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BDBM50169307 2-Furan-2-yl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL174850

SMILES: Nc1nc(cc2nc(nn12)-c1ccco1)-c1ccccc1

InChI Key: InChIKey=NIZRJAQNDZMDLX-UHFFFAOYSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50169307   
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))
BDBM50169307
PNG
(2-Furan-2-yl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimi...)
Show SMILES Nc1nc(cc2nc(nn12)-c1ccco1)-c1ccccc1
Show InChI InChI=1S/C15H11N5O/c16-15-17-11(10-5-2-1-3-6-10)9-13-18-14(19-20(13)15)12-7-4-8-21-12/h1-9H,(H2,16,17)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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PC sid
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Similars

Article
PubMed
7n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity against human adenosine A2A receptor


Bioorg Med Chem Lett 21: 2497-501 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.045
BindingDB Entry DOI: 10.7270/Q21Z44Q5
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50169307
PNG
(2-Furan-2-yl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimi...)
Show SMILES Nc1nc(cc2nc(nn12)-c1ccco1)-c1ccccc1
Show InChI InChI=1S/C15H11N5O/c16-15-17-11(10-5-2-1-3-6-10)9-13-18-14(19-20(13)15)12-7-4-8-21-12/h1-9H,(H2,16,17)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
7n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-SCH-58,261 from A2A adenosine receptor in Rat


Bioorg Med Chem Lett 15: 3670-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.086
BindingDB Entry DOI: 10.7270/Q279446R
More data for this
Ligand-Target Pair