BDBM50532731 CHEMBL4571763

SMILES Cc1c(C)c(=O)oc2cc(OCC3CCCN(Cc4ccccc4)C3)ccc12

InChI Key InChIKey=HKIDXMKKZYHFEM-UHFFFAOYSA-N

Data  5 KI  36 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 41 hits for monomerid = 50532731   

TargetAcetylcholinesterase(Human)
Swedish Defence Research Agency

Curated by ChEMBL
LigandPNGBDBM50532731(CHEMBL4571763)
Affinity DataIC50: 1.40E+3nMAssay Description:Inhibition of recombinant human AChE by spectrophotometric Ellman's methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetAcetylcholinesterase(Electric eel)
University of Bari Aldo Moro

Curated by ChEMBL
LigandPNGBDBM50532731(CHEMBL4571763)
Affinity DataIC50: 1.80E+3nMAssay Description:Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured for 5 mi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed
TargetAmine oxidase [flavin-containing] A(Human)
University of Bari Aldo Moro

Curated by ChEMBL
LigandPNGBDBM50532731(CHEMBL4571763)
Affinity DataIC50: 2.81E+3nMAssay Description:Inhibition of human recombinant MAOA expressed in microsomes of baculovirus-infected insect cell using kynuramine as substrate preincubated for 20 mi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed
TargetAmine oxidase [flavin-containing] B(Human)
University of Bari Aldo Moro

Curated by ChEMBL
LigandPNGBDBM50532731(CHEMBL4571763)
Affinity DataIC50: 30nMAssay Description:Inhibition of human recombinant MAOB expressed in microsomes of baculovirus-infected insect cell using kynuramine as substrate preincubated for 20 mi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed
TargetAcetylcholinesterase(Electric eel)
University of Bari Aldo Moro

Curated by ChEMBL
LigandPNGBDBM50532731(CHEMBL4571763)
Affinity DataIC50: 1.03E+3nMAssay Description:Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured for 5 mi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed
TargetCholinesterase(Horse)
University of Bari Aldo Moro

Curated by ChEMBL
LigandPNGBDBM50532731(CHEMBL4571763)
Affinity DataIC50: 2.91E+3nMAssay Description:Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured for 5 m...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed
TargetAmine oxidase [flavin-containing] B(Human)
University of Bari Aldo Moro

Curated by ChEMBL
LigandPNGBDBM50532731(CHEMBL4571763)
Affinity DataIC50: 23nMAssay Description:Inhibition of human recombinant MAOB expressed in microsomes of baculovirus-infected insect cell using kynuramine as substrate preincubated for 20 mi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed
TargetAmine oxidase [flavin-containing] B(Human)
University of Bari Aldo Moro

Curated by ChEMBL
LigandPNGBDBM50532731(CHEMBL4571763)
Affinity DataIC50: 30nMAssay Description:Inhibition of recombinant human MAO-B expressed in Pichia pastoris using kynuramine as substrate by fluorescence analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetAmine oxidase [flavin-containing] B(Human)
University of Bari Aldo Moro

Curated by ChEMBL
LigandPNGBDBM50532731(CHEMBL4571763)
Affinity DataIC50: 23nMAssay Description:Inhibition of recombinant human MAO-B expressed in Pichia pastoris using kynuramine as substrate by fluorescence analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetAmine oxidase [flavin-containing] B(Human)
University of Bari Aldo Moro

Curated by ChEMBL
LigandPNGBDBM50532731(CHEMBL4571763)
Affinity DataIC50: 190nMAssay Description:Inhibition of recombinant human MAO-B expressed in Pichia pastoris using kynuramine as substrate by fluorescence analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetAcetylcholinesterase(Electric eel)
University of Bari Aldo Moro

Curated by ChEMBL
LigandPNGBDBM50532731(CHEMBL4571763)
Affinity DataIC50: 1.80E+3nMAssay Description:Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured for 5 mi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed
TargetAcetylcholinesterase(Human)
Swedish Defence Research Agency

Curated by ChEMBL
LigandPNGBDBM50532731(CHEMBL4571763)
Affinity DataIC50: 1.60E+3nMAssay Description:Inhibition of recombinant human AChE by spectrophotometric Ellman's methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetAcetylcholinesterase(Human)
Swedish Defence Research Agency

Curated by ChEMBL
LigandPNGBDBM50532731(CHEMBL4571763)
Affinity DataIC50: 1.30E+3nMAssay Description:Inhibition of recombinant human AChE by spectrophotometric Ellman's methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetAcetylcholinesterase(Mouse)
Swedish Defence Research Agency

