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BDBM50303490 6-(hydroxymethyl)-2-oxo-2H-chromene-3-carboxylic acid::CHEMBL568417

SMILES: OCc1ccc2oc(=O)c(cc2c1)C(O)=O

InChI Key: InChIKey=AESUZZDVQZTHIN-UHFFFAOYSA-N

Data: 13 KI

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 13 hits for monomerid = 50303490   
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 XIII


(Mus musculus (mouse))
BDBM50303490
PNG
(6-(hydroxymethyl)-2-oxo-2H-chromene-3-carboxylic a...)
Show SMILES OCc1ccc2oc(=O)c(cc2c1)C(O)=O
Show InChI InChI=1S/C11H8O5/c12-5-6-1-2-9-7(3-6)4-8(10(13)14)11(15)16-9/h1-4,12H,5H2,(H,13,14)
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3.10E+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 2


(Homo sapiens (Human))
BDBM50303490
PNG
(6-(hydroxymethyl)-2-oxo-2H-chromene-3-carboxylic a...)
Show SMILES OCc1ccc2oc(=O)c(cc2c1)C(O)=O
Show InChI InChI=1S/C11H8O5/c12-5-6-1-2-9-7(3-6)4-8(10(13)14)11(15)16-9/h1-4,12H,5H2,(H,13,14)
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3.80E+3n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 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 XIV


(Homo sapiens (Human))
BDBM50303490
PNG
(6-(hydroxymethyl)-2-oxo-2H-chromene-3-carboxylic a...)
Show SMILES OCc1ccc2oc(=O)c(cc2c1)C(O)=O
Show InChI InChI=1S/C11H8O5/c12-5-6-1-2-9-7(3-6)4-8(10(13)14)11(15)16-9/h1-4,12H,5H2,(H,13,14)
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3.80E+3n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 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 9


(Homo sapiens (Human))
BDBM50303490
PNG
(6-(hydroxymethyl)-2-oxo-2H-chromene-3-carboxylic a...)
Show SMILES OCc1ccc2oc(=O)c(cc2c1)C(O)=O
Show InChI InChI=1S/C11H8O5/c12-5-6-1-2-9-7(3-6)4-8(10(13)14)11(15)16-9/h1-4,12H,5H2,(H,13,14)
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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 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 12


(Homo sapiens (Human))
BDBM50303490
PNG
(6-(hydroxymethyl)-2-oxo-2H-chromene-3-carboxylic a...)
Show SMILES OCc1ccc2oc(=O)c(cc2c1)C(O)=O
Show InChI InChI=1S/C11H8O5/c12-5-6-1-2-9-7(3-6)4-8(10(13)14)11(15)16-9/h1-4,12H,5H2,(H,13,14)
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6.20E+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 15


(Mus musculus)
BDBM50303490
PNG
(6-(hydroxymethyl)-2-oxo-2H-chromene-3-carboxylic a...)
Show SMILES OCc1ccc2oc(=O)c(cc2c1)C(O)=O
Show InChI InChI=1S/C11H8O5/c12-5-6-1-2-9-7(3-6)4-8(10(13)14)11(15)16-9/h1-4,12H,5H2,(H,13,14)
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8.60E+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 III


(Homo sapiens (Human))
BDBM50303490
PNG
(6-(hydroxymethyl)-2-oxo-2H-chromene-3-carboxylic a...)
Show SMILES OCc1ccc2oc(=O)c(cc2c1)C(O)=O
Show InChI InChI=1S/C11H8O5/c12-5-6-1-2-9-7(3-6)4-8(10(13)14)11(15)16-9/h1-4,12H,5H2,(H,13,14)
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8.60E+3n/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 1


(Homo sapiens (Human))
BDBM50303490
PNG
(6-(hydroxymethyl)-2-oxo-2H-chromene-3-carboxylic a...)
Show SMILES OCc1ccc2oc(=O)c(cc2c1)C(O)=O
Show InChI InChI=1S/C11H8O5/c12-5-6-1-2-9-7(3-6)4-8(10(13)14)11(15)16-9/h1-4,12H,5H2,(H,13,14)
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9.20E+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 VB


(Homo sapiens (Human))
BDBM50303490
PNG
(6-(hydroxymethyl)-2-oxo-2H-chromene-3-carboxylic a...)
Show SMILES OCc1ccc2oc(=O)c(cc2c1)C(O)=O
Show InChI InChI=1S/C11H8O5/c12-5-6-1-2-9-7(3-6)4-8(10(13)14)11(15)16-9/h1-4,12H,5H2,(H,13,14)
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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 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
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50303490
PNG
(6-(hydroxymethyl)-2-oxo-2H-chromene-3-carboxylic a...)
Show SMILES OCc1ccc2oc(=O)c(cc2c1)C(O)=O
Show InChI InChI=1S/C11H8O5/c12-5-6-1-2-9-7(3-6)4-8(10(13)14)11(15)16-9/h1-4,12H,5H2,(H,13,14)
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3.13E+4n/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 7


(Homo sapiens (Human))
BDBM50303490
PNG
(6-(hydroxymethyl)-2-oxo-2H-chromene-3-carboxylic a...)
Show SMILES OCc1ccc2oc(=O)c(cc2c1)C(O)=O
Show InChI InChI=1S/C11H8O5/c12-5-6-1-2-9-7(3-6)4-8(10(13)14)11(15)16-9/h1-4,12H,5H2,(H,13,14)
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3.14E+4n/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 6 (CA-VI)


(Homo sapiens (Human))
BDBM50303490
PNG
(6-(hydroxymethyl)-2-oxo-2H-chromene-3-carboxylic a...)
Show SMILES OCc1ccc2oc(=O)c(cc2c1)C(O)=O
Show InChI InChI=1S/C11H8O5/c12-5-6-1-2-9-7(3-6)4-8(10(13)14)11(15)16-9/h1-4,12H,5H2,(H,13,14)
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4.31E+4n/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 VA


(Homo sapiens (Human))
BDBM50303490
PNG
(6-(hydroxymethyl)-2-oxo-2H-chromene-3-carboxylic a...)
Show SMILES OCc1ccc2oc(=O)c(cc2c1)C(O)=O
Show InChI InChI=1S/C11H8O5/c12-5-6-1-2-9-7(3-6)4-8(10(13)14)11(15)16-9/h1-4,12H,5H2,(H,13,14)
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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 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