BDBM50156693 6-Methoxy-7-hydroxycoumarin::6-Methylesculetin::6-O-Methylesculetin::7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one::7-hydroxy-6-methoxy-2H-chromen-2-one::CHEMBL71851::scopoletin

SMILES COc1cc2ccc(=O)oc2cc1O

InChI Key InChIKey=RODXRVNMMDRFIK-UHFFFAOYSA-N

Data  7 KI  12 IC50

PDB links: 4 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 50156693   

TargetPolyunsaturated fatty acid 5-lipoxygenase(Human)
Tahitian Noni International

Curated by ChEMBL
LigandPNGBDBM50156693(7-hydroxy-6-methoxy-2H-chromen-2-one | scopoletin ...)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of 5LOX in human PBMC by EIA assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetInduced myeloid leukemia cell differentiation protein Mcl-1(Human)
Dalian University of Technology

Curated by ChEMBL
LigandPNGBDBM50156693(7-hydroxy-6-methoxy-2H-chromen-2-one | scopoletin ...)
Affinity DataIC50: 2.26E+4nMAssay Description:Displacement of FAM-Bid peptide from recombinant N-terminal His6x-tagged human Mcl-1 expressed in Escherichia coli BL21 (DE3) incubated for 30 mins b...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMed
TargetAmine oxidase [flavin-containing] A(Human)
Sunchon National University

Curated by ChEMBL
LigandPNGBDBM50156693(7-hydroxy-6-methoxy-2H-chromen-2-one | scopoletin ...)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of human recombinant MAO-A expressed in baculovirus infected BTI insect cells using kynuramine as substrate after 20 mins by spectrophotom...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)
Sunchon National University

Curated by ChEMBL
LigandPNGBDBM50156693(7-hydroxy-6-methoxy-2H-chromen-2-one | scopoletin ...)
Affinity DataIC50: 6.00E+4nMAssay Description:Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI insect cells using benzylamine as substrate after 30 mins by spectrophoto...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed
TargetAcetylcholinesterase(Electric eel)
Sunchon National University

Curated by ChEMBL
LigandPNGBDBM50156693(7-hydroxy-6-methoxy-2H-chromen-2-one | scopoletin ...)
Affinity DataIC50: 3.58E+4nMAssay Description:Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition by Ellman's metho...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed
TargetGlyceraldehyde-3-phosphate dehydrogenase(Human)
Universidade Federal De Minas Gerais

Curated by ChEMBL
LigandPNGBDBM50156693(7-hydroxy-6-methoxy-2H-chromen-2-one | scopoletin ...)
Affinity DataIC50: 2.57E+5nMAssay Description:Inhibitory concentration against glyceraldehyde-3-phosphate dehydrogenase was determined as log 1/IC50More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetAcetylcholinesterase(Mouse)
Kyung Hee University

Curated by ChEMBL
LigandPNGBDBM50156693(7-hydroxy-6-methoxy-2H-chromen-2-one | scopoletin ...)
Affinity DataIC50: 4.76E+5nMAssay Description:Inhibition of ICR mouse brain AChE using acetylthiocholine iodide as substrate incubated 10 mins prior to substrate addition measured after 10 mins b...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/25/2014
Entry Details Article
PubMed
TargetSorbitol dehydrogenase(Human)
University of Toyama

Curated by ChEMBL
LigandPNGBDBM50156693(7-hydroxy-6-methoxy-2H-chromen-2-one | scopoletin ...)
Affinity DataIC50: 1.37E+5nMAssay Description:Inhibition sorbitol dehydrogenase by spectrophotometric analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/12/2011
Entry Details Article
PubMed
TargetAldo-keto reductase family 1 member B1(Human)
University of Toyama

Curated by ChEMBL
LigandPNGBDBM50156693(7-hydroxy-6-methoxy-2H-chromen-2-one | scopoletin ...)
Affinity DataIC50: 7.44E+4nMAssay Description:Inhibition human recombinant aldose reductase 1 by spectrophotometric analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/12/2011
Entry Details Article
PubMed
TargetPolyunsaturated fatty acid lipoxygenase ALOX15(Rabbit)
Tahitian Noni International

