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BDBM50254295 3-Benzyl-7-(2-furyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine::CHEMBL507426

SMILES: Nc1nc(-c2ccco2)c2nnn(Cc3ccccc3)c2n1

InChI Key: InChIKey=OSSDIBDBSUPBAU-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 = 50254295   
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))
BDBM50254295
PNG
(3-Benzyl-7-(2-furyl)-3H-[1,2,3]triazolo[4,5-d]pyri...)
Show SMILES Nc1nc(-c2ccco2)c2nnn(Cc3ccccc3)c2n1
Show InChI InChI=1S/C15H12N6O/c16-15-17-12(11-7-4-8-22-11)13-14(18-15)21(20-19-13)9-10-5-2-1-3-6-10/h1-8H,9H2,(H2,16,17,18)
PDB
MMDB

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Article
PubMed
1.90n/an/an/an/an/an/an/an/a



Vernalis R&D Ltd

Curated by ChEMBL


Assay Description
Displacement of radioligand from human recombinant adenosine A2A receptor at 21 degC after 90 mins by cell-based microplate scintillation counting


J Med Chem 52: 33-47 (2009)


Article DOI: 10.1021/jm800961g
BindingDB Entry DOI: 10.7270/Q2XG9R0B
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50254295
PNG
(3-Benzyl-7-(2-furyl)-3H-[1,2,3]triazolo[4,5-d]pyri...)
Show SMILES Nc1nc(-c2ccco2)c2nnn(Cc3ccccc3)c2n1
Show InChI InChI=1S/C15H12N6O/c16-15-17-12(11-7-4-8-22-11)13-14(18-15)21(20-19-13)9-10-5-2-1-3-6-10/h1-8H,9H2,(H2,16,17,18)
PDB

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Article
PubMed
83n/an/an/an/an/an/an/an/a



Vernalis R&D Ltd

Curated by ChEMBL


Assay Description
Displacement of radioligand from human recombinant adenosine A1 receptor at 21 degC after 90 mins by cell-based microplate scintillation counting


J Med Chem 52: 33-47 (2009)


Article DOI: 10.1021/jm800961g
BindingDB Entry DOI: 10.7270/Q2XG9R0B
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50254295
PNG
(3-Benzyl-7-(2-furyl)-3H-[1,2,3]triazolo[4,5-d]pyri...)
Show SMILES Nc1nc(-c2ccco2)c2nnn(Cc3ccccc3)c2n1
Show InChI InChI=1S/C15H12N6O/c16-15-17-12(11-7-4-8-22-11)13-14(18-15)21(20-19-13)9-10-5-2-1-3-6-10/h1-8H,9H2,(H2,16,17,18)
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Article
PubMed
122n/an/an/an/an/an/an/an/a



Vernalis R&D Ltd

Curated by ChEMBL


Assay Description
Displacement of radioligand from human recombinant adenosine A2B receptor at 21 degC after 60 mins by cell-based microplate scintillation counting


J Med Chem 52: 33-47 (2009)


Article DOI: 10.1021/jm800961g
BindingDB Entry DOI: 10.7270/Q2XG9R0B
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50254295
PNG
(3-Benzyl-7-(2-furyl)-3H-[1,2,3]triazolo[4,5-d]pyri...)
Show SMILES Nc1nc(-c2ccco2)c2nnn(Cc3ccccc3)c2n1
Show InChI InChI=1S/C15H12N6O/c16-15-17-12(11-7-4-8-22-11)13-14(18-15)21(20-19-13)9-10-5-2-1-3-6-10/h1-8H,9H2,(H2,16,17,18)
Reactome pathway
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PC sid
UniChem

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Article
PubMed
285n/an/an/an/an/an/an/an/a



Vernalis R&D Ltd

Curated by ChEMBL


Assay Description
Displacement of radioligand from human recombinant adenosine A3 receptor at 21 degC after 60 mins by cell-based microplate scintillation counting


J Med Chem 52: 33-47 (2009)


Article DOI: 10.1021/jm800961g
BindingDB Entry DOI: 10.7270/Q2XG9R0B
More data for this
Ligand-Target Pair