BindingDB logo
myBDB logout

BDBM50239041 6-(furan-2-yl)-9H-purin-2-amine::CHEMBL404447

SMILES: Nc1nc(-c2ccco2)c2[nH]cnc2n1

InChI Key: InChIKey=JZSMPSCWNAYWOI-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 = 50239041   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50239041
PNG
(6-(furan-2-yl)-9H-purin-2-amine | CHEMBL404447)
Show SMILES Nc1nc(-c2ccco2)c2[nH]cnc2n1
Show InChI InChI=1S/C9H7N5O/c10-9-13-6(5-2-1-3-15-5)7-8(14-9)12-4-11-7/h1-4H,(H3,10,11,12,13,14)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
261n/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 A2a


(Homo sapiens (Human))
BDBM50239041
PNG
(6-(furan-2-yl)-9H-purin-2-amine | CHEMBL404447)
Show SMILES Nc1nc(-c2ccco2)c2[nH]cnc2n1
Show InChI InChI=1S/C9H7N5O/c10-9-13-6(5-2-1-3-15-5)7-8(14-9)12-4-11-7/h1-4H,(H3,10,11,12,13,14)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
261n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Binding affinity at human adenosine A2A receptor


Bioorg Med Chem Lett 18: 2924-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.072
BindingDB Entry DOI: 10.7270/Q23779KZ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50239041
PNG
(6-(furan-2-yl)-9H-purin-2-amine | CHEMBL404447)
Show SMILES Nc1nc(-c2ccco2)c2[nH]cnc2n1
Show InChI InChI=1S/C9H7N5O/c10-9-13-6(5-2-1-3-15-5)7-8(14-9)12-4-11-7/h1-4H,(H3,10,11,12,13,14)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
4.95E+3n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Binding affinity at human adenosine A1 receptor


Bioorg Med Chem Lett 18: 2924-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.072
BindingDB Entry DOI: 10.7270/Q23779KZ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50239041
PNG
(6-(furan-2-yl)-9H-purin-2-amine | CHEMBL404447)
Show SMILES Nc1nc(-c2ccco2)c2[nH]cnc2n1
Show InChI InChI=1S/C9H7N5O/c10-9-13-6(5-2-1-3-15-5)7-8(14-9)12-4-11-7/h1-4H,(H3,10,11,12,13,14)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
4.95E+3n/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