BDBM50405516 FMI::MIN-101 FREE BASE::ROLUPERIDONE::Roluperidone

SMILES c1ccc2c(c1)CN(C2=O)CC3CCN(CC3)CC(=O)c4ccc(cc4)F

InChI Key InChIKey=RNRYULFRLCBRQS-UHFFFAOYSA-N

Data  4 KI

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50405516   

Target5-hydroxytryptamine receptor 2A(Human)
Welab Barcelona

Curated by ChEMBL
LigandPNGBDBM50405516(ROLUPERIDONE | Roluperidone | FMI | MIN-101 FREE B...)
Affinity DataKi:  7.5nMAssay Description:Binding affinity to 5-HT2A receptor (unknown origin) assessed as inhibition constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/14/2024
Entry Details
PubMed
Target5-hydroxytryptamine receptor 1A(Human)
University of Catania

Curated by ChEMBL
LigandPNGBDBM50405516(ROLUPERIDONE | Roluperidone | FMI | MIN-101 FREE B...)
Affinity DataKi:  7.5nMAssay Description:Binding affinity to 5-HT1A receptor (unknown origin) by Tango assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/18/2024
Entry Details
PubMed
TargetSigma intracellular receptor 2(Human)
University of Catania

Curated by ChEMBL
LigandPNGBDBM50405516(ROLUPERIDONE | Roluperidone | FMI | MIN-101 FREE B...)
Affinity DataKi:  8.20nMAssay Description:Displacement of [H3]DTG from sigma 2 receptor (unknown origin) by competition binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/18/2024
Entry Details
PubMed
TargetSigma intracellular receptor 2(Human)
University of Catania

Curated by ChEMBL
LigandPNGBDBM50405516(ROLUPERIDONE | Roluperidone | FMI | MIN-101 FREE B...)
Affinity DataKi:  8.20nMAssay Description:Binding affinity to sigma2 receptor (unknown origin) assessed as inhibition constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/14/2024
Entry Details
PubMed