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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'GRIA2' and Ligand = 'BDBM50192216'   
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
GRIA2


(Homo sapiens (Human))
BDBM50192216
PNG
(3-(4-tert-butylphenyl)-4-cyano-5-ethylthiophene-2-...)
Show SMILES CCc1sc(C(O)=O)c(c1C#N)-c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C18H19NO2S/c1-5-14-13(10-19)15(16(22-14)17(20)21)11-6-8-12(9-7-11)18(2,3)4/h6-9H,5H2,1-4H3,(H,20,21)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 47n/an/an/an/a



Lilly S.A.

Curated by ChEMBL


Assay Description
Activity against human GLUR2 flip expressed in HEK293 cells assesed as glutamate-stimulated calcium influx by FLIPR assay


Bioorg Med Chem Lett 16: 5057-61 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.035
BindingDB Entry DOI: 10.7270/Q24749H7
More data for this
Ligand-Target Pair
GRIA2


(Homo sapiens (Human))
BDBM50192216
PNG
(3-(4-tert-butylphenyl)-4-cyano-5-ethylthiophene-2-...)
Show SMILES CCc1sc(C(O)=O)c(c1C#N)-c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C18H19NO2S/c1-5-14-13(10-19)15(16(22-14)17(20)21)11-6-8-12(9-7-11)18(2,3)4/h6-9H,5H2,1-4H3,(H,20,21)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 216n/an/an/an/a



Lilly S.A.

Curated by ChEMBL


Assay Description
Activity against human GLUR2 flop expressed in HEK293 cells assesed as glutamate-stimulated calcium influx by FLIPR assay


Bioorg Med Chem Lett 16: 5057-61 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.035
BindingDB Entry DOI: 10.7270/Q24749H7
More data for this
Ligand-Target Pair