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BDBM50078530 4-Oxo-4,5-dihydro-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid ethyl ester::CHEMBL86164::ethyl 4-oxo-4,5-dihydro-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate

SMILES: CCOC(=O)c1nc2n(n1)c1ccccc1[nH]c2=O

InChI Key: InChIKey=PTTFPEJFOCLEGM-UHFFFAOYSA-N

Data: 3 KI  1 EC50

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 = 50078530   
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))
BDBM50078530
PNG
(4-Oxo-4,5-dihydro-[1,2,4]triazolo[1,5-a]quinoxalin...)
Show SMILES CCOC(=O)c1nc2n(n1)c1ccccc1[nH]c2=O
Show InChI InChI=1S/C12H10N4O3/c1-2-19-12(18)9-14-10-11(17)13-7-5-3-4-6-8(7)16(10)15-9/h3-6H,2H2,1H3,(H,13,17)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
70.8n/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
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50078530
PNG
(4-Oxo-4,5-dihydro-[1,2,4]triazolo[1,5-a]quinoxalin...)
Show SMILES CCOC(=O)c1nc2n(n1)c1ccccc1[nH]c2=O
Show InChI InChI=1S/C12H10N4O3/c1-2-19-12(18)9-14-10-11(17)13-7-5-3-4-6-8(7)16(10)15-9/h3-6H,2H2,1H3,(H,13,17)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.67E+4n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards N-methyl-D-aspartate glutamate receptor 1 in rat cortical membranes using [3H]-glycine as radioligand


J Med Chem 42: 2478-84 (1999)


Article DOI: 10.1021/jm981102r
BindingDB Entry DOI: 10.7270/Q20K27R0
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50078530
PNG
(4-Oxo-4,5-dihydro-[1,2,4]triazolo[1,5-a]quinoxalin...)
Show SMILES CCOC(=O)c1nc2n(n1)c1ccccc1[nH]c2=O
Show InChI InChI=1S/C12H10N4O3/c1-2-19-12(18)9-14-10-11(17)13-7-5-3-4-6-8(7)16(10)15-9/h3-6H,2H2,1H3,(H,13,17)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.67E+4n/an/an/an/an/an/an/an/a



Moscow State University

Curated by ChEMBL


Assay Description
Binding selectivity towards N-methyl-D-aspartate glutamate receptor 1 was determined by using [3H]- glycine/NMDA


J Med Chem 46: 4063-9 (2003)


Article DOI: 10.1021/jm030833a
BindingDB Entry DOI: 10.7270/Q2445KVC
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50078530
PNG
(4-Oxo-4,5-dihydro-[1,2,4]triazolo[1,5-a]quinoxalin...)
Show SMILES CCOC(=O)c1nc2n(n1)c1ccccc1[nH]c2=O
Show InChI InChI=1S/C12H10N4O3/c1-2-19-12(18)9-14-10-11(17)13-7-5-3-4-6-8(7)16(10)15-9/h3-6H,2H2,1H3,(H,13,17)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 6.90E+4n/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Functional antagonism at the N-methyl-D-aspartate glutamate receptor 1 was demonstrated by the ability to inhibit the binding of thechannel-blocking ...


J Med Chem 42: 2478-84 (1999)


Article DOI: 10.1021/jm981102r
BindingDB Entry DOI: 10.7270/Q20K27R0
More data for this
Ligand-Target Pair