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BDBM50039951 2-(4-Methoxy-phenyl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one::2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]quinoxalin-4(5H)-one::CHEMBL99178

SMILES: COc1ccc(cc1)-c1nc2n(n1)c1ccccc1[nH]c2=O

InChI Key: InChIKey=XEUMLYQGKJKOCG-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50039951   
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))
BDBM50039951
PNG
(2-(4-Methoxy-phenyl)-5H-[1,2,4]triazolo[1,5-a]quin...)
Show SMILES COc1ccc(cc1)-c1nc2n(n1)c1ccccc1[nH]c2=O
Show InChI InChI=1S/C16H12N4O2/c1-22-11-8-6-10(7-9-11)14-18-15-16(21)17-12-4-2-3-5-13(12)20(15)19-14/h2-9H,1H3,(H,17,21)
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PC cid
PC sid
UniChem
Article
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2.10n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells


J Med Chem 48: 7932-45 (2005)


Article DOI: 10.1021/jm0504149
BindingDB Entry DOI: 10.7270/Q20V8CCR
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50039951
PNG
(2-(4-Methoxy-phenyl)-5H-[1,2,4]triazolo[1,5-a]quin...)
Show SMILES COc1ccc(cc1)-c1nc2n(n1)c1ccccc1[nH]c2=O
Show InChI InChI=1S/C16H12N4O2/c1-22-11-8-6-10(7-9-11)14-18-15-16(21)17-12-4-2-3-5-13(12)20(15)19-14/h2-9H,1H3,(H,17,21)
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2.10n/an/an/an/an/an/an/an/a



Dipartimento di Scienze Farmaceutiche

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A3 receptor


Bioorg Med Chem 18: 7890-9 (2010)


Article DOI: 10.1016/j.bmc.2010.09.043
BindingDB Entry DOI: 10.7270/Q2V12510
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50039951
PNG
(2-(4-Methoxy-phenyl)-5H-[1,2,4]triazolo[1,5-a]quin...)
Show SMILES COc1ccc(cc1)-c1nc2n(n1)c1ccccc1[nH]c2=O
Show InChI InChI=1S/C16H12N4O2/c1-22-11-8-6-10(7-9-11)14-18-15-16(21)17-12-4-2-3-5-13(12)20(15)19-14/h2-9H,1H3,(H,17,21)
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2.10n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [125I]I-AB-MECA from human recombinant adenosine A3 receptor expressed in CHO cells after 60 mins by gamma counter


J Med Chem 55: 5676-703 (2012)


Article DOI: 10.1021/jm300087j
BindingDB Entry DOI: 10.7270/Q25H7HDK
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50039951
PNG
(2-(4-Methoxy-phenyl)-5H-[1,2,4]triazolo[1,5-a]quin...)
Show SMILES COc1ccc(cc1)-c1nc2n(n1)c1ccccc1[nH]c2=O
Show InChI InChI=1S/C16H12N4O2/c1-22-11-8-6-10(7-9-11)14-18-15-16(21)17-12-4-2-3-5-13(12)20(15)19-14/h2-9H,1H3,(H,17,21)
PDB
MMDB

NCI pathway
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from human recombinant adenosine A2A receptor expressed in CHO cells after 60 mins by gamma counter


J Med Chem 55: 5676-703 (2012)


Article DOI: 10.1021/jm300087j
BindingDB Entry DOI: 10.7270/Q25H7HDK
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50039951
PNG
(2-(4-Methoxy-phenyl)-5H-[1,2,4]triazolo[1,5-a]quin...)
Show SMILES COc1ccc(cc1)-c1nc2n(n1)c1ccccc1[nH]c2=O
Show InChI InChI=1S/C16H12N4O2/c1-22-11-8-6-10(7-9-11)14-18-15-16(21)17-12-4-2-3-5-13(12)20(15)19-14/h2-9H,1H3,(H,17,21)
PDB

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PC cid
PC sid
UniChem
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells after 60 mins by gamma counter


J Med Chem 55: 5676-703 (2012)


Article DOI: 10.1021/jm300087j
BindingDB Entry DOI: 10.7270/Q25H7HDK
More data for this
Ligand-Target Pair