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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'GRIA1' and Ligand = 'BDBM50192229'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
GRIA1


(Homo sapiens (Human))
BDBM50192229
PNG
(3-Bicyclo[2.2.1]hept-5-en-2-yl-6-chloro-1,1-dioxo-...)
Show SMILES NS(=O)(=O)c1cc2c(NC(NS2(=O)=O)C2CC3CC2C=C3)cc1Cl
Show InChI InChI=1/C14H16ClN3O4S2/c15-10-5-11-13(6-12(10)23(16,19)20)24(21,22)18-14(17-11)9-4-7-1-2-8(9)3-7/h1-2,5-9,14,17-18H,3-4H2,(H2,16,19,20)
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PC sid
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Article
PubMed
n/an/an/an/a 2.00E+3n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Activity at recombinant GluA1 receptor flip isoform expressed in Xenopus oocytes co-expressing gamma2-TARP assessed as effect on 10 uM glutamate-indu...


Bioorg Med Chem 18: 1381-7 (2010)


Article DOI: 10.1016/j.bmc.2009.12.072
BindingDB Entry DOI: 10.7270/Q27W6CB2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
GRIA1


(Homo sapiens (Human))
BDBM50192229
PNG
(3-Bicyclo[2.2.1]hept-5-en-2-yl-6-chloro-1,1-dioxo-...)
Show SMILES NS(=O)(=O)c1cc2c(NC(NS2(=O)=O)C2CC3CC2C=C3)cc1Cl
Show InChI InChI=1/C14H16ClN3O4S2/c15-10-5-11-13(6-12(10)23(16,19)20)24(21,22)18-14(17-11)9-4-7-1-2-8(9)3-7/h1-2,5-9,14,17-18H,3-4H2,(H2,16,19,20)
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CHEBI
CHEMBL
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KEGG
PC cid
PC sid
PDB
UniChem

Patents

PDB
Article
PubMed
n/an/an/an/a 1.00E+3n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Agonist activity at recombinant GluA1 receptor flip isoform expressed in Xenopus oocytes


Bioorg Med Chem 18: 1381-7 (2010)


Article DOI: 10.1016/j.bmc.2009.12.072
BindingDB Entry DOI: 10.7270/Q27W6CB2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
GRIA1


(Homo sapiens (Human))
BDBM50192229
PNG
(3-Bicyclo[2.2.1]hept-5-en-2-yl-6-chloro-1,1-dioxo-...)
Show SMILES NS(=O)(=O)c1cc2c(NC(NS2(=O)=O)C2CC3CC2C=C3)cc1Cl
Show InChI InChI=1/C14H16ClN3O4S2/c15-10-5-11-13(6-12(10)23(16,19)20)24(21,22)18-14(17-11)9-4-7-1-2-8(9)3-7/h1-2,5-9,14,17-18H,3-4H2,(H2,16,19,20)
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CHEBI
CHEMBL
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KEGG
PC cid
PC sid
PDB
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PDB
Article
PubMed
n/an/an/an/a 1.98E+4n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Activity at human recombinant GluA1 receptor flip isoform expressed in HEK293 cells assessed as effect on glutamate-induced calcium flux by Fluo-4/AM...


Bioorg Med Chem 18: 1381-7 (2010)


Article DOI: 10.1016/j.bmc.2009.12.072
BindingDB Entry DOI: 10.7270/Q27W6CB2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
GRIA1


(Homo sapiens (Human))
BDBM50192229
PNG
(3-Bicyclo[2.2.1]hept-5-en-2-yl-6-chloro-1,1-dioxo-...)
Show SMILES NS(=O)(=O)c1cc2c(NC(NS2(=O)=O)C2CC3CC2C=C3)cc1Cl
Show InChI InChI=1/C14H16ClN3O4S2/c15-10-5-11-13(6-12(10)23(16,19)20)24(21,22)18-14(17-11)9-4-7-1-2-8(9)3-7/h1-2,5-9,14,17-18H,3-4H2,(H2,16,19,20)
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents

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



University of California

Curated by ChEMBL


Assay Description
Activity at recombinant GluA1 receptor flop isoform expressed in Xenopus oocytes co-expressing gamma2-TARP assessed as effect on 10 uM glutamate-indu...


Bioorg Med Chem 18: 1381-7 (2010)


Article DOI: 10.1016/j.bmc.2009.12.072
BindingDB Entry DOI: 10.7270/Q27W6CB2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)