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BDBM50149107 5-Butyl-2-p-tolyl-[1,2,4]triazolo[1,5-c]quinazoline::CHEMBL121890

SMILES: CCCCc1nc2ccccc2c2nc(nn12)-c1ccc(C)cc1

InChI Key: InChIKey=BGRNKQLWFCQHRE-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 = 50149107   
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))
BDBM50149107
PNG
(5-Butyl-2-p-tolyl-[1,2,4]triazolo[1,5-c]quinazolin...)
Show SMILES CCCCc1nc2ccccc2c2nc(nn12)-c1ccc(C)cc1
Show InChI InChI=1S/C20H20N4/c1-3-4-9-18-21-17-8-6-5-7-16(17)20-22-19(23-24(18)20)15-12-10-14(2)11-13-15/h5-8,10-13H,3-4,9H2,1-2H3
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GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 34n/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))
BDBM50149107
PNG
(5-Butyl-2-p-tolyl-[1,2,4]triazolo[1,5-c]quinazolin...)
Show SMILES CCCCc1nc2ccccc2c2nc(nn12)-c1ccc(C)cc1
Show InChI InChI=1S/C20H20N4/c1-3-4-9-18-21-17-8-6-5-7-16(17)20-22-19(23-24(18)20)15-12-10-14(2)11-13-15/h5-8,10-13H,3-4,9H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/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