BDBM50585930 CHEMBL3586771

SMILES CN(Cc1ccccc1)Cc2ccc(cc2)COc3ccc4c(c3)OC(=O)C=C4CO

InChI Key InChIKey=RTJRBYKZQSYWCM-UHFFFAOYSA-N

Data  5 IC50

PDB links: 2 PDB IDs match this monomer.

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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50585930   

TargetAmine oxidase [flavin-containing] B(Human)
University of Bari "Aldo Moro

Curated by ChEMBL
LigandPNGBDBM50585930(CHEMBL3586771)
Affinity DataIC50: 10nMAssay Description:Inhibition of human recombinant MAO-B expressed in supersomes assessed as inhibition of 4-hydroxyquinoline formation using kynuramine as substrate by...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/7/2023
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetAmine oxidase [flavin-containing] B(Human)
University of Bari "Aldo Moro

Curated by ChEMBL
LigandPNGBDBM50585930(CHEMBL3586771)
Affinity DataIC50: 10nMAssay Description:Inhibition of human recombinant MAO B expressed in baculovirus infected in BTI insect cells by spectrofluorimetric methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetAcetylcholinesterase(Human)
University of Bari "Aldo Moro

Curated by ChEMBL
LigandPNGBDBM50585930(CHEMBL3586771)
Affinity DataIC50: 120nMAssay Description:Inhibition of human recombinant AChE by Ellman's spectrophotometric assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/7/2023
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetAcetylcholinesterase(Human)
University of Bari "Aldo Moro

Curated by ChEMBL
LigandPNGBDBM50585930(CHEMBL3586771)
Affinity DataIC50: 120nMAssay Description:Inhibition of human recombinant AChE expressed in HEK293 cells using acetylthiocholine iodide as substrate by Ellman's methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetCholinesterase(Horse)
University of Bari "Aldo Moro

Curated by ChEMBL
LigandPNGBDBM50585930(CHEMBL3586771)
Affinity DataIC50: 1.10E+3nMAssay Description:Inhibition of horse serum BChE by Ellman's spectrophotometric assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/7/2023
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
University of Bari "Aldo Moro

Curated by ChEMBL
LigandPNGBDBM50585930(CHEMBL3586771)
Affinity DataIC50: 7.00E+3nMAssay Description:Inhibition of human recombinant CYP3A4 expressed in baculosomes by fluorescent homogenous assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/7/2023
Entry Details Article
PubMed
TargetCholinesterase(Human)
University of Bari Aldo Moro

Curated by ChEMBL
LigandPNGBDBM50585930(CHEMBL3586771)
Affinity DataIC50: 9.31E+3nMAssay Description:Inhibition of human BChE by Ellman's methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetAmine oxidase [flavin-containing] A(Human)
University of Bari "Aldo Moro

Curated by ChEMBL
LigandPNGBDBM50585930(CHEMBL3586771)
Affinity DataIC50: 1.50E+4nMAssay Description:Inhibition of human recombinant MAO-A expressed in supersomes assessed as inhibition of 4-hydroxyquinoline formation using kynuramine as substrate by...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/7/2023
Entry Details Article
PubMed
TargetAmine oxidase [flavin-containing] A(Human)
University of Bari "Aldo Moro

Curated by ChEMBL
LigandPNGBDBM50585930(CHEMBL3586771)
Affinity DataIC50: 1.52E+4nMAssay Description:Inhibition of human recombinant MAO A expressed in baculovirus infected in BTI insect cells by spectrofluorimetric methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed