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BDBM50335696 CHEMBL1650386::N-2,6-difuran-2-yl)pyrimidin-4-yl)butyramide

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

InChI Key: InChIKey=YOGREESMVPNNCJ-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 = 50335696   
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 A2a


(Homo sapiens (Human))
BDBM50335696
PNG
(CHEMBL1650386 | N-2,6-difuran-2-yl)pyrimidin-4-yl)...)
Show SMILES CCCC(=O)Nc1cc(nc(n1)-c1ccco1)-c1ccco1
Show InChI InChI=1S/C16H15N3O3/c1-2-5-15(20)18-14-10-11(12-6-3-8-21-12)17-16(19-14)13-7-4-9-22-13/h3-4,6-10H,2,5H2,1H3,(H,17,18,19,20)
PDB
MMDB

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UniProtKB/TrEMBL

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PC sid
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Article
PubMed
5.70n/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 A1


(Homo sapiens (Human))
BDBM50335696
PNG
(CHEMBL1650386 | N-2,6-difuran-2-yl)pyrimidin-4-yl)...)
Show SMILES CCCC(=O)Nc1cc(nc(n1)-c1ccco1)-c1ccco1
Show InChI InChI=1S/C16H15N3O3/c1-2-5-15(20)18-14-10-11(12-6-3-8-21-12)17-16(19-14)13-7-4-9-22-13/h3-4,6-10H,2,5H2,1H3,(H,17,18,19,20)
PDB

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Article
PubMed
7.80n/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
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50335696
PNG
(CHEMBL1650386 | N-2,6-difuran-2-yl)pyrimidin-4-yl)...)
Show SMILES CCCC(=O)Nc1cc(nc(n1)-c1ccco1)-c1ccco1
Show InChI InChI=1S/C16H15N3O3/c1-2-5-15(20)18-14-10-11(12-6-3-8-21-12)17-16(19-14)13-7-4-9-22-13/h3-4,6-10H,2,5H2,1H3,(H,17,18,19,20)
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Article
PubMed
9.90n/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 A2b


(Homo sapiens (Human))
BDBM50335696
PNG
(CHEMBL1650386 | N-2,6-difuran-2-yl)pyrimidin-4-yl)...)
Show SMILES CCCC(=O)Nc1cc(nc(n1)-c1ccco1)-c1ccco1
Show InChI InChI=1S/C16H15N3O3/c1-2-5-15(20)18-14-10-11(12-6-3-8-21-12)17-16(19-14)13-7-4-9-22-13/h3-4,6-10H,2,5H2,1H3,(H,17,18,19,20)
NCI pathway
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Article
PubMed
16.4n/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