Curated by ChEMBL
LigandPNGBDBM50532731(CHEMBL4571763)
Affinity DataIC50: 1.50E+3nMAssay Description:Inhibition of recombinant mouse AChE expressed in human HEK293F cells using acetylthiocholine iodide as substrate by spectrophotometric Ellman's meth...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetAcetylcholinesterase(Mouse)
Swedish Defence Research Agency

Curated by ChEMBL
LigandPNGBDBM50532731(CHEMBL4571763)
Affinity DataIC50: 700nMAssay Description:Inhibition of recombinant mouse AChE expressed in human HEK293F cells using acetylthiocholine iodide as substrate by spectrophotometric Ellman's meth...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetAmine oxidase [flavin-containing] A(Human)
University of Bari Aldo Moro

Curated by ChEMBL
LigandPNGBDBM50532731(CHEMBL4571763)
Affinity DataIC50: 2.80E+3nMAssay 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] B(Human)
University of Bari Aldo Moro

Curated by ChEMBL
LigandPNGBDBM50532731(CHEMBL4571763)
Affinity DataIC50: 30nMAssay 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
PubMed
TargetAcetylcholinesterase(Human)
Swedish Defence Research Agency

Curated by ChEMBL
LigandPNGBDBM50532731(CHEMBL4571763)
Affinity DataIC50: 840nMAssay 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
PubMed
TargetCholinesterase(Horse)
University of Bari Aldo Moro

Curated by ChEMBL
LigandPNGBDBM50532731(CHEMBL4571763)
Affinity DataIC50: 3.40E+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
TargetAmine oxidase [flavin-containing] A(Human)
University of Bari Aldo Moro

Curated by ChEMBL
LigandPNGBDBM50532731(CHEMBL4571763)
Affinity DataIC50: 3.84E+3nMAssay Description:Inhibition of human recombinant MAOA expressed in microsomes of baculovirus-infected insect cell using kynuramine as substrate preincubated for 20 mi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed
TargetCholinesterase(Horse)
University of Bari Aldo Moro

Curated by ChEMBL
LigandPNGBDBM50532731(CHEMBL4571763)
Affinity DataIC50: 2.91E+3nMAssay Description:Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured for 5 m...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed
TargetAmine oxidase [flavin-containing] A(Human)
University of Bari Aldo Moro

Curated by ChEMBL
LigandPNGBDBM50532731(CHEMBL4571763)
Affinity DataIC50: 3.84E+3nMAssay Description:Inhibition of human recombinant MAOA expressed in microsomes of baculovirus-infected insect cell using kynuramine as substrate preincubated for 20 mi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed
TargetAmine oxidase [flavin-containing] A(Human)
University of Bari Aldo Moro

Curated by ChEMBL
LigandPNGBDBM50532731(CHEMBL4571763)
Affinity DataIC50: 3.84E+3nMAssay Description:Inhibition of human recombinant MAOA expressed in microsomes of baculovirus-infected insect cell using kynuramine as substrate preincubated for 20 mi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed
TargetAmine oxidase [flavin-containing] B(Human)
University of Bari Aldo Moro

Curated by ChEMBL
LigandPNGBDBM50532731(CHEMBL4571763)
Affinity DataIC50: 23nMAssay Description:Inhibition of human recombinant MAOB expressed in microsomes of baculovirus-infected insect cell using kynuramine as substrate preincubated for 20 mi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed
TargetAcetylcholinesterase(Electric eel)
University of Bari Aldo Moro

Curated by ChEMBL
LigandPNGBDBM50532731(CHEMBL4571763)
Affinity DataIC50: 1.80E+3nMAssay Description:Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured for 5 mi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed
TargetAmine oxidase [flavin-containing] A(Human)
University of Bari Aldo Moro

Curated by ChEMBL
LigandPNGBDBM50532731(CHEMBL4571763)
Affinity DataIC50: 2.81E+3nMAssay Description:Inhibition of human recombinant MAOA expressed in microsomes of baculovirus-infected insect cell using kynuramine as substrate preincubated for 20 mi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed
TargetAmine oxidase [flavin-containing] A(Human)
University of Bari Aldo Moro

Curated by ChEMBL
LigandPNGBDBM50532731(CHEMBL4571763)
Affinity DataIC50: 3.84E+3nMAssay Description:Inhibition of human recombinant MAOA expressed in microsomes of baculovirus-infected insect cell using kynuramine as substrate preincubated for 20 mi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed
TargetAmine oxidase [flavin-containing] B(Human)
University of Bari Aldo Moro

