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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Glutamate receptor ionotropic, NMDA 1/2B' and Ligand = 'BDBM50498441'   
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 1/2B


(Homo sapiens (Human))
BDBM50498441
PNG
(CHEMBL3594117)
Show SMILES c1ccncc1.[H][C@]12CC[C@@]3([H])[C@@]([H])(CC[C@]4([H])C[C@@H](CC[C@]34C)OS(O)(=O)=O)[C@]1([H])CC[C@@H]2C |r|
Show InChI InChI=1S/C19H32O4S.C5H5N/c1-12-3-5-16-15(12)7-8-18-17(16)6-4-13-11-14(23-24(20,21)22)9-10-19(13,18)2;1-2-4-6-5-3-1/h12-18H,3-11H2,1-2H3,(H,20,21,22);1-5H/t12-,13+,14+,15+,16+,17-,18-,19-;/m0./s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 700n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic v.v.i.

Curated by ChEMBL


Assay Description
Inhibition of recombinant GluN1/GluN2B receptor (unknown origin) expressed in HEK293 cells assessed as inhibition of glutamate-evoked current by whol...


J Med Chem 58: 5950-66 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00570
BindingDB Entry DOI: 10.7270/Q2959MKM
More data for this
Ligand-Target Pair