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BDBM50159796 2,3,5,6-F4-Benzoate::CHEMBL368444::Sodium; 2,3,5,6-tetrafluoro-benzoate::sodium 2,3,5,6-tetrafluorobenzoate

SMILES: [O-]C(=O)c1c(F)c(F)cc(F)c1F

InChI Key: InChIKey=KVLBXIOFJUWSJQ-UHFFFAOYSA-M

Data: 8 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 8 hits for monomerid = 50159796   
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 2


(Homo sapiens (Human))
BDBM50159796
PNG
(2,3,5,6-F4-Benzoate | CHEMBL368444 | Sodium; 2,3,5...)
Show SMILES [O-]C(=O)c1c(F)c(F)cc(F)c1F
Show InChI InChI=1S/C7H2F4O2/c8-2-1-3(9)6(11)4(5(2)10)7(12)13/h1H,(H,12,13)/p-1
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PC cid
PC sid
UniChem
Article
PubMed
6.00E+3n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase2


Bioorg Med Chem 17: 2654-7 (2009)


Article DOI: 10.1016/j.bmc.2009.02.058
BindingDB Entry DOI: 10.7270/Q2TD9X8C
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50159796
PNG
(2,3,5,6-F4-Benzoate | CHEMBL368444 | Sodium; 2,3,5...)
Show SMILES [O-]C(=O)c1c(F)c(F)cc(F)c1F
Show InChI InChI=1S/C7H2F4O2/c8-2-1-3(9)6(11)4(5(2)10)7(12)13/h1H,(H,12,13)/p-1
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PC sid
UniChem
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PubMed
6.00E+3n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Binding affinity against human cytosolic Carbonic anhydrase II


Bioorg Med Chem Lett 15: 573-8 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.057
BindingDB Entry DOI: 10.7270/Q2TH8M6D
More data for this
Ligand-Target Pair
β-Carbonic anhydrase (CA1)


(Flaveria bidentis (Coastal plain yellowtops))
BDBM50159796
PNG
(2,3,5,6-F4-Benzoate | CHEMBL368444 | Sodium; 2,3,5...)
Show SMILES [O-]C(=O)c1c(F)c(F)cc(F)c1F
Show InChI InChI=1S/C7H2F4O2/c8-2-1-3(9)6(11)4(5(2)10)7(12)13/h1H,(H,12,13)/p-1
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PC sid
UniChem
Article
PubMed
5.12E+4 -5.75n/an/an/an/an/a8.320



Istituto di Biostrutture e Bioimmagini-CNR



Assay Description
Inhibition constants of carboxylate inhibitors against F. bidentis CA I were determined by a stopped flow CO2 hydration assay at 20 °C.


J Enzyme Inhib Med Chem 29: 500-4 (2014)


Article DOI: 10.3109/14756366.2013.813942
BindingDB Entry DOI: 10.7270/Q2WD3ZGT
More data for this
Ligand-Target Pair
beta-Carbonic Anhydrase


(Candida albicans (Yeast))
BDBM50159796
PNG
(2,3,5,6-F4-Benzoate | CHEMBL368444 | Sodium; 2,3,5...)
Show SMILES [O-]C(=O)c1c(F)c(F)cc(F)c1F
Show InChI InChI=1S/C7H2F4O2/c8-2-1-3(9)6(11)4(5(2)10)7(12)13/h1H,(H,12,13)/p-1
PDB

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
6.16E+4n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans Nce103


Bioorg Med Chem 17: 2654-7 (2009)


Article DOI: 10.1016/j.bmc.2009.02.058
BindingDB Entry DOI: 10.7270/Q2TD9X8C
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50159796
PNG
(2,3,5,6-F4-Benzoate | CHEMBL368444 | Sodium; 2,3,5...)
Show SMILES [O-]C(=O)c1c(F)c(F)cc(F)c1F
Show InChI InChI=1S/C7H2F4O2/c8-2-1-3(9)6(11)4(5(2)10)7(12)13/h1H,(H,12,13)/p-1
PDB
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UniChem
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PubMed
7.40E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic carbonic anhydrase 1 by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 21: 2521-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.057
BindingDB Entry DOI: 10.7270/Q2X63N76
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50159796
PNG
(2,3,5,6-F4-Benzoate | CHEMBL368444 | Sodium; 2,3,5...)
Show SMILES [O-]C(=O)c1c(F)c(F)cc(F)c1F
Show InChI InChI=1S/C7H2F4O2/c8-2-1-3(9)6(11)4(5(2)10)7(12)13/h1H,(H,12,13)/p-1
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UniChem
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7.45E+4n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Binding affinity against human cytosolic Carbonic anhydrase IV


Bioorg Med Chem Lett 15: 573-8 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.057
BindingDB Entry DOI: 10.7270/Q2TH8M6D
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50159796
PNG
(2,3,5,6-F4-Benzoate | CHEMBL368444 | Sodium; 2,3,5...)
Show SMILES [O-]C(=O)c1c(F)c(F)cc(F)c1F
Show InChI InChI=1S/C7H2F4O2/c8-2-1-3(9)6(11)4(5(2)10)7(12)13/h1H,(H,12,13)/p-1
PDB
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PC sid
UniChem
Article
PubMed
7.70E+5n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Binding affinity against human cytosolic Carbonic anhydrase IX


Bioorg Med Chem Lett 15: 573-8 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.057
BindingDB Entry DOI: 10.7270/Q2TH8M6D
More data for this
Ligand-Target Pair
Carbonic Anhydrase VA


(Homo sapiens (Human))
BDBM50159796
PNG
(2,3,5,6-F4-Benzoate | CHEMBL368444 | Sodium; 2,3,5...)
Show SMILES [O-]C(=O)c1c(F)c(F)cc(F)c1F
Show InChI InChI=1S/C7H2F4O2/c8-2-1-3(9)6(11)4(5(2)10)7(12)13/h1H,(H,12,13)/p-1
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PC sid
UniChem
Article
PubMed
1.62E+6n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Binding affinity against human cytosolic Carbonic anhydrase V


Bioorg Med Chem Lett 15: 573-8 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.057
BindingDB Entry DOI: 10.7270/Q2TH8M6D
More data for this
Ligand-Target Pair