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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'GRIA1' and Ligand = 'BDBM50184415'   
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))
BDBM50184415
PNG
(CHEMBL3823222)
Show SMILES CC(c1ccn(n1)-c1ccccn1)c1ccc2[nH]c(=O)sc2c1
Show InChI InChI=1S/C17H14N4OS/c1-11(12-5-6-14-15(10-12)23-17(22)19-14)13-7-9-21(20-13)16-4-2-3-8-18-16/h2-11H,1H3,(H,19,22)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 122n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human iGluA1 receptor flop isoform expressed in CHO-S cells coexpressing TARP gamma-8 and human EAAT3 assessed as inhibition o...


J Med Chem 59: 4753-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00125
BindingDB Entry DOI: 10.7270/Q2V69MJG
More data for this
Ligand-Target Pair
GRIA1


(Homo sapiens (Human))
BDBM50184415
PNG
(CHEMBL3823222)
Show SMILES CC(c1ccn(n1)-c1ccccn1)c1ccc2[nH]c(=O)sc2c1
Show InChI InChI=1S/C17H14N4OS/c1-11(12-5-6-14-15(10-12)23-17(22)19-14)13-7-9-21(20-13)16-4-2-3-8-18-16/h2-11H,1H3,(H,19,22)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.33E+4n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human iGluA1 receptor flop isoform expressed in CHO-S cells coexpressing TARP gamma-2 assessed as inhibition of glutamate-indu...


J Med Chem 59: 4753-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00125
BindingDB Entry DOI: 10.7270/Q2V69MJG
More data for this
Ligand-Target Pair
GRIA1


(Homo sapiens (Human))
BDBM50184415
PNG
(CHEMBL3823222)
Show SMILES CC(c1ccn(n1)-c1ccccn1)c1ccc2[nH]c(=O)sc2c1
Show InChI InChI=1S/C17H14N4OS/c1-11(12-5-6-14-15(10-12)23-17(22)19-14)13-7-9-21(20-13)16-4-2-3-8-18-16/h2-11H,1H3,(H,19,22)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.33E+4n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human iGluA1 receptor flip isoform expressed in CHO-S cells assessed as inhibition of glutamate-induced increase in intracellu...


J Med Chem 59: 4753-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00125
BindingDB Entry DOI: 10.7270/Q2V69MJG
More data for this
Ligand-Target Pair