Curated by ChEMBL
LigandPNGBDBM50532731(CHEMBL4571763)
Affinity DataIC50: 23nMAssay Description:Inhibition of human recombinant MAOB expressed in microsomes of baculovirus-infected insect cell using kynuramine as substrate preincubated for 20 mi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed
TargetCholinesterase(Horse)
University of Bari Aldo Moro

Curated by ChEMBL
LigandPNGBDBM50532731(CHEMBL4571763)
Affinity DataIC50: 3.41E+3nMAssay Description:Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured for 5 m...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed
TargetCholinesterase(Horse)
University of Bari Aldo Moro

Curated by ChEMBL
LigandPNGBDBM50532731(CHEMBL4571763)
Affinity DataIC50: 2.91E+3nMAssay Description:Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured for 5 m...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed
TargetAcetylcholinesterase(Electric eel)
University of Bari Aldo Moro

Curated by ChEMBL
LigandPNGBDBM50532731(CHEMBL4571763)
Affinity DataIC50: 1.03E+3nMAssay Description:Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured for 5 mi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed
TargetAcetylcholinesterase(Electric eel)
University of Bari Aldo Moro

Curated by ChEMBL
LigandPNGBDBM50532731(CHEMBL4571763)
Affinity DataIC50: 1.80E+3nMAssay Description:Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured for 5 mi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed
TargetCholinesterase(Horse)
University of Bari Aldo Moro

Curated by ChEMBL
LigandPNGBDBM50532731(CHEMBL4571763)
Affinity DataIC50: 3.41E+3nMAssay Description:Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured for 5 m...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed
TargetCholinesterase(Horse)
University of Bari Aldo Moro

Curated by ChEMBL
LigandPNGBDBM50532731(CHEMBL4571763)
Affinity DataIC50: 2.91E+3nMAssay Description:Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured for 5 m...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed
TargetAmine oxidase [flavin-containing] B(Human)
University of Bari Aldo Moro

Curated by ChEMBL
LigandPNGBDBM50532731(CHEMBL4571763)
Affinity DataIC50: 30nMAssay Description:Inhibition of human recombinant MAOB expressed in microsomes of baculovirus-infected insect cell using kynuramine as substrate preincubated for 20 mi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed
TargetAmine oxidase [flavin-containing] B(Human)
University of Bari Aldo Moro

Curated by ChEMBL
LigandPNGBDBM50532731(CHEMBL4571763)
Affinity DataIC50: 23nMAssay Description:Inhibition of human recombinant MAOB expressed in microsomes of baculovirus-infected insect cell using kynuramine as substrate preincubated for 20 mi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed
TargetAmine oxidase [flavin-containing] B(Human)
University of Bari Aldo Moro

Curated by ChEMBL
LigandPNGBDBM50532731(CHEMBL4571763)
Affinity DataKi:  93nMAssay Description:Binding affinity to recombinant human MAO-B expressed in Pichia pastoris assessed as inhibition constant using benzylamine as substrate by Michaelis-...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetAmine oxidase [flavin-containing] B(Human)
University of Bari Aldo Moro

Curated by ChEMBL
LigandPNGBDBM50532731(CHEMBL4571763)
Affinity DataKi:  130nMAssay Description:Binding affinity to recombinant human MAO-B expressed in Pichia pastoris assessed as inhibition constant using benzylamine as substrate by Michaelis-...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetAmine oxidase [flavin-containing] B(Human)
University of Bari Aldo Moro

Curated by ChEMBL
LigandPNGBDBM50532731(CHEMBL4571763)
Affinity DataKi:  190nMAssay Description:Binding affinity to recombinant human MAO-B expressed in Pichia pastoris assessed as inhibition constant using benzylamine as substrate by Michaelis-...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetAcetylcholinesterase(Electric eel)
University of Bari Aldo Moro

Curated by ChEMBL
LigandPNGBDBM50532731(CHEMBL4571763)
Affinity DataKi:  1.37E+3nMAssay Description:Mixed-type inhibition of electric eel AChE using S-acetylthiocholine as substrate preincubated for 20 mins followed by substrate addition measured fo...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed
TargetAcetylcholinesterase(Electric eel)
University of Bari Aldo Moro

Curated by ChEMBL
LigandPNGBDBM50532731(CHEMBL4571763)
Affinity DataKi:  1.37E+3nMAssay Description:Mixed-type inhibition of electric eel AChE using S-acetylthiocholine as substrate preincubated for 20 mins followed by substrate addition measured fo...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed