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BDBM50027536 (phosphonoformate)Trisodium phosphonoformate::Antiviral agent : Inhibitor of reverse transcriptase of Human T-cell lymphotropic, virus type III, useful in the treatment of HSV-1 infections::CHEMBL754::EHB-776::FOSCARNET SODIUM::Foscarnet::Foscavir::phosphonoformate trisodium salt::trisodium dioxidophosphinecarboxylate oxide::trisodium dioxidophosphinecarboxylate oxide with 6 molecules of water(foscarnet)::trisodium phosphonoformate

SMILES: [O-]C(=O)P([O-])([O-])=O

InChI Key: InChIKey=ZJAOAACCNHFJAH-UHFFFAOYSA-K

Data: 14 KI  3 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 21 hits for monomerid = 50027536   
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 7


(Homo sapiens (Human))
BDBM50027536
PNG
((phosphonoformate)Trisodium phosphonoformate | Ant...)
Show SMILES [O-]C(=O)P([O-])([O-])=O
Show InChI InChI=1S/CH3O5P/c2-1(3)7(4,5)6/h(H,2,3)(H2,4,5,6)/p-3
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5.60E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA7 by CO2 hydration assay


Bioorg Med Chem Lett 17: 2210-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.113
BindingDB Entry DOI: 10.7270/Q21C1XP7
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50027536
PNG
((phosphonoformate)Trisodium phosphonoformate | Ant...)
Show SMILES [O-]C(=O)P([O-])([O-])=O
Show InChI InChI=1S/CH3O5P/c2-1(3)7(4,5)6/h(H,2,3)(H2,4,5,6)/p-3
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8.20E+5n/an/an/an/an/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Inhibition constant of anion against human carbonic anhydrase isozyme hCA IV


Bioorg Med Chem Lett 14: 5763-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.064
BindingDB Entry DOI: 10.7270/Q2V40TPN
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50027536
PNG
((phosphonoformate)Trisodium phosphonoformate | Ant...)
Show SMILES [O-]C(=O)P([O-])([O-])=O
Show InChI InChI=1S/CH3O5P/c2-1(3)7(4,5)6/h(H,2,3)(H2,4,5,6)/p-3
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8.20E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA4 by CO2 hydration assay


Bioorg Med Chem Lett 17: 2210-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.113
BindingDB Entry DOI: 10.7270/Q21C1XP7
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIII


(Mus musculus (mouse))
BDBM50027536
PNG
((phosphonoformate)Trisodium phosphonoformate | Ant...)
Show SMILES [O-]C(=O)P([O-])([O-])=O
Show InChI InChI=1S/CH3O5P/c2-1(3)7(4,5)6/h(H,2,3)(H2,4,5,6)/p-3
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8.70E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant CA13 by CO2 hydration assay


Bioorg Med Chem Lett 17: 2210-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.113
BindingDB Entry DOI: 10.7270/Q21C1XP7
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50027536
PNG
((phosphonoformate)Trisodium phosphonoformate | Ant...)
Show SMILES [O-]C(=O)P([O-])([O-])=O
Show InChI InChI=1S/CH3O5P/c2-1(3)7(4,5)6/h(H,2,3)(H2,4,5,6)/p-3
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1.29E+6n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA12 by CO2 hydration assay


Bioorg Med Chem Lett 17: 2210-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.113
BindingDB Entry DOI: 10.7270/Q21C1XP7
More data for this
Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI)


(Homo sapiens (Human))
BDBM50027536
PNG
((phosphonoformate)Trisodium phosphonoformate | Ant...)
Show SMILES [O-]C(=O)P([O-])([O-])=O
Show InChI InChI=1S/CH3O5P/c2-1(3)7(4,5)6/h(H,2,3)(H2,4,5,6)/p-3
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1.81E+6n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA6 by CO2 hydration assay


Bioorg Med Chem Lett 17: 2210-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.113
BindingDB Entry DOI: 10.7270/Q21C1XP7
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50027536
PNG
((phosphonoformate)Trisodium phosphonoformate | Ant...)
Show SMILES [O-]C(=O)P([O-])([O-])=O
Show InChI InChI=1S/CH3O5P/c2-1(3)7(4,5)6/h(H,2,3)(H2,4,5,6)/p-3
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2.21E+6n/an/an/an/an/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Inhibition constant of anion against human carbonic anhydrase isozyme hCA IX


