BDBM174266 US9688669, Example 97

SMILES Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CC1CC(F)(F)C1

InChI Key InChIKey=HEPAVXXAIMHNFB-UHFFFAOYSA-N

Data  1 KI  2 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 174266   

TargetIsoform 1 of Metabotropic glutamate receptor 5 (5a)(Human)
Bristol-Myers Squibb

US Patent
LigandPNGBDBM174266(US9688669, Example 97)
Affinity DataEC50:  31nMAssay Description:HEK293 (ZF) cells stably transfected with human mGluR5A (pIRES neo) and the rat glutamate-aspartate transporter (GLAST; pIRES puro) are grown in a mo...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/19/2018
Entry Details
US Patent

TargetMetabotropic glutamate receptor 5(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM174266(US9688669, Example 97)
Affinity DataEC50:  31nMAssay Description:Positive allosteric modulation activity at human mGluR5A expressed in HEK293(ZF) cells co-expressing rat glutamate-aspartate transporter assessed as ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2018
Entry Details Article
PubMed
TargetMetabotropic glutamate receptor 5(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM174266(US9688669, Example 97)
Affinity DataKi:  64nMAssay Description:Displacement of [3H]MPEPy from human mGluR5 expressed in cell membranes after 60 mins by liquid scintillation counting methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2018
Entry Details Article
PubMed