | N-2,6-difuran-2-yl)pyrimidin-4-yl)...)
Show SMILES CC(=O)Nc1cc(nc(n1)-c1ccco1)-c1ccco1
Show InChI InChI=1S/C14H11N3O3/c1-9(18)15-13-8-10(11-4-2-6-19-11)16-14(17-13)12-5-3-7-20-12/h2-8H,1H3,(H,15,16,17,18)
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PC sid
UniChem
Article
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3n/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
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50335694
PNG
(CHEMBL1650384 | N-2,6-difuran-2-yl)pyrimidin-4-yl)...)
Show SMILES CC(=O)Nc1cc(nc(n1)-c1ccco1)-c1ccco1
Show InChI InChI=1S/C14H11N3O3/c1-9(18)15-13-8-10(11-4-2-6-19-11)16-14(17-13)12-5-3-7-20-12/h2-8H,1H3,(H,15,16,17,18)
PDB
MMDB

NCI pathway
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Article
PubMed
8.10n/an/an/an/an/an/an/an/a



University of Santiago de Compostela

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM2413853 from human adenosine A2A 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
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50335694
PNG
(CHEMBL1650384 | N-2,6-difuran-2-yl)pyrimidin-4-yl)...)
Show SMILES CC(=O)Nc1cc(nc(n1)-c1ccco1)-c1ccco1
Show InChI InChI=1S/C14H11N3O3/c1-9(18)15-13-8-10(11-4-2-6-19-11)16-14(17-13)12-5-3-7-20-12/h2-8H,1H3,(H,15,16,17,18)
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12n/an/an/an/an/an/an/an/a



University of Santiago de Compostela

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 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
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50335694
PNG
(CHEMBL1650384 | N-2,6-difuran-2-yl)pyrimidin-4-yl)...)
Show SMILES CC(=O)Nc1cc(nc(n1)-c1ccco1)-c1ccco1
Show InChI InChI=1S/C14H11N3O3/c1-9(18)15-13-8-10(11-4-2-6-19-11)16-14(17-13)12-5-3-7-20-12/h2-8H,1H3,(H,15,16,17,18)
PDB

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Article
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40.7n/an/an/an/an/an/an/an/a



University of Santiago de Compostela

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO 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