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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Glutamate receptor ionotropic, NMDA 1/2A' and Ligand = 'BDBM50164387'   
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
Glutamate receptor ionotropic, NMDA 1/2A


(Homo sapiens (Human))
BDBM50164387
PNG
(CHEMBL3797392)
Show SMILES CCNC(=O)c1c(C)sc2nc(Cn3ccc(n3)C(F)(F)F)cc(=O)n12
Show InChI InChI=1S/C15H14F3N5O2S/c1-3-19-13(25)12-8(2)26-14-20-9(6-11(24)23(12)14)7-22-5-4-10(21-22)15(16,17)18/h4-6H,3,7H2,1-2H3,(H,19,25)
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.70E+4n/an/an/an/a



Pharmaron-Beijing Co. Ltd.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of GluN1/GluN2A NMDAR (unknown origin) expressed in Dox-inducible cells measured every 5 mins by BD calcium indicator ...


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