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BDBM50030386 (1S)-1-methyl-16-azatetracyclo[7.6.1.0^{2,7}.0^{10,15}]hexadeca-2(7),3,5,10,12,14-hexaene; (2Z)-but-2-enedioate::1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10(15),11,13-hexaene maleate((+)-MK801)

SMILES: C[C@]12N[C@H](Cc3ccccc13)c1ccccc21

InChI Key: InChIKey=LBOJYSIDWZQNJS-CVEARBPZSA-N

Data: 1 KI

PDB links: 2 PDB IDs match this monomer.

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50030386   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50030386
PNG
((1S)-1-methyl-16-azatetracyclo[7.6.1.0^{2,7}.0^{10...)
Show SMILES C[C@]12N[C@H](Cc3ccccc13)c1ccccc21
Show InChI InChI=1S/C16H15N/c1-16-13-8-4-2-6-11(13)10-15(17-16)12-7-3-5-9-14(12)16/h2-9,15,17H,10H2,1H3/t15-,16+/m1/s1
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PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Displacement of [3H]Ifenprodil from NMDAR-2B in Sprague-Dawley rat frontal cortex homogenates after 2 hrs by liquid scintillation counting


J Med Chem 55: 9708-21 (2012)


Article DOI: 10.1021/jm3009458
BindingDB Entry DOI: 10.7270/Q2VQ33TR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)