BDBM50585248 CHEMBL2338352

SMILES c1ccc(cc1)N2CCN(CC2)C3(CCOCC3)CNC(=O)c4cccnc4Sc5ccccc5

InChI Key InChIKey=XREFXUCWSYMIOG-UHFFFAOYSA-N

Data  1 KI  5 IC50

PDB links: 2 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50585248   

TargetP2X purinoceptor 7(Human)
Lundbeck Research Usa

Curated by ChEMBL
LigandPNGBDBM50585248(CHEMBL2338352)
Affinity DataIC50: 35nMAssay Description:Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced calcium-flux measured after 60 mins by F...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/7/2023
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetP2X purinoceptor 7(Rat)
Lundbeck Research Usa

Curated by ChEMBL
LigandPNGBDBM50585248(CHEMBL2338352)
Affinity DataIC50: 4.70nMAssay Description:Antagonist activity at rat P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced calcium-flux measured after 60 mins by FLI...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/7/2023
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetP2X purinoceptor 7(Mouse)
Lundbeck Research Usa

Curated by ChEMBL
LigandPNGBDBM50585248(CHEMBL2338352)
Affinity DataIC50: 0.650nMAssay Description:Antagonist activity at mouse P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced calcium-flux measured after 60 mins by F...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/7/2023
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetP2X purinoceptor 7(Human)
Lundbeck Research Usa

Curated by ChEMBL
LigandPNGBDBM50585248(CHEMBL2338352)
Affinity DataIC50: 16nMAssay Description:Antagonist activity at human P2X7R expressed in HEK293 cells assessed as reduction in YO-PRO-1 iodide dye uptake preincubated for 30 mins followed by...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetP2X purinoceptor 7(Human)
Lundbeck Research Usa

Curated by ChEMBL
LigandPNGBDBM50585248(CHEMBL2338352)
Affinity DataIC50: 30nMAssay Description:Antagonist activity at P2X7 receptor in human THP-1 cells assessed as inhibition of ATP-induced IL-1beta secretion pretreated with LPS for 3 hrs foll...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/19/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetP2X purinoceptor 7(Rat)
Lundbeck Research Usa

Curated by ChEMBL
LigandPNGBDBM50585248(CHEMBL2338352)
Affinity DataKi:  98nMAssay Description:Displacement of [3H]-A-804598 from rat P2X7 receptor expressed in HEK293 cell membrane by in vitro binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/7/2023
Entry Details Article
PubMedPDB3D3D Structure (crystal)