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BDBM50048389 4-(8-Methyl-9H-1,3-dioxa-6,7-diaza-cyclohepta[f]inden-5-yl)-phenylamine::4-(8-Methyl-9H-1,3-dioxa-6,7-diaza-cyclohepta[f]inden-5-yl)-phenylamine (GYKI 52466)::CHEMBL275006::GYKI-52466

SMILES: CC1=NN=C(c2ccc(N)cc2)c2cc3OCOc3cc2C1

InChI Key: InChIKey=LFBZZHVSGAHQPP-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50048389   
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
Glutamate receptor AMPA 2/3


(Homo sapiens (Human))
BDBM50048389
PNG
(4-(8-Methyl-9H-1,3-dioxa-6,7-diaza-cyclohepta[f]in...)
Show SMILES CC1=NN=C(c2ccc(N)cc2)c2cc3OCOc3cc2C1 |t:1,3|
Show InChI InChI=1S/C17H15N3O2/c1-10-6-12-7-15-16(22-9-21-15)8-14(12)17(20-19-10)11-2-4-13(18)5-3-11/h2-5,7-8H,6,9,18H2,1H3
PDB

UniProtKB/SwissProt

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CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents

Article
PubMed
4.00E+3n/an/an/an/an/an/an/an/a



Department of Chemical, Biological, Pharmaceutical and Environmental Sciences, University of Messina, Viale Annunziata, 98168 Messina, Italy.

Curated by ChEMBL


Assay Description
Antagonist activity at closed state of GFP-tagged GluA2Qflip isoform (unknown origin) expressed in HEK293S cells assessed as reduction in glutamate-i...


Bioorg Med Chem 25: 3631-3637 (2017)


Article DOI: 10.1016/j.bmc.2017.05.036
BindingDB Entry DOI: 10.7270/Q2TF00T9
More data for this
Ligand-Target Pair
Glutamate receptor AMPA 2/3


(Homo sapiens (Human))
BDBM50048389
PNG
(4-(8-Methyl-9H-1,3-dioxa-6,7-diaza-cyclohepta[f]in...)
Show SMILES CC1=NN=C(c2ccc(N)cc2)c2cc3OCOc3cc2C1 |t:1,3|
Show InChI InChI=1S/C17H15N3O2/c1-10-6-12-7-15-16(22-9-21-15)8-14(12)17(20-19-10)11-2-4-13(18)5-3-11/h2-5,7-8H,6,9,18H2,1H3
PDB

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antibodypedia
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CHEMBL
KEGG
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PC sid
UniChem

Patents

Article
PubMed
5.00E+3n/an/an/an/an/an/an/an/a



Department of Chemical, Biological, Pharmaceutical and Environmental Sciences, University of Messina, Viale Annunziata, 98168 Messina, Italy.

Curated by ChEMBL


Assay Description
Antagonist activity at open state of GFP-tagged GluA2Qflip isoform (unknown origin) expressed in HEK293S cells assessed as reduction in glutamate-ind...


Bioorg Med Chem 25: 3631-3637 (2017)


Article DOI: 10.1016/j.bmc.2017.05.036
BindingDB Entry DOI: 10.7270/Q2TF00T9
More data for this
Ligand-Target Pair
GRIA3


(RAT)
BDBM50048389
PNG
(4-(8-Methyl-9H-1,3-dioxa-6,7-diaza-cyclohepta[f]in...)
Show SMILES CC1=NN=C(c2ccc(N)cc2)c2cc3OCOc3cc2C1 |t:1,3|
Show InChI InChI=1S/C17H15N3O2/c1-10-6-12-7-15-16(22-9-21-15)8-14(12)17(20-19-10)11-2-4-13(18)5-3-11/h2-5,7-8H,6,9,18H2,1H3
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KEGG
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Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by PDSP Ki Database




Mol Pharmacol 58: 1310-7 (2000)


Article DOI: 10.1124/mol.58.6.1310
BindingDB Entry DOI: 10.7270/Q24X56B1
More data for this
Ligand-Target Pair
GRIA3


(Homo sapiens (Human))
BDBM50048389
PNG
(4-(8-Methyl-9H-1,3-dioxa-6,7-diaza-cyclohepta[f]in...)
Show SMILES CC1=NN=C(c2ccc(N)cc2)c2cc3OCOc3cc2C1 |t:1,3|
Show InChI InChI=1S/C17H15N3O2/c1-10-6-12-7-15-16(22-9-21-15)8-14(12)17(20-19-10)11-2-4-13(18)5-3-11/h2-5,7-8H,6,9,18H2,1H3
PDB
MMDB

Reactome pathway
KEGG

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



SIBIA Neurosciences, Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 285: 358-70 (1998)


BindingDB Entry DOI: 10.7270/Q23R0RDM
More data for this
Ligand-Target Pair
GRIA3


(Homo sapiens (Human))
BDBM50048389
PNG
(4-(8-Methyl-9H-1,3-dioxa-6,7-diaza-cyclohepta[f]in...)
Show SMILES CC1=NN=C(c2ccc(N)cc2)c2cc3OCOc3cc2C1 |t:1,3|
Show InChI InChI=1S/C17H15N3O2/c1-10-6-12-7-15-16(22-9-21-15)8-14(12)17(20-19-10)11-2-4-13(18)5-3-11/h2-5,7-8H,6,9,18H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents

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



SIBIA Neurosciences, Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 285: 358-70 (1998)


BindingDB Entry DOI: 10.7270/Q23R0RDM
More data for this
Ligand-Target Pair
GRIA3


(RAT)
BDBM50048389
PNG
(4-(8-Methyl-9H-1,3-dioxa-6,7-diaza-cyclohepta[f]in...)
Show SMILES CC1=NN=C(c2ccc(N)cc2)c2cc3OCOc3cc2C1 |t:1,3|
Show InChI InChI=1S/C17H15N3O2/c1-10-6-12-7-15-16(22-9-21-15)8-14(12)17(20-19-10)11-2-4-13(18)5-3-11/h2-5,7-8H,6,9,18H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents

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



SIBIA Neurosciences, Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 285: 358-70 (1998)


BindingDB Entry DOI: 10.7270/Q23R0RDM
More data for this
Ligand-Target Pair