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BDBM50303499 7-(methyloxy)-2H-chromen-2-one::7-Methoxycoumarin::7-methoxy-2H-1-benzopyran-2-one::Ayapanin::CHEMBL49732::Herniarin::Herniarine::Methylumbelliferone

SMILES: COc1ccc2ccc(=O)oc2c1

InChI Key: InChIKey=LIIALPBMIOVAHH-UHFFFAOYSA-N

Data: 13 KI  6 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 50303499   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50303499
PNG
(7-(methyloxy)-2H-chromen-2-one | 7-Methoxycoumarin...)
Show SMILES COc1ccc2ccc(=O)oc2c1
Show InChI InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3
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2.40E+3n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 by stopped flow CO2 hydration assay


J Med Chem 53: 335-44 (2010)


Article DOI: 10.1021/jm901287j
BindingDB Entry DOI: 10.7270/Q2MS3TP5
More data for this
Ligand-Target Pair
Carbonic Anhydrase VA


(Homo sapiens (Human))
BDBM50303499
PNG
(7-(methyloxy)-2H-chromen-2-one | 7-Methoxycoumarin...)
Show SMILES COc1ccc2ccc(=O)oc2c1
Show InChI InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3
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5.10E+3n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 5A by stopped flow CO2 hydration assay


J Med Chem 53: 335-44 (2010)


Article DOI: 10.1021/jm901287j
BindingDB Entry DOI: 10.7270/Q2MS3TP5
More data for this
Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI)


(Homo sapiens (Human))
BDBM50303499
PNG
(7-(methyloxy)-2H-chromen-2-one | 7-Methoxycoumarin...)
Show SMILES COc1ccc2ccc(=O)oc2c1
Show InChI InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3
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5.50E+3n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 6 by stopped flow CO2 hydration assay


J Med Chem 53: 335-44 (2010)


Article DOI: 10.1021/jm901287j
BindingDB Entry DOI: 10.7270/Q2MS3TP5
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50303499
PNG
(7-(methyloxy)-2H-chromen-2-one | 7-Methoxycoumarin...)
Show SMILES COc1ccc2ccc(=O)oc2c1
Show InChI InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3
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5.90E+3n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by stopped flow CO2 hydration assay


J Med Chem 53: 335-44 (2010)


Article DOI: 10.1021/jm901287j
BindingDB Entry DOI: 10.7270/Q2MS3TP5
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50303499
PNG
(7-(methyloxy)-2H-chromen-2-one | 7-Methoxycoumarin...)
Show SMILES COc1ccc2ccc(=O)oc2c1
Show InChI InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3
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8.30E+3n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 4 by stopped flow CO2 hydration assay


J Med Chem 53: 335-44 (2010)


Article DOI: 10.1021/jm901287j
BindingDB Entry DOI: 10.7270/Q2MS3TP5
More data for this
Ligand-Target Pair
Carbonic anhydrase 15


(Mus musculus)
BDBM50303499
PNG
(7-(methyloxy)-2H-chromen-2-one | 7-Methoxycoumarin...)
Show SMILES COc1ccc2ccc(=O)oc2c1
Show InChI InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3
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8.40E+3n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of mouse carbonic anhydrase 15 by stopped flow CO2 hydration assay


J Med Chem 53: 335-44 (2010)


Article DOI: 10.1021/jm901287j
BindingDB Entry DOI: 10.7270/Q2MS3TP5
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIII


(Mus musculus (mouse))
BDBM50303499
PNG
(7-(methyloxy)-2H-chromen-2-one | 7-Methoxycoumarin...)
Show SMILES COc1ccc2ccc(=O)oc2c1
Show InChI InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3
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8.90E+3n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of mouse carbonic anhydrase 13 by stopped flow CO2 hydration assay


J Med Chem 53: 335-44 (2010)


Article DOI: 10.1021/jm901287j
BindingDB Entry DOI: 10.7270/Q2MS3TP5
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50303499
PNG
(7-(methyloxy)-2H-chromen-2-one | 7-Methoxycoumarin...)
Show SMILES COc1ccc2ccc(=O)oc2c1
Show InChI InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3
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9.00E+3n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 14 by stopped flow CO2 hydration assay


J Med Chem 53: 335-44 (2010)


Article DOI: 10.1021/jm901287j
BindingDB Entry DOI: 10.7270/Q2MS3TP5
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50303499
PNG
(7-(methyloxy)-2H-chromen-2-one | 7-Methoxycoumarin...)
Show SMILES COc1ccc2ccc(=O)oc2c1
Show InChI InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3
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9.70E+3n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 by stopped flow CO2 hydration assay


J Med Chem 53: 335-44 (2010)


Article DOI: 10.1021/jm901287j
BindingDB Entry DOI: 10.7270/Q2MS3TP5
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50303499
PNG
(7-(methyloxy)-2H-chromen-2-one | 7-Methoxycoumarin...)
Show SMILES COc1ccc2ccc(=O)oc2c1
Show InChI InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3
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9.80E+3n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 by stopped flow CO2 hydration assay


