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BDBM50303493 CHEMBL567896::methyl 6-(hydroxymethyl)-2-oxo-2H-chromene-3-carboxylate

SMILES: COC(=O)c1cc2cc(CO)ccc2oc1=O

InChI Key: InChIKey=BVABSSGMJLREHA-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 = 50303493   
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))
BDBM50303493
PNG
(CHEMBL567896 | methyl 6-(hydroxymethyl)-2-oxo-2H-c...)
Show SMILES COC(=O)c1cc2cc(CO)ccc2oc1=O
Show InChI InChI=1S/C12H10O5/c1-16-11(14)9-5-8-4-7(6-13)2-3-10(8)17-12(9)15/h2-5,13H,6H2,1H3
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42n/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 7


(Homo sapiens (human))
BDBM50303493
PNG
(CHEMBL567896 | methyl 6-(hydroxymethyl)-2-oxo-2H-c...)
Show SMILES COC(=O)c1cc2cc(CO)ccc2oc1=O
Show InChI InChI=1S/C12H10O5/c1-16-11(14)9-5-8-4-7(6-13)2-3-10(8)17-12(9)15/h2-5,13H,6H2,1H3
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PubMed
3.20E+3n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 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))
BDBM50303493
PNG
(CHEMBL567896 | methyl 6-(hydroxymethyl)-2-oxo-2H-c...)
Show SMILES COC(=O)c1cc2cc(CO)ccc2oc1=O
Show InChI InChI=1S/C12H10O5/c1-16-11(14)9-5-8-4-7(6-13)2-3-10(8)17-12(9)15/h2-5,13H,6H2,1H3
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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 6 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))
BDBM50303493
PNG
(CHEMBL567896 | methyl 6-(hydroxymethyl)-2-oxo-2H-c...)
Show SMILES COC(=O)c1cc2cc(CO)ccc2oc1=O
Show InChI InChI=1S/C12H10O5/c1-16-11(14)9-5-8-4-7(6-13)2-3-10(8)17-12(9)15/h2-5,13H,6H2,1H3
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7.40E+3n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of mouse carbonic anhydrase 13 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)
BDBM50303493
PNG
(CHEMBL567896 | methyl 6-(hydroxymethyl)-2-oxo-2H-c...)
Show SMILES COC(=O)c1cc2cc(CO)ccc2oc1=O
Show InChI InChI=1S/C12H10O5/c1-16-11(14)9-5-8-4-7(6-13)2-3-10(8)17-12(9)15/h2-5,13H,6H2,1H3
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7.40E+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 VB


(Homo sapiens (human))
BDBM50303493
PNG
(CHEMBL567896 | methyl 6-(hydroxymethyl)-2-oxo-2H-c...)
Show SMILES COC(=O)c1cc2cc(CO)ccc2oc1=O
Show InChI InChI=1S/C12H10O5/c1-16-11(14)9-5-8-4-7(6-13)2-3-10(8)17-12(9)15/h2-5,13H,6H2,1H3
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7.40E+3n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 5B 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))
BDBM50303493
PNG
(CHEMBL567896 | methyl 6-(hydroxymethyl)-2-oxo-2H-c...)
Show SMILES COC(=O)c1cc2cc(CO)ccc2oc1=O
Show InChI InChI=1S/C12H10O5/c1-16-11(14)9-5-8-4-7(6-13)2-3-10(8)17-12(9)15/h2-5,13H,6H2,1H3
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8.70E+3n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 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))
BDBM50303493
PNG
(CHEMBL567896 | methyl 6-(hydroxymethyl)-2-oxo-2H-c...)
Show SMILES COC(=O)c1cc2cc(CO)ccc2oc1=O
Show InChI InChI=1S/C12H10O5/c1-16-11(14)9-5-8-4-7(6-13)2-3-10(8)17-12(9)15/h2-5,13H,6H2,1H3
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PubMed
1.56E+4n/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 2


(Homo sapiens (human))
BDBM50303493
PNG
(CHEMBL567896 | methyl 6-(hydroxymethyl)-2-oxo-2H-c...)
Show SMILES COC(=O)c1cc2cc(CO)ccc2oc1=O
Show InChI InChI=1S/C12H10O5/c1-16-11(14)9-5-8-4-7(6-13)2-3-10(8)17-12(9)15/h2-5,13H,6H2,1H3
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2.27E+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
Carbonic Anhydrase III


(Homo sapiens (human))
BDBM50303493
PNG
(CHEMBL567896 | methyl 6-(hydroxymethyl)-2-oxo-2H-c...)
Show SMILES COC(=O)c1cc2cc(CO)ccc2oc1=O
Show InChI InChI=1S/C12H10O5/c1-16-11(14)9-5-8-4-7(6-13)2-3-10(8)17-12(9)15/h2-5,13H,6H2,1H3
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4.86E+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 VA


(Homo sapiens (human))
BDBM50303493
PNG
(CHEMBL567896 | methyl 6-(hydroxymethyl)-2-oxo-2H-c...)
Show SMILES COC(=O)c1cc2cc(CO)ccc2oc1=O
Show InChI InChI=1S/C12H10O5/c1-16-11(14)9-5-8-4-7(6-13)2-3-10(8)17-12(9)15/h2-5,13H,6H2,1H3
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PubMed
4.86E+4n/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


(Homo sapiens (human))
BDBM50303493
PNG
(CHEMBL567896 | methyl 6-(hydroxymethyl)-2-oxo-2H-c...)
Show SMILES COC(=O)c1cc2cc(CO)ccc2oc1=O
Show InChI InChI=1S/C12H10O5/c1-16-11(14)9-5-8-4-7(6-13)2-3-10(8)17-12(9)15/h2-5,13H,6H2,1H3
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PubMed
1.45E+5n/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 4


(Homo sapiens (human))
BDBM50303493
PNG
(CHEMBL567896 | methyl 6-(hydroxymethyl)-2-oxo-2H-c...)
Show SMILES COC(=O)c1cc2cc(CO)ccc2oc1=O
Show InChI InChI=1S/C12H10O5/c1-16-11(14)9-5-8-4-7(6-13)2-3-10(8)17-12(9)15/h2-5,13H,6H2,1H3
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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 4 by stopped flow CO2 hydration assay


J Med Chem 53: 335-44 (2010)

More data for this
Ligand-Target Pair