Bioorg Med Chem Lett 14: 5763-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.064
BindingDB Entry DOI: 10.7270/Q2V40TPN
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50027536
PNG
((phosphonoformate)Trisodium phosphonoformate | Ant...)
Show SMILES [O-]C(=O)P([O-])([O-])=O
Show InChI InChI=1S/CH3O5P/c2-1(3)7(4,5)6/h(H,2,3)(H2,4,5,6)/p-3
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2.21E+6n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA9 by CO2 hydration assay


Bioorg Med Chem Lett 17: 2210-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.113
BindingDB Entry DOI: 10.7270/Q21C1XP7
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50027536
PNG
((phosphonoformate)Trisodium phosphonoformate | Ant...)
Show SMILES [O-]C(=O)P([O-])([O-])=O
Show InChI InChI=1S/CH3O5P/c2-1(3)7(4,5)6/h(H,2,3)(H2,4,5,6)/p-3
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3.60E+6n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA14 by CO2 hydration assay


Bioorg Med Chem Lett 17: 2210-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.113
BindingDB Entry DOI: 10.7270/Q21C1XP7
More data for this
Ligand-Target Pair
Carbonic Anhydrase VB


(Homo sapiens (Human))
BDBM50027536
PNG
((phosphonoformate)Trisodium phosphonoformate | Ant...)
Show SMILES [O-]C(=O)P([O-])([O-])=O
Show InChI InChI=1S/CH3O5P/c2-1(3)7(4,5)6/h(H,2,3)(H2,4,5,6)/p-3
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1.18E+7n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA5B by CO2 hydration assay


Bioorg Med Chem Lett 17: 2210-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.113
BindingDB Entry DOI: 10.7270/Q21C1XP7
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50027536
PNG
((phosphonoformate)Trisodium phosphonoformate | Ant...)
Show SMILES [O-]C(=O)P([O-])([O-])=O
Show InChI InChI=1S/CH3O5P/c2-1(3)7(4,5)6/h(H,2,3)(H2,4,5,6)/p-3
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1.42E+7n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA2 by CO2 hydration assay


Bioorg Med Chem Lett 17: 2210-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.113
BindingDB Entry DOI: 10.7270/Q21C1XP7
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50027536
PNG
((phosphonoformate)Trisodium phosphonoformate | Ant...)
Show SMILES [O-]C(=O)P([O-])([O-])=O
Show InChI InChI=1S/CH3O5P/c2-1(3)7(4,5)6/h(H,2,3)(H2,4,5,6)/p-3
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1.42E+7n/an/an/an/an/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Inhibition constant of anion against human carbonic anhydrase isozyme hCA II


Bioorg Med Chem Lett 14: 5763-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.064
BindingDB Entry DOI: 10.7270/Q2V40TPN
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50027536
PNG
((phosphonoformate)Trisodium phosphonoformate | Ant...)
Show SMILES [O-]C(=O)P([O-])([O-])=O
Show InChI InChI=1S/CH3O5P/c2-1(3)7(4,5)6/h(H,2,3)(H2,4,5,6)/p-3
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2.41E+7n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of cloned human CA1 by CO2 hydration assay


Bioorg Med Chem Lett 17: 2210-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.113
BindingDB Entry DOI: 10.7270/Q21C1XP7
More data for this
Ligand-Target Pair
Carbonic Anhydrase VA


(Homo sapiens (Human))
BDBM50027536
PNG
((phosphonoformate)Trisodium phosphonoformate | Ant...)
Show SMILES [O-]C(=O)P([O-])([O-])=O
Show InChI InChI=1S/CH3O5P/c2-1(3)7(4,5)6/h(H,2,3)(H2,4,5,6)/p-3
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4.17E+7n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA5A by CO2 hydration assay


Bioorg Med Chem Lett 17: 2210-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.113
BindingDB Entry DOI: 10.7270/Q21C1XP7
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 4


(Homo sapiens (Human))
BDBM50027536
PNG
((phosphonoformate)Trisodium phosphonoformate | Ant...)
Show SMILES [O-]C(=O)P([O-])([O-])=O
Show InChI InChI=1S/CH3O5P/c2-1(3)7(4,5)6/h(H,2,3)(H2,4,5,6)/p-3
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n/an/a 1.33E+5n/an/an/an/an/an/a



* Department of Comparative Biology and Safety Sciences, Discovery Toxicology.

