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PDB code 5H8S

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 2 hits Enzyme Inhibition Constant Data   
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

  (142/145 = 98%)
(Homo sapiens (Human))
BDBM50164449
PNG
(CHEMBL3797274)
Show SMILES CCN(Cc1cc(=O)n2nc(C)sc2n1)c1ccccc1
Show InChI InChI=1S/C15H16N4OS/c1-3-18(13-7-5-4-6-8-13)10-12-9-14(20)19-15(16-12)21-11(2)17-19/h4-9H,3,10H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/an/an/a 2.00E+3n/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
3D
3D Structure (crystal)
GRIA2

  (142/145 = 98%)
(Homo sapiens (Human))
BDBM50164449
PNG
(CHEMBL3797274)
Show SMILES CCN(Cc1cc(=O)n2nc(C)sc2n1)c1ccccc1
Show InChI InChI=1S/C15H16N4OS/c1-3-18(13-7-5-4-6-8-13)10-12-9-14(20)19-15(16-12)21-11(2)17-19/h4-9H,3,10H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/an/an/a 7.50E+3n/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
3D
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output