BDBM571411 US11440922, Example 28::ethyl (4E)-4-{3-[3- (cyanomethyl)phenyl]prop- 2-yn-1-ylidene}-3,3- dimethylpiperidine-1- carboxylate

SMILES CCOC(=O)N1CC\C(=C/C#Cc2cccc(CC#N)c2)C(C)(C)C1

InChI Key InChIKey=MWXPVZFGTDVLJN-UHFFFAOYSA-N

Data  1 KI  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 571411   

TargetMetabotropic glutamate receptor 5(Human)
Recordati Industria Chimica E Farmacentica

US Patent
LigandPNGBDBM571411(ethyl (4E)-4-{3-[3- (cyanomethyl)phenyl]prop- 2-yn...)
Affinity DataIC50: 37.2nMAssay Description:Cells were seeded into black-walled, clear-bottom, 96-well plates at a density of 80000 cell/well, in RPMI (without Phenol Red, without L-glutamine; ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/19/2022
Entry Details
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TargetMetabotropic glutamate receptor 5(Human)
Recordati Industria Chimica E Farmacentica

US Patent
LigandPNGBDBM571411(ethyl (4E)-4-{3-[3- (cyanomethyl)phenyl]prop- 2-yn...)
Affinity DataKi:  2.12nMAssay Description:Affinity at transmembrane glutamate metabotropic cloned human mGluR5 receptor was evaluated according to the methods of Anderson (Anderson et al., J ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/19/2022
Entry Details
Go to US Patent