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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 = 'BDBM50474794'   
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))
BDBM50474794
PNG
(CHEMBL66539)
Show SMILES O=S(=O)(Nc1ccc2[nH]c(Cc3ccc(Oc4ccccc4)cc3)nc2c1)c1ccccc1
Show InChI InChI=1S/C26H21N3O3S/c30-33(31,23-9-5-2-6-10-23)29-20-13-16-24-25(18-20)28-26(27-24)17-19-11-14-22(15-12-19)32-21-7-3-1-4-8-21/h1-16,18,29H,17H2,(H,27,28)
PDB
MMDB

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PC cid
PC sid
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Article
PubMed
17n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for in vitro inhibition of [3H][(E)-N-(2-methoxybenzyl)cinnamamidine binding to human NR1a/NR2B receptors expressed in LtK-cel...


J Med Chem 47: 2089-96 (2004)


Article DOI: 10.1021/jm030483s
BindingDB Entry DOI: 10.7270/Q2348P41
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B


(Homo sapiens (Human))
BDBM50474794
PNG
(CHEMBL66539)
Show SMILES O=S(=O)(Nc1ccc2[nH]c(Cc3ccc(Oc4ccccc4)cc3)nc2c1)c1ccccc1
Show InChI InChI=1S/C26H21N3O3S/c30-33(31,23-9-5-2-6-10-23)29-20-13-16-24-25(18-20)28-26(27-24)17-19-11-14-22(15-12-19)32-21-7-3-1-4-8-21/h1-16,18,29H,17H2,(H,27,28)
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 49n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Glu/Gly stimulated [Ca2+] influx in LtK-cells expressing the hNR1a/NR2B receptor


J Med Chem 47: 2089-96 (2004)


Article DOI: 10.1021/jm030483s
BindingDB Entry DOI: 10.7270/Q2348P41
More data for this
Ligand-Target Pair