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BDBM50149135 5-Butyl-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinazoline::CHEMBL122230

SMILES: CCCCc1nc2ccccc2c2nc(nn12)-c1ccco1

InChI Key: InChIKey=DUVJCJZWDVLQBK-UHFFFAOYSA-N

Data: 2 IC50

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 2 hits for monomerid = 50149135   
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))
BDBM50149135
PNG
(5-Butyl-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinazo...)
Show SMILES CCCCc1nc2ccccc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C17H16N4O/c1-2-3-10-15-18-13-8-5-4-7-12(13)17-19-16(20-21(15)17)14-9-6-11-22-14/h4-9,11H,2-3,10H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 120n/an/an/an/an/an/a



Otsuka Pharmaceutical Factory, Inc.

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor expressed in HEK-293 cells


Bioorg Med Chem Lett 14: 3775-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.099
BindingDB Entry DOI: 10.7270/Q21R6PZM
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50149135
PNG
(5-Butyl-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinazo...)
Show SMILES CCCCc1nc2ccccc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C17H16N4O/c1-2-3-10-15-18-13-8-5-4-7-12(13)17-19-16(20-21(15)17)14-9-6-11-22-14/h4-9,11H,2-3,10H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>650n/an/an/an/an/an/a



Otsuka Pharmaceutical Factory, Inc.

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-CGS- 21680 binding at human adenosine A2A receptor expressed in HEK-293 cells


Bioorg Med Chem Lett 14: 3775-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.099
BindingDB Entry DOI: 10.7270/Q21R6PZM
More data for this
Ligand-Target Pair