Curated by ChEMBL




Toxicol Sci 136: 216-41 (2013)

More data for this
Ligand-Target Pair
Canalicular multispecific organic anion transporter 2


(Homo sapiens (Human))
BDBM50027536
PNG
((phosphonoformate)Trisodium phosphonoformate | Ant...)
Show SMILES [O-]C(=O)P([O-])([O-])=O
Show InChI InChI=1S/CH3O5P/c2-1(3)7(4,5)6/h(H,2,3)(H2,4,5,6)/p-3
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n/an/a 1.33E+5n/an/an/an/an/an/a



* Department of Comparative Biology and Safety Sciences, Discovery Toxicology.

Curated by ChEMBL




Toxicol Sci 136: 216-41 (2013)

More data for this
Ligand-Target Pair
Canalicular multispecific organic anion transporter 1


(Homo sapiens (Human))
BDBM50027536
PNG
((phosphonoformate)Trisodium phosphonoformate | Ant...)
Show SMILES [O-]C(=O)P([O-])([O-])=O
Show InChI InChI=1S/CH3O5P/c2-1(3)7(4,5)6/h(H,2,3)(H2,4,5,6)/p-3
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n/an/a 1.33E+5n/an/an/an/an/an/a



* Department of Comparative Biology and Safety Sciences, Discovery Toxicology.

Curated by ChEMBL




Toxicol Sci 136: 216-41 (2013)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50027536
PNG
((phosphonoformate)Trisodium phosphonoformate | Ant...)
Show SMILES [O-]C(=O)P([O-])([O-])=O
Show InChI InChI=1S/CH3O5P/c2-1(3)7(4,5)6/h(H,2,3)(H2,4,5,6)/p-3
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n/an/a 2.03E+3n/an/an/an/an/an/a



Life Science Research Center

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 reverse transcriptase


J Med Chem 40: 2363-73 (1997)


Article DOI: 10.1021/jm9607921
BindingDB Entry DOI: 10.7270/Q2TB161T
More data for this
Ligand-Target Pair
Bile salt export pump


(Homo sapiens (Human))
BDBM50027536
PNG
((phosphonoformate)Trisodium phosphonoformate | Ant...)
Show SMILES [O-]C(=O)P([O-])([O-])=O
Show InChI InChI=1S/CH3O5P/c2-1(3)7(4,5)6/h(H,2,3)(H2,4,5,6)/p-3
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n/an/a 1.33E+5n/an/an/an/an/an/a



* Department of Comparative Biology and Safety Sciences, Discovery Toxicology.

Curated by ChEMBL




Toxicol Sci 136: 216-41 (2013)

More data for this
Ligand-Target Pair
Human herpesvirus 1 DNA polymerase


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM50027536
PNG
((phosphonoformate)Trisodium phosphonoformate | Ant...)
Show SMILES [O-]C(=O)P([O-])([O-])=O
Show InChI InChI=1S/CH3O5P/c2-1(3)7(4,5)6/h(H,2,3)(H2,4,5,6)/p-3
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n/an/a 7.40E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of HSV-1 DNA polymerase in HSV-1 C42 plaque reduction assay


J Med Chem 26: 264-70 (1983)


BindingDB Entry DOI: 10.7270/Q2RN36VT
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50027536
PNG
((phosphonoformate)Trisodium phosphonoformate | Ant...)
Show SMILES [O-]C(=O)P([O-])([O-])=O
Show InChI InChI=1S/CH3O5P/c2-1(3)7(4,5)6/h(H,2,3)(H2,4,5,6)/p-3
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n/an/a 1.76E+4n/an/an/an/an/an/a



Life Science Research Center

Curated by ChEMBL


Assay Description
Inhibitory effect of the compound on Molony Murine Leukemia virus (mo-MuLv) Recombiannt Reverse transcriptase


J Med Chem 40: 2363-73 (1997)


Article DOI: 10.1021/jm9607921
BindingDB Entry DOI: 10.7270/Q2TB161T
More data for this
Ligand-Target Pair