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BDBM50011181 (PFA)dihydroxyphosphinecarboxylic acid oxide::CHEMBL666::FOSCARNET::Forscarnet::Foscarnet (PFA)::Foscavir::Phosphono-formic acid(PFA)::Phosphonoformate::dihydroxyphosphinecarboxylic acid oxide::dihydroxyphosphinecarboxylic acid oxide(PFA)::phosphonoformic acid(PFA)

SMILES: OC(=O)P(O)(O)=O

InChI Key: InChIKey=ZJAOAACCNHFJAH-UHFFFAOYSA-N

Data: 4 KI  14 IC50  2 Kd

PDB links: 8 PDB IDs match this monomer.

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 20 hits for monomerid = 50011181   
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 4


(Homo sapiens (Human))
BDBM50011181
PNG
((PFA)dihydroxyphosphinecarboxylic acid oxide | CHE...)
Show SMILES OC(=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)
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PubMed
8.20E+5n/an/an/an/an/an/an/an/a



University of Montpellier

Curated by ChEMBL


Assay Description
Binding affinity towards human membrane associated carbonic anhydrase IV


Bioorg Med Chem Lett 15: 1683-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.049
BindingDB Entry DOI: 10.7270/Q2NC60PJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50011181
PNG
((PFA)dihydroxyphosphinecarboxylic acid oxide | CHE...)
Show SMILES OC(=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)
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PubMed
2.21E+6n/an/an/an/an/an/an/an/a



University of Montpellier

Curated by ChEMBL


Assay Description
Binding affinity owards recombinant human transmembrane carbonic anhydrase IX


Bioorg Med Chem Lett 15: 1683-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.049
BindingDB Entry DOI: 10.7270/Q2NC60PJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50011181
PNG
((PFA)dihydroxyphosphinecarboxylic acid oxide | CHE...)
Show SMILES OC(=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)
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PubMed
1.42E+7n/an/an/an/an/an/an/an/a



University of Montpellier

Curated by ChEMBL


Assay Description
Binding affinity towards human cytosolic carbonic anhydrase II


Bioorg Med Chem Lett 15: 1683-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.049
BindingDB Entry DOI: 10.7270/Q2NC60PJ
More data for this
Ligand-Target Pair
Carbonic Anhydrase VA


(Homo sapiens (Human))
BDBM50011181
PNG
((PFA)dihydroxyphosphinecarboxylic acid oxide | CHE...)
Show SMILES OC(=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)
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4.17E+7n/an/an/an/an/an/an/an/a



University of Montpellier

Curated by ChEMBL


Assay Description
Binding affinity towards recombinant human mitochondrial carbonic anhydrase V


Bioorg Med Chem Lett 15: 1683-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.049
BindingDB Entry DOI: 10.7270/Q2NC60PJ
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50011181
PNG
((PFA)dihydroxyphosphinecarboxylic acid oxide | CHE...)
Show SMILES OC(=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)
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n/an/a 5.20E+3n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of wild type HIV1 reverse transcriptase E89T mutant assessed as inhibition of DNA primer extension using [8-3H(N)]-dATP by scintillation p...


J Med Chem 57: 7435-49 (2014)


Article DOI: 10.1021/jm501010f
BindingDB Entry DOI: 10.7270/Q20R9R32
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50011181
PNG
((PFA)dihydroxyphosphinecarboxylic acid oxide | CHE...)
Show SMILES OC(=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)
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n/an/a 800n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of wild type HIV1 reverse transcriptase M184V mutant assessed as inhibition of DNA primer extension using [8-3H(N)]-dATP by scintillation ...


J Med Chem 57: 7435-49 (2014)


Article DOI: 10.1021/jm501010f
BindingDB Entry DOI: 10.7270/Q20R9R32
More data for this
Ligand-Target Pair
DNA polymerase alpha subunit


(Homo sapiens (Human))
BDBM50011181
PNG
((PFA)dihydroxyphosphinecarboxylic acid oxide | CHE...)
Show SMILES OC(=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)
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n/an/a>2.00E+4n/an/an/an/a7.5n/a



Pharmacia Corporation

Curated by ChEMBL


Assay Description
Inhibition of human alpha DNA polymerase (95 uL) activity in a solution containg 6.4 mM HEPES (pH 7.5) upon incubation for 12 minutes at 26 degrees C...


J Med Chem 48: 5794-804 (2005)


Article DOI: 10.1021/jm050162b
BindingDB Entry DOI: 10.7270/Q2G44R39
More data for this
Ligand-Target Pair
DNA polymerase


(Human cytomegalovirus (HCMV strain AD169) )
BDBM50011181
PNG
((PFA)dihydroxyphosphinecarboxylic acid oxide | CHE...)
Show SMILES OC(=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)
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n/an/a 2.50E+3n/an/an/an/a7.5n/a



Pharmacia Corporation

Curated by ChEMBL


Assay Description
Inhibition of human cytomegalovirus DNA polymerase (95 uL) activity in a solution containing 6.4 mM HEPES (pH 7.5), incubation for 12 minutes at 26 d...


J Med Chem 48: 5794-804 (2005)


Article DOI: 10.1021/jm050162b
BindingDB Entry DOI: 10.7270/Q2G44R39
More data for this
Ligand-Target Pair
DNA polymerase delta subunit 1


(Homo sapiens (Human))
BDBM50011181
PNG
((PFA)dihydroxyphosphinecarboxylic acid oxide | CHE...)
Show SMILES OC(=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)
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n/an/a>2.00E+4n/an/an/an/a7.5n/a



Pharmacia Corporation

Curated by ChEMBL


Assay Description
Inhibition of human delta DNA polymerase (95 uL) activity in a solution containg 6.4 mM HEPES (pH 7.5) upon incubation for 12 minutes at 26 degrees C...


J Med Chem 48: 5794-804 (2005)


Article DOI: 10.1021/jm050162b
BindingDB Entry DOI: 10.7270/Q2G44R39
More data for this
Ligand-Target Pair
DNA polymerase


(Varicella-zoster virus (strain Dumas) (HHV-3) (Hum...)
BDBM50011181
PNG
((PFA)dihydroxyphosphinecarboxylic acid oxide | CHE...)
Show SMILES OC(=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)
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n/an/a<280n/an/an/an/a7.5n/a



Pharmacia Corporation

Curated by ChEMBL


Assay Description
Inhibition of Varicella-Zoster virus DNA polymerase (95 uL) activity in a solution containing 6.4 mM HEPES (pH 7.5), incubation for 12 minutes at 26 ...


J Med Chem 48: 5794-804 (2005)


Article DOI: 10.1021/jm050162b
BindingDB Entry DOI: 10.7270/Q2G44R39
More data for this
Ligand-Target Pair
DNA polymerase


(Human cytomegalovirus (HCMV strain AD169) )
BDBM50011181
PNG
((PFA)dihydroxyphosphinecarboxylic acid oxide | CHE...)
Show SMILES OC(=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)
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PubMed
n/an/a 2.50E+3n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of HCMV DNA polymerase by scintillation proximity assay


Bioorg Med Chem Lett 17: 3349-53 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.102
BindingDB Entry DOI: 10.7270/Q2HX1DHN
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50011181
PNG
((PFA)dihydroxyphosphinecarboxylic acid oxide | CHE...)
Show SMILES OC(=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)
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n/an/a 800n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase p66/p51 polymerase using PPT57 DNA/Cy5-labeled PPT24 as template/primer preincubated for 10 mins followed by...


Bioorg Med Chem 26: 1713-1726 (2018)


BindingDB Entry DOI: 10.7270/Q270842C
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50011181
PNG
((PFA)dihydroxyphosphinecarboxylic acid oxide | CHE...)
Show SMILES OC(=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)
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n/an/an/a 400n/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Binding affinity to HIV1 reverse transcriptase p66/p51-polypurine tract primer complex in presence of Mg2+ ions by band shift assay


J Biol Chem 282: 3337-46 (2007)


BindingDB Entry DOI: 10.7270/Q2T43WW0
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50011181
PNG
((PFA)dihydroxyphosphinecarboxylic acid oxide | CHE...)
Show SMILES OC(=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)
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n/an/an/a 1.39E+4n/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Binding affinity to HIV1 reverse transcriptase p66/p51-polypurine tract primer complex in absence of Mg2+ ions by band shift assay


J Biol Chem 282: 3337-46 (2007)


BindingDB Entry DOI: 10.7270/Q2T43WW0
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50011181
PNG
((PFA)dihydroxyphosphinecarboxylic acid oxide | CHE...)
Show SMILES OC(=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)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HIV1 RT mediated DNA-dependent DNA synthesis initiation using RNA/DNAM duplex primed substrate by scintillation proximity assay


J Biol Chem 282: 8005-10 (2007)


BindingDB Entry DOI: 10.7270/Q2PG1VH3
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50011181
PNG
((PFA)dihydroxyphosphinecarboxylic acid oxide | CHE...)
Show SMILES OC(=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)
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n/an/a 2.80E+3n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of wild type HIV1 reverse transcriptase K65R mutant assessed as inhibition of DNA primer extension using [8-3H(N)]-dATP by scintillation p...


J Med Chem 57: 7435-49 (2014)


Article DOI: 10.1021/jm501010f
BindingDB Entry DOI: 10.7270/Q20R9R32
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50011181
PNG
((PFA)dihydroxyphosphinecarboxylic acid oxide | CHE...)
Show SMILES OC(=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)
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n/an/a 2.50E+3n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of wild type HIV1 reverse transcriptase assessed as inhibition of DNA primer extension using [8-3H(N)]-dATP by scintillation proximity ass...


J Med Chem 57: 7435-49 (2014)


Article DOI: 10.1021/jm501010f
BindingDB Entry DOI: 10.7270/Q20R9R32
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50011181
PNG
((PFA)dihydroxyphosphinecarboxylic acid oxide | CHE...)
Show SMILES OC(=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)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HIV1 RT mediated DNA-dependent DNA synthesis initiation using RNA PPT primed substrate by scintillation proximity assay


J Biol Chem 282: 8005-10 (2007)


BindingDB Entry DOI: 10.7270/Q2PG1VH3
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50011181
PNG
((PFA)dihydroxyphosphinecarboxylic acid oxide | CHE...)
Show SMILES OC(=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)
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n/an/a 2.40E+4n/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Inhibitory concentration against wild type HIV-1 reverse transcriptase (RT) using poly rC.dG as the template or primer


J Med Chem 47: 3418-26 (2004)


Article DOI: 10.1021/jm031045o
BindingDB Entry DOI: 10.7270/Q2B857KW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50011181
PNG
((PFA)dihydroxyphosphinecarboxylic acid oxide | CHE...)
Show SMILES OC(=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)
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n/an/a 5.60E+4n/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Inhibitory concentration against wild type HIV-1/138Lys reverse transcriptase (RT) using [3H]dGTP as a radioligand


J Med Chem 47: 3418-26 (2004)


Article DOI: 10.1021/jm031045o
BindingDB Entry DOI: 10.7270/Q2B857KW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)