J Med Chem 53: 335-44 (2010)


Article DOI: 10.1021/jm901287j
BindingDB Entry DOI: 10.7270/Q2MS3TP5
More data for this
Ligand-Target Pair
Carbonic Anhydrase III


(Homo sapiens (Human))
BDBM50303499
PNG
(7-(methyloxy)-2H-chromen-2-one | 7-Methoxycoumarin...)
Show SMILES COc1ccc2ccc(=O)oc2c1
Show InChI InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3
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9.60E+4n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 3 by stopped flow CO2 hydration assay


J Med Chem 53: 335-44 (2010)


Article DOI: 10.1021/jm901287j
BindingDB Entry DOI: 10.7270/Q2MS3TP5
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50303499
PNG
(7-(methyloxy)-2H-chromen-2-one | 7-Methoxycoumarin...)
Show SMILES COc1ccc2ccc(=O)oc2c1
Show InChI InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3
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>5.00E+5n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by stopped flow CO2 hydration assay


J Med Chem 53: 335-44 (2010)


Article DOI: 10.1021/jm901287j
BindingDB Entry DOI: 10.7270/Q2MS3TP5
More data for this
Ligand-Target Pair
Carbonic Anhydrase VB


(Homo sapiens (Human))
BDBM50303499
PNG
(7-(methyloxy)-2H-chromen-2-one | 7-Methoxycoumarin...)
Show SMILES COc1ccc2ccc(=O)oc2c1
Show InChI InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3
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>5.00E+5n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 5B by stopped flow CO2 hydration assay


J Med Chem 53: 335-44 (2010)


Article DOI: 10.1021/jm901287j
BindingDB Entry DOI: 10.7270/Q2MS3TP5
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM50303499
PNG
(7-(methyloxy)-2H-chromen-2-one | 7-Methoxycoumarin...)
Show SMILES COc1ccc2ccc(=O)oc2c1
Show InChI InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Health Sciences University of Hokkaido

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2645-2649 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.062
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50303499
PNG
(7-(methyloxy)-2H-chromen-2-one | 7-Methoxycoumarin...)
Show SMILES COc1ccc2ccc(=O)oc2c1
Show InChI InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3
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n/an/a 6.75E+4n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition human recombinant aldose reductase 1 by spectrophotometric analysis


Bioorg Med Chem Lett 20: 5630-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.038
BindingDB Entry DOI: 10.7270/Q28052TK
More data for this
Ligand-Target Pair
Exportin-1


(Homo sapiens (Human))
BDBM50303499
PNG
(7-(methyloxy)-2H-chromen-2-one | 7-Methoxycoumarin...)
Show SMILES COc1ccc2ccc(=O)oc2c1
Show InChI InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3
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n/an/a>2.50E+4n/an/an/an/an/an/a



Osaka University

Curated by ChEMBL


Assay Description
Inhibition of CRM1-mediated hemagglutinin-tagged HIV1 Rev protein nuclear export in human HeLa cells assessed as nucleus localization after 12 hrs by...


Bioorg Med Chem Lett 20: 3717-20 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.081
BindingDB Entry DOI: 10.7270/Q21G0MF1
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50303499
PNG
(7-(methyloxy)-2H-chromen-2-one | 7-Methoxycoumarin...)
Show SMILES COc1ccc2ccc(=O)oc2c1
Show InChI InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3
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n/an/a>5.00E+5n/an/an/an/an/an/a



Kinki University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human BACE1 using Rh-EVNLDAEFK as substrate after 60 mins by fluorescence quenching assay


Bioorg Med Chem 20: 784-8 (2012)


Article DOI: 10.1016/j.bmc.2011.12.002
BindingDB Entry DOI: 10.7270/Q2F47PKK
More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens (Human))
BDBM50303499
PNG
(7-(methyloxy)-2H-chromen-2-one | 7-Methoxycoumarin...)
Show SMILES COc1ccc2ccc(=O)oc2c1
Show InChI InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3
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n/an/a 1.24E+5n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition sorbitol dehydrogenase by spectrophotometric analysis


Bioorg Med Chem Lett 20: 5630-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.038
BindingDB Entry DOI: 10.7270/Q28052TK
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50303499
PNG
(7-(methyloxy)-2H-chromen-2-one | 7-Methoxycoumarin...)
Show SMILES COc1ccc2ccc(=O)oc2c1
Show InChI InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3
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n/an/a 1.31E+5n/an/an/an/an/an/a



King's College London

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aldose reductase using D-glyceraldehyde as substrate preincubated for 10 mins before substrate addition measured for ...


Bioorg Med Chem 20: 1251-8 (2012)


Article DOI: 10.1016/j.bmc.2011.12.033
BindingDB Entry DOI: 10.7270/Q2639Q5V
More data for this
Ligand-Target Pair