BDBM50182435 CHEMBL3818084

SMILES COc1ccc2c(c1)C/C(=C\C3CCN(CC3)Cc4ccccc4)/C2=O

InChI Key InChIKey=CNIWTTNRVIMZIP-UHFFFAOYSA-N

Data  2 KI  4 IC50

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 6 hits for monomerid = 50182435   

TargetBeta-secretase 1(Mouse)
Magna Graecia University of Catanzaro

Curated by ChEMBL
LigandPNGBDBM50182435(CHEMBL3818084)
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of mouse BACE-1 preincubated for 10 mins followed by fluorescent peptide substrate addition measured for 30 mins by fluorescence plate rea...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/26/2017
Entry Details Article
PubMed
TargetAcetylcholinesterase(Human)
Magna Graecia University of Catanzaro

Curated by ChEMBL
LigandPNGBDBM50182435(CHEMBL3818084)
Affinity DataIC50: 43nMAssay Description:Inhibition of human erythrocytes AchE using acetylthiocholine iodide as substrate incubated for 20 mins by Ellman methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/26/2017
Entry Details Article
PubMed
TargetCholinesterase(Horse)
Magna Graecia University of Catanzaro

Curated by ChEMBL
LigandPNGBDBM50182435(CHEMBL3818084)
Affinity DataIC50: 5.73E+3nMAssay Description:Inhibition of horse serum BuChE using butyrylthiocoline iodide as substrate incubated for 20 mins by Ellman methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/26/2017
Entry Details Article
PubMed
TargetBeta-secretase 1(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50182435(CHEMBL3818084)
Affinity DataIC50: 333nMAssay Description:Inhibition of BACE-1 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2020
Entry Details Article
PubMed
TargetAcetylcholinesterase(Human)
Magna Graecia University of Catanzaro

Curated by ChEMBL
LigandPNGBDBM50182435(CHEMBL3818084)
Affinity DataKi:  29nMAssay Description:Non-competitive inhibition of human erythrocytes AchE using acetylthiocholine iodide as substrate incubated for 20 mins by Lineweaver-Burk plot analy...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/26/2017
Entry Details Article
PubMed
TargetCholinesterase(Horse)
Magna Graecia University of Catanzaro

Curated by ChEMBL
LigandPNGBDBM50182435(CHEMBL3818084)
Affinity DataKi:  3.14E+3nMAssay Description:Non-competitive inhibition of horse serum BuChE using butyrylthiocoline iodide as substrate incubated for 20 mins by Lineweaver-Burk plot analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/26/2017
Entry Details Article
PubMed