BDBM50593194 CHEMBL5184791::US20240166618, Compound 64

SMILES COc1cc(C#N)c(OC)cc1CCNCc1ccccc1O

InChI Key InChIKey=VWEDZTZAXHMZIL-UHFFFAOYSA-N

Data  2 KI  6 EC50

PDB links: 1 PDB ID matches this monomer.

  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 8 hits for monomerid = 50593194   

Target5-hydroxytryptamine receptor 2A(Human)
University of Copenhagen

Curated by ChEMBL
LigandPNGBDBM50593194(CHEMBL5184791 | US20240166618, Compound 64)
Affinity DataEC50:  2.80nMAssay Description:Agonist activity at human 5HT2A receptor transfected in HEK293T cells assessed as beta arrestin-2 recruitment measured for 2 hrs by luminescent assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
Target5-hydroxytryptamine receptor 2A(Human)
University of Copenhagen

Curated by ChEMBL
LigandPNGBDBM50593194(CHEMBL5184791 | US20240166618, Compound 64)
Affinity DataEC50:  8.60nMAssay Description:Agonist activity at human 5HT2A receptor transfected in HEK293T cells assessed as mini Galphaq recruitment measured for 2 hrs by luminescent assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
Target5-hydroxytryptamine receptor 2A(Human)
University of Copenhagen

Curated by ChEMBL
LigandPNGBDBM50593194(CHEMBL5184791 | US20240166618, Compound 64)
Affinity DataEC50:  38nMAssay Description:Agonist activity at human 5HT2A S159A mutant transfected in HEK293T cells assessed as beta arrestin-2 recruitment measured for 2 hrs by luminescent a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
Target5-hydroxytryptamine receptor 2A(Human)
University of Copenhagen

Curated by ChEMBL
LigandPNGBDBM50593194(CHEMBL5184791 | US20240166618, Compound 64)
Affinity DataEC50:  137nMAssay Description:Agonist activity at human 5HT2A S159A mutant transfected in HEK293T cells assessed as mini Galphaq recruitment measured for 2 hrs by luminescent assa...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
Target5-hydroxytryptamine receptor 2A(Human)
University of Copenhagen

Curated by ChEMBL
LigandPNGBDBM50593194(CHEMBL5184791 | US20240166618, Compound 64)
Affinity DataEC50:  1.90nMAssay Description:Agonist activity at 5-HT2AR (unknown origin) stably expressed in HEK293 cells measured after 1 hr by fluorescence based Ca2+/Fluo-4 assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/22/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
Target5-hydroxytryptamine receptor 2C(Human)
University of Copenhagen

Curated by ChEMBL
LigandPNGBDBM50593194(CHEMBL5184791 | US20240166618, Compound 64)
Affinity DataEC50:  170nMAssay Description:Agonist activity at 5-HT2CR (unknown origin) stably expressed in HEK293 cells measured after 1 hr by fluorescence based Ca2+/Fluo-4 assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/22/2024
Entry Details
PubMed
Target5-hydroxytryptamine receptor 2A(Human)
University of Copenhagen

Curated by ChEMBL
LigandPNGBDBM50593194(CHEMBL5184791 | US20240166618, Compound 64)
Affinity DataKi:  2.71nMAssay Description:5-HT2A Receptor Radioligand Binding. Affinity of the test compounds for the 5-HT2A receptor was determined in radioligand binding experiments with [3...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/26/2024
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
Target5-hydroxytryptamine receptor 2A(Human)
University of Copenhagen

Curated by ChEMBL
LigandPNGBDBM50593194(CHEMBL5184791 | US20240166618, Compound 64)
Affinity DataKi:  5.79nMAssay Description:5-HT2A Receptor Radioligand Binding. Affinity of the test compounds for the 5-HT2A receptor was determined in radioligand binding experiments with [3...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/26/2024
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)