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BDBM50050775 ACESULFAME POTASSIUM::Acesulfame Potassium::E950

SMILES: [K+].CC1=CC(=O)[N-]S(=O)(=O)O1

InChI Key: InChIKey=YGCFIWIQZPHFLU-UHFFFAOYSA-M

Data: 12 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 12 hits for monomerid = 50050775   
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 9


(Homo sapiens (Human))
BDBM50050775
PNG
(ACESULFAME POTASSIUM | Acesulfame Potassium | E950)
Show SMILES [K+].CC1=CC(=O)[N-]S(=O)(=O)O1 |t:1|
Show InChI InChI=1S/C4H5NO4S/c1-3-2-4(6)5-10(7,8)9-3/h2H,1H3,(H,5,6)/p-1
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2.40E+3n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 expressed in Escherichia coli L21-GOLD (DE3) incubated for 10 mins prior to testing by stopped-f...


J Med Chem 61: 1176-1181 (2018)


BindingDB Entry DOI: 10.7270/Q2MG7RXW
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50050775
PNG
(ACESULFAME POTASSIUM | Acesulfame Potassium | E950)
Show SMILES [K+].CC1=CC(=O)[N-]S(=O)(=O)O1 |t:1|
Show InChI InChI=1S/C4H5NO4S/c1-3-2-4(6)5-10(7,8)9-3/h2H,1H3,(H,5,6)/p-1
PDB
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2.41E+3n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50050775
PNG
(ACESULFAME POTASSIUM | Acesulfame Potassium | E950)
Show SMILES [K+].CC1=CC(=O)[N-]S(=O)(=O)O1 |t:1|
Show InChI InChI=1S/C4H5NO4S/c1-3-2-4(6)5-10(7,8)9-3/h2H,1H3,(H,5,6)/p-1
PDB
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Article
PubMed
2.41E+3n/an/an/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


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


Eur J Med Chem 84: 240-6 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.014
BindingDB Entry DOI: 10.7270/Q2BR8TT1
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50050775
PNG
(ACESULFAME POTASSIUM | Acesulfame Potassium | E950)
Show SMILES [K+].CC1=CC(=O)[N-]S(=O)(=O)O1 |t:1|
Show InChI InChI=1S/C4H5NO4S/c1-3-2-4(6)5-10(7,8)9-3/h2H,1H3,(H,5,6)/p-1
PDB
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Article
PubMed
>2.00E+4n/an/an/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


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


Eur J Med Chem 84: 240-6 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.014
BindingDB Entry DOI: 10.7270/Q2BR8TT1
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50050775
PNG
(ACESULFAME POTASSIUM | Acesulfame Potassium | E950)
Show SMILES [K+].CC1=CC(=O)[N-]S(=O)(=O)O1 |t:1|
Show InChI InChI=1S/C4H5NO4S/c1-3-2-4(6)5-10(7,8)9-3/h2H,1H3,(H,5,6)/p-1
PDB
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>2.00E+4n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50050775
PNG
(ACESULFAME POTASSIUM | Acesulfame Potassium | E950)
Show SMILES [K+].CC1=CC(=O)[N-]S(=O)(=O)O1 |t:1|
Show InChI InChI=1S/C4H5NO4S/c1-3-2-4(6)5-10(7,8)9-3/h2H,1H3,(H,5,6)/p-1
PDB
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>2.00E+4n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 expressed in Escherichia coli L21-GOLD (DE3) incubated for 10 mins prior to testing by stopped-...


J Med Chem 61: 1176-1181 (2018)


BindingDB Entry DOI: 10.7270/Q2MG7RXW
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50050775
PNG
(ACESULFAME POTASSIUM | Acesulfame Potassium | E950)
Show SMILES [K+].CC1=CC(=O)[N-]S(=O)(=O)O1 |t:1|
Show InChI InChI=1S/C4H5NO4S/c1-3-2-4(6)5-10(7,8)9-3/h2H,1H3,(H,5,6)/p-1
PDB
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PubMed
>2.00E+4n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50050775
PNG
(ACESULFAME POTASSIUM | Acesulfame Potassium | E950)
Show SMILES [K+].CC1=CC(=O)[N-]S(=O)(=O)O1 |t:1|
Show InChI InChI=1S/C4H5NO4S/c1-3-2-4(6)5-10(7,8)9-3/h2H,1H3,(H,5,6)/p-1
PDB
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Article
PubMed
>2.00E+4n/an/an/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


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


Eur J Med Chem 84: 240-6 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.014
BindingDB Entry DOI: 10.7270/Q2BR8TT1
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50050775
PNG
(ACESULFAME POTASSIUM | Acesulfame Potassium | E950)
Show SMILES [K+].CC1=CC(=O)[N-]S(=O)(=O)O1 |t:1|
Show InChI InChI=1S/C4H5NO4S/c1-3-2-4(6)5-10(7,8)9-3/h2H,1H3,(H,5,6)/p-1
PDB
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Article
PubMed
>2.00E+4n/an/an/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


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


Eur J Med Chem 84: 240-6 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.014
BindingDB Entry DOI: 10.7270/Q2BR8TT1
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50050775
PNG
(ACESULFAME POTASSIUM | Acesulfame Potassium | E950)
Show SMILES [K+].CC1=CC(=O)[N-]S(=O)(=O)O1 |t:1|
Show InChI InChI=1S/C4H5NO4S/c1-3-2-4(6)5-10(7,8)9-3/h2H,1H3,(H,5,6)/p-1
PDB
MMDB

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PubMed
>2.00E+4n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 expressed in Escherichia coli L21-GOLD (DE3) incubated for 10 mins prior to testing by stopped-f...


J Med Chem 61: 1176-1181 (2018)


BindingDB Entry DOI: 10.7270/Q2MG7RXW
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50050775
PNG
(ACESULFAME POTASSIUM | Acesulfame Potassium | E950)
Show SMILES [K+].CC1=CC(=O)[N-]S(=O)(=O)O1 |t:1|
Show InChI InChI=1S/C4H5NO4S/c1-3-2-4(6)5-10(7,8)9-3/h2H,1H3,(H,5,6)/p-1
PDB
MMDB

NCI pathway
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KEGG

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PC cid
PC sid
UniChem

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PubMed
>2.00E+4n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 expressed in Escherichia coli L21-GOLD (DE3) incubated for 10 mins prior to testing by stopped-f...


J Med Chem 61: 1176-1181 (2018)


BindingDB Entry DOI: 10.7270/Q2MG7RXW
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50050775
PNG
(ACESULFAME POTASSIUM | Acesulfame Potassium | E950)
Show SMILES [K+].CC1=CC(=O)[N-]S(=O)(=O)O1 |t:1|
Show InChI InChI=1S/C4H5NO4S/c1-3-2-4(6)5-10(7,8)9-3/h2H,1H3,(H,5,6)/p-1
PDB
MMDB

NCI pathway
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KEGG

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PC sid
UniChem

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PubMed
>2.00E+4n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair