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PubMed code 15745821

Compile data set for download or QSAR
Found 21 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50131862
PNG
(CHEMBL122938 | methylphosphonic acid)
Show SMILES CP(O)(O)=O
Show InChI InChI=1S/CH5O3P/c1-5(2,3)4/h1H3,(H2,2,3,4)
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PubMed
98n/an/an/an/an/an/an/an/a



Université Montpellier II

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
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50162814
PNG
(CHEMBL179801 | Phenyl-phosphonic acid)
Show SMILES OP(O)(=O)c1ccccc1
Show InChI InChI=1S/C6H7O3P/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)
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PubMed
99n/an/an/an/an/an/an/an/a



Université Montpellier II

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
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50162814
PNG
(CHEMBL179801 | Phenyl-phosphonic acid)
Show SMILES OP(O)(=O)c1ccccc1
Show InChI InChI=1S/C6H7O3P/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)
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PubMed
5.40E+3n/an/an/an/an/an/an/an/a



Université Montpellier II

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
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50162819
PNG
(CHEMBL369105 | Carbamyl phosphate | aminocarbonyl ...)
Show SMILES NC(=O)OP(O)(O)=O
Show InChI InChI=1S/CH4NO5P/c2-1(3)7-8(4,5)6/h(H2,2,3)(H2,4,5,6)
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PubMed
9.90E+3n/an/an/an/an/an/an/an/a



Université Montpellier II

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
More data for this
Ligand-Target Pair
Carbonic Anhydrase VA


(Homo sapiens (Human))
BDBM50162814
PNG
(CHEMBL179801 | Phenyl-phosphonic acid)
Show SMILES OP(O)(=O)c1ccccc1
Show InChI InChI=1S/C6H7O3P/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)
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PubMed
9.00E+4n/an/an/an/an/an/an/an/a



Université Montpellier II

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
More data for this
Ligand-Target Pair
Carbonic Anhydrase VA


(Homo sapiens (Human))
BDBM50131862
PNG
(CHEMBL122938 | methylphosphonic acid)
Show SMILES CP(O)(O)=O
Show InChI InChI=1S/CