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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'GRIA2' and Ligand = 'BDBM50164380'   
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))
BDBM50164380
PNG
(CHEMBL3799878)
Show SMILES Cc1sc2nc(Cn3nc(cc3Cl)C(F)(F)F)cc(=O)n2c1[C@@H]1C[C@H]1C#N
Show InChI InChI=1S/C16H11ClF3N5OS/c1-7-14(10-2-8(10)5-21)25-13(26)3-9(22-15(25)27-7)6-24-12(17)4-11(23-24)16(18,19)20/h3-4,8,10H,2,6H2,1H3/t8-,10+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 702n/an/an/an/a



Pharmaron-Beijing Co. Ltd.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human GluA2 AMPAR flip isomer expressed in Dox-inducible cells measured every 5 mins by BD calcium indicator dye ba...


J Med Chem 59: 2760-79 (2016)


Article DOI: 10.1021/acs.jmedchem.5b02010
BindingDB Entry DOI: 10.7270/Q2N87CQW
More data for this
Ligand-Target Pair
GRIA2


(Homo sapiens (Human))
BDBM50164380
PNG
(CHEMBL3799878)
Show SMILES Cc1sc2nc(Cn3nc(cc3Cl)C(F)(F)F)cc(=O)n2c1[C@@H]1C[C@H]1C#N
Show InChI InChI=1S/C16H11ClF3N5OS/c1-7-14(10-2-8(10)5-21)25-13(26)3-9(22-15(25)27-7)6-24-12(17)4-11(23-24)16(18,19)20/h3-4,8,10H,2,6H2,1H3/t8-,10+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 700n/an/an/an/a



Genentech, Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human GluA2 receptor flip isoform assessed as increase in glutamate-induced calcium flux measured at time interval ...


ACS Med Chem Lett 8: 84-89 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00388
BindingDB Entry DOI: 10.7270/Q2VX0JH1
More data for this
Ligand-Target Pair
GRIA2


(Homo sapiens (Human))
BDBM50164380
PNG
(CHEMBL3799878)
Show SMILES Cc1sc2nc(Cn3nc(cc3Cl)C(F)(F)F)cc(=O)n2c1[C@@H]1C[C@H]1C#N
Show InChI InChI=1S/C16H11ClF3N5OS/c1-7-14(10-2-8(10)5-21)25-13(26)3-9(22-15(25)27-7)6-24-12(17)4-11(23-24)16(18,19)20/h3-4,8,10H,2,6H2,1H3/t8-,10+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 73n/an/an/an/a



Pharmaron-Beijing Co. Ltd.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human GluA2 AMPAR flop isomer expressed in Dox-inducible cells measured every 5 mins by BD calcium indicator dye ba...


J Med Chem 59: 2760-79 (2016)


Article DOI: 10.1021/acs.jmedchem.5b02010
BindingDB Entry DOI: 10.7270/Q2N87CQW
More data for this
Ligand-Target Pair