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BDBM50131066 2-Oxo-2H-chromene-3-carboxylic acid::CHEMBL83294

SMILES: OC(=O)c1cc2ccccc2oc1=O

InChI Key: InChIKey=ACMLKANOGIVEPB-UHFFFAOYSA-N

Data: 13 KI  1 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 16 hits for monomerid = 50131066   
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 12


(Homo sapiens (Human))
BDBM50131066
PNG
(2-Oxo-2H-chromene-3-carboxylic acid | CHEMBL83294)
Show SMILES OC(=O)c1cc2ccccc2oc1=O
Show InChI InChI=1S/C10H6O4/c11-9(12)7-5-6-3-1-2-4-8(6)14-10(7)13/h1-5H,(H,11,12)
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2.90E+3n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 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 VA


(Homo sapiens (Human))
BDBM50131066
PNG
(2-Oxo-2H-chromene-3-carboxylic acid | CHEMBL83294)
Show SMILES OC(=O)c1cc2ccccc2oc1=O
Show InChI InChI=1S/C10H6O4/c11-9(12)7-5-6-3-1-2-4-8(6)14-10(7)13/h1-5H,(H,11,12)
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4.50E+3n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 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 7


(Homo sapiens (Human))
BDBM50131066
PNG
(2-Oxo-2H-chromene-3-carboxylic acid | CHEMBL83294)
Show SMILES OC(=O)c1cc2ccccc2oc1=O
Show InChI InChI=1S/C10H6O4/c11-9(12)7-5-6-3-1-2-4-8(6)14-10(7)13/h1-5H,(H,11,12)
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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 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 9


(Homo sapiens (Human))
BDBM50131066
PNG
(2-Oxo-2H-chromene-3-carboxylic acid | CHEMBL83294)
Show SMILES OC(=O)c1cc2ccccc2oc1=O
Show InChI InChI=1S/C10H6O4/c11-9(12)7-5-6-3-1-2-4-8(6)14-10(7)13/h1-5H,(H,11,12)
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6.50E+3n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 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))
BDBM50131066
PNG
(2-Oxo-2H-chromene-3-carboxylic acid | CHEMBL83294)
Show SMILES OC(=O)c1cc2ccccc2oc1=O
Show InChI InChI=1S/C10H6O4/c11-9(12)7-5-6-3-1-2-4-8(6)14-10(7)13/h1-5H,(H,11,12)
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6.60E+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 XIV


(Homo sapiens (Human))
BDBM50131066
PNG
(2-Oxo-2H-chromene-3-carboxylic acid | CHEMBL83294)
Show SMILES OC(=O)c1cc2ccccc2oc1=O
Show InChI InChI=1S/C10H6O4/c11-9(12)7-5-6-3-1-2-4-8(6)14-10(7)13/h1-5H,(H,11,12)
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8.20E+3n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 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 15


(Mus musculus)
BDBM50131066
PNG
(2-Oxo-2H-chromene-3-carboxylic acid | CHEMBL83294)
Show SMILES OC(=O)c1cc2ccccc2oc1=O
Show InChI InChI=1S/C10H6O4/c11-9(12)7-5-6-3-1-2-4-8(6)14-10(7)13/h1-5H,(H,11,12)
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8.80E+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 1


(Homo sapiens (Human))
BDBM50131066
PNG
(2-Oxo-2H-chromene-3-carboxylic acid | CHEMBL83294)
Show SMILES OC(=O)c1cc2ccccc2oc1=O
Show InChI InChI=1S/C10H6O4/c11-9(12)7-5-6-3-1-2-4-8(6)14-10(7)13/h1-5H,(H,11,12)
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9.30E+3n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 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))
BDBM50131066
PNG
(2-Oxo-2H-chromene-3-carboxylic acid | CHEMBL83294)
Show SMILES OC(=O)c1cc2ccccc2oc1=O
Show InChI InChI=1S/C10H6O4/c11-9(12)7-5-6-3-1-2-4-8(6)14-10(7)13/h1-5H,(H,11,12)
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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 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 XIII


(Mus musculus (mouse))
BDBM50131066
PNG
(2-Oxo-2H-chromene-3-carboxylic acid | CHEMBL83294)
Show SMILES OC(=O)c1cc2ccccc2oc1=O
Show InChI InChI=1S/C10H6O4/c11-9(12)7-5-6-3-1-2-4-8(6)14-10(7)13/h1-5H,(H,11,12)
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2.03E+4n/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 VB


(Homo sapiens (Human))
BDBM50131066
PNG
(2-Oxo-2H-chromene-3-carboxylic acid | CHEMBL83294)
Show SMILES OC(=O)c1cc2ccccc2oc1=O
Show InChI InChI=1S/C10H6O4/c11-9(12)7-5-6-3-1-2-4-8(6)14-10(7)13/h1-5H,(H,11,12)
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3.43E+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)


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))
BDBM50131066
PNG
(2-Oxo-2H-chromene-3-carboxylic acid | CHEMBL83294)
Show SMILES OC(=O)c1cc2ccccc2oc1=O
Show InChI InChI=1S/C10H6O4/c11-9(12)7-5-6-3-1-2-4-8(6)14-10(7)13/h1-5H,(H,11,12)
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7.63E+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 2


(Homo sapiens (Human))
BDBM50131066
PNG
(2-Oxo-2H-chromene-3-carboxylic acid | CHEMBL83294)
Show SMILES OC(=O)c1cc2ccccc2oc1=O
Show InChI InChI=1S/C10H6O4/c11-9(12)7-5-6-3-1-2-4-8(6)14-10(7)13/h1-5H,(H,11,12)
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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
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50131066
PNG
(2-Oxo-2H-chromene-3-carboxylic acid | CHEMBL83294)
Show SMILES OC(=O)c1cc2ccccc2oc1=O
Show InChI InChI=1S/C10H6O4/c11-9(12)7-5-6-3-1-2-4-8(6)14-10(7)13/h1-5H,(H,11,12)
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n/an/a>1.00E+6n/an/an/an/an/an/a



Inha University

Curated by ChEMBL


Assay Description
Inhibition of human Protein-tyrosine phosphatase 1B


Bioorg Med Chem Lett 13: 2561-3 (2003)


BindingDB Entry DOI: 10.7270/Q2ZW1K9Q
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50131066
PNG
(2-Oxo-2H-chromene-3-carboxylic acid | CHEMBL83294)
Show SMILES OC(=O)c1cc2ccccc2oc1=O
Show InChI InChI=1S/C10H6O4/c11-9(12)7-5-6-3-1-2-4-8(6)14-10(7)13/h1-5H,(H,11,12)
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n/an/a 1.00E+5n/an/an/an/an/an/a



Dalian Institute of Chemical Physics

Curated by ChEMBL




J Med Chem 60: 362-372 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01431
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50131066
PNG
(2-Oxo-2H-chromene-3-carboxylic acid | CHEMBL83294)
Show SMILES OC(=O)c1cc2ccccc2oc1=O
Show InChI InChI=1S/C10H6O4/c11-9(12)7-5-6-3-1-2-4-8(6)14-10(7)13/h1-5H,(H,11,12)
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n/an/an/an/a 9.23E+4n/an/an/an/a



Dalian Institute of Chemical Physics

Curated by ChEMBL




J Med Chem 60: 362-372 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01431
More data for this
Ligand-Target Pair