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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'GRIA2' and Ligand = 'BDBM50192221'   
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))
BDBM50192221
PNG
(3-(4-tert-butylphenyl)-4-cyano-5-(trifluoromethyl)...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1c(sc(c1C#N)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C17H14F3NO2S/c1-16(2,3)10-6-4-9(5-7-10)12-11(8-21)14(17(18,19)20)24-13(12)15(22)23/h4-7H,1-3H3,(H,22,23)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 231n/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
GRIA2


(Homo sapiens (Human))
BDBM50192221
PNG
(3-(4-tert-butylphenyl)-4-cyano-5-(trifluoromethyl)...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1c(sc(c1C#N)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C17H14F3NO2S/c1-16(2,3)10-6-4-9(5-7-10)12-11(8-21)14(17(18,19)20)24-13(12)15(22)23/h4-7H,1-3H3,(H,22,23)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 78n/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