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BDBM50303491 8-methoxy-2-oxo-2H-chromene-3-carboxylic acid::CHEMBL568348

SMILES: COc1cccc2cc(C(O)=O)c(=O)oc12

InChI Key: InChIKey=SFAPWVZFUHJZIC-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 = 50303491   
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 XIV


(Homo sapiens (human))
BDBM50303491
PNG
(8-methoxy-2-oxo-2H-chromene-3-carboxylic acid | CH...)
Show SMILES COc1cccc2cc(C(O)=O)c(=O)oc12
Show InChI InChI=1S/C11H8O5/c1-15-8-4-2-3-6-5-7(10(12)13)11(14)16-9(6)8/h2-5H,1H3,(H,12,13)
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PubMed
48n/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)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50303491
PNG
(8-methoxy-2-oxo-2H-chromene-3-carboxylic acid | CH...)
Show SMILES COc1cccc2cc(C(O)=O)c(=O)oc12
Show InChI InChI=1S/C11H8O5/c1-15-8-4-2-3-6-5-7(10(12)13)11(14)16-9(6)8/h2-5H,1H3,(H,12,13)
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PubMed
66n/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)

More data for this
Ligand-Target Pair
Carbonic Anhydrase VA


(Homo sapiens (human))
BDBM50303491
PNG
(8-methoxy-2-oxo-2H-chromene-3-carboxylic acid | CH...)
Show SMILES COc1cccc2cc(C(O)=O)c(=O)oc12
Show InChI InChI=1S/C11H8O5/c1-15-8-4-2-3-6-5-7(10(12)13)11(14)16-9(6)8/h2-5H,1H3,(H,12,13)
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PubMed
4.70E+3n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


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


J Med Chem 53: 335-44 (2010)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50303491
PNG
(8-methoxy-2-oxo-2H-chromene-3-carboxylic acid | CH...)
Show SMILES COc1cccc2cc(C(O)=O)c(=O)oc12
Show InChI InChI=1S/C11H8O5/c1-15-8-4-2-3-6-5-7(10(12)13)11(14)16-9(6)8/h2-5H,1H3,(H,12,13)
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PubMed
5.40E+3n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


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


J Med Chem 53: 335-44 (2010)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50303491
PNG
(8-methoxy-2-oxo-2H-chromene-3-carboxylic acid | CH...)
Show SMILES COc1cccc2cc(C(O)=O)c(=O)oc12
Show InChI InChI=1S/C11H8O5/c1-15-8-4-2-3-6-5-7(10(12)13)11(14)16-9(6)8/h2-5H,1H3,(H,12,13)
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PubMed
5.60E+3n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


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


J Med Chem 53: 335-44 (2010)

More data for this
Ligand-Target Pair
Carbonic anhydrase 15


(Mus musculus)
BDBM50303491
PNG
(8-methoxy-2-oxo-2H-chromene-3-carboxylic acid | CH...)
Show SMILES COc1cccc2cc(C(O)=O)c(=O)oc12
Show InChI InChI=1S/C11H8O5/c1-15-8-4-2-3-6-5-7(10(12)13)11(14)16-9(6)8/h2-5H,1H3,(H,12,13)
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PubMed
6.40E+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)

More data for this
Ligand-Target Pair
Carbonic Anhydrase XIII


(Mus musculus (mouse))
BDBM50303491
PNG
(8-methoxy-2-oxo-2H-chromene-3-carboxylic acid | CH...)
Show SMILES COc1cccc2cc(C(O)=O)c(=O)oc12
Show InChI InChI=1S/C11H8O5/c1-15-8-4-2-3-6-5-7(10(12)13)11(14)16-9(6)8/h2-5H,1H3,(H,12,13)
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PubMed
6.60E+3n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


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


J Med Chem 53: 335-44 (2010)

More data for this
Ligand-Target Pair
Carbonic Anhydrase III


(Homo sapiens (human))
BDBM50303491
PNG
(8-methoxy-2-oxo-2H-chromene-3-carboxylic acid | CH...)
Show SMILES COc1cccc2cc(C(O)=O)c(=O)oc12
Show InChI InChI=1S/C11H8O5/c1-15-8-4-2-3-6-5-7(10(12)13)11(14)16-9(6)8/h2-5H,1H3,(H,12,13)
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PubMed
1.77E+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)

More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (human))
BDBM50303491
PNG
(8-methoxy-2-oxo-2H-chromene-3-carboxylic acid | CH...)
Show SMILES COc1cccc2cc(C(O)=O)c(=O)oc12
Show InChI InChI=1S/C11H8O5/c1-15-8-4-2-3-6-5-7(10(12)13)11(14)16-9(6)8/h2-5H,1H3,(H,12,13)
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PubMed
3.17E+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)

More data for this
Ligand-Target Pair
Carbonic Anhydrase VB


(Homo sapiens (human))
BDBM50303491
PNG
(8-methoxy-2-oxo-2H-chromene-3-carboxylic acid | CH...)
Show SMILES COc1cccc2cc(C(O)=O)c(=O)oc12
Show InChI InChI=1S/C11H8O5/c1-15-8-4-2-3-6-5-7(10(12)13)11(14)16-9(6)8/h2-5H,1H3,(H,12,13)
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PubMed
3.17E+4n/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)

More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (human))
BDBM50303491
PNG
(8-methoxy-2-oxo-2H-chromene-3-carboxylic acid | CH...)
Show SMILES COc1cccc2cc(C(O)=O)c(=O)oc12
Show InChI InChI=1S/C11H8O5/c1-15-8-4-2-3-6-5-7(10(12)13)11(14)16-9(6)8/h2-5H,1H3,(H,12,13)
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Article
PubMed
3.24E+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)

More data for this
Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI)


(Homo sapiens (Human))
BDBM50303491
PNG
(8-methoxy-2-oxo-2H-chromene-3-carboxylic acid | CH...)
Show SMILES COc1cccc2cc(C(O)=O)c(=O)oc12
Show InChI InChI=1S/C11H8O5/c1-15-8-4-2-3-6-5-7(10(12)13)11(14)16-9(6)8/h2-5H,1H3,(H,12,13)
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Article
PubMed
4.45E+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)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50303491
PNG
(8-methoxy-2-oxo-2H-chromene-3-carboxylic acid | CH...)
Show SMILES COc1cccc2cc(C(O)=O)c(=O)oc12
Show InChI InChI=1S/C11H8O5/c1-15-8-4-2-3-6-5-7(10(12)13)11(14)16-9(6)8/h2-5H,1H3,(H,12,13)
PDB
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Article
PubMed
6.22E+4n/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)

More data for this
Ligand-Target Pair