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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Glutamate receptor ionotropic, NMDA 1/2B' and Ligand = 'BDBM50149689'   
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))
BDBM50149689
PNG
(2-(4-Benzyl-piperidin-1-yl)-2-oxo-N-(2-oxo-2,3-dih...)
Show SMILES O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)C(=O)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C21H22N4O3/c26-19(22-16-6-7-17-18(13-16)24-21(28)23-17)20(27)25-10-8-15(9-11-25)12-14-4-2-1-3-5-14/h1-7,13,15H,8-12H2,(H,22,26)(H2,23,24,28)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6n/an/an/an/an/an/a



Gedeon Richter Ltd

Curated by ChEMBL


Assay Description
Inhibition of NMDA-evoked increased intracellular [Ca2+] in cells expressing NR1/NR2B receptor


Bioorg Med Chem Lett 14: 3953-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.053
BindingDB Entry DOI: 10.7270/Q2FT8KG8
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B


(Homo sapiens (Human))
BDBM50149689
PNG
(2-(4-Benzyl-piperidin-1-yl)-2-oxo-N-(2-oxo-2,3-dih...)
Show SMILES O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)C(=O)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C21H22N4O3/c26-19(22-16-6-7-17-18(13-16)24-21(28)23-17)20(27)25-10-8-15(9-11-25)12-14-4-2-1-3-5-14/h1-7,13,15H,8-12H2,(H,22,26)(H2,23,24,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8n/an/an/an/an/an/a



I2BM

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro-256981 from recombinant NR1/NR2B receptor


Eur J Med Chem 46: 2295-309 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.013
BindingDB Entry DOI: 10.7270/Q2M32ZMN
More data for this
Ligand-Target Pair