Curated by ChEMBL
LigandPNGBDBM50156693(7-hydroxy-6-methoxy-2H-chromen-2-one | scopoletin ...)
Affinity DataIC50: 1.65E+4nMAssay Description:Inhibition of 15LOX in rabbit reticulocytes by EIA assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetProstaglandin G/H synthase 2(Human)
Tahitian Noni International

Curated by ChEMBL
LigandPNGBDBM50156693(7-hydroxy-6-methoxy-2H-chromen-2-one | scopoletin ...)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human recombinant COX2 expressed in insect Sf21 cells by EIA assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetAcetylcholinesterase(Human)
Leopold-Franzens University of Innsbruck

Curated by ChEMBL
LigandPNGBDBM50156693(7-hydroxy-6-methoxy-2H-chromen-2-one | scopoletin ...)
Affinity DataIC50: 1.69E+5nMAssay Description:Inhibition of AChE by microplate assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCarbonic anhydrase 9(Human)
Griffith University

Curated by ChEMBL
LigandPNGBDBM50156693(7-hydroxy-6-methoxy-2H-chromen-2-one | scopoletin ...)
Affinity DataKi:  960nMAssay Description:Inhibition of human carbonic anhydrase 9 preincubated for 6 hrs by CO2 hydration stopped-flow assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetCarbonic anhydrase 12(Human)
Griffith University

Curated by ChEMBL
LigandPNGBDBM50156693(7-hydroxy-6-methoxy-2H-chromen-2-one | scopoletin ...)
Affinity DataKi:  4.05E+3nMAssay Description:Inhibition of human carbonic anhydrase 12 preincubated for 6 hrs by CO2 hydration stopped-flow assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetCarbonic anhydrase 7(Human)
Griffith University

Curated by ChEMBL
LigandPNGBDBM50156693(7-hydroxy-6-methoxy-2H-chromen-2-one | scopoletin ...)
Affinity DataKi:  8.71E+3nMAssay Description:Inhibition of human carbonic anhydrase 7 preincubated for 6 hrs by CO2 hydration stopped-flow assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetCarbonic anhydrase 1(Human)
Griffith University

Curated by ChEMBL
LigandPNGBDBM50156693(7-hydroxy-6-methoxy-2H-chromen-2-one | scopoletin ...)
Affinity DataKi:  1.06E+4nMAssay Description:Inhibition of human carbonic anhydrase 1 preincubated for 6 hrs by CO2 hydration stopped-flow assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetInduced myeloid leukemia cell differentiation protein Mcl-1(Human)
Dalian University of Technology

Curated by ChEMBL
LigandPNGBDBM50156693(7-hydroxy-6-methoxy-2H-chromen-2-one | scopoletin ...)
Affinity DataKi:  1.35E+4nMAssay Description:Displacement of FAM-Bid peptide from recombinant N-terminal His6x-tagged human Mcl-1 expressed in Escherichia coli BL21 (DE3) incubated for 30 mins b...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMed
TargetCarbonic anhydrase 13(Human)
Griffith University

Curated by ChEMBL
LigandPNGBDBM50156693(7-hydroxy-6-methoxy-2H-chromen-2-one | scopoletin ...)
Affinity DataKi:  1.78E+4nMAssay Description:Inhibition of human carbonic anhydrase 13 preincubated for 6 hrs by CO2 hydration stopped-flow assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetCarbonic anhydrase 2(Human)
Griffith University

Curated by ChEMBL
LigandPNGBDBM50156693(7-hydroxy-6-methoxy-2H-chromen-2-one | scopoletin ...)
Affinity DataKi: >1.00E+5nMAssay Description:Inhibition of human carbonic anhydrase 2 preincubated for 6 hrs by CO2 hydration stopped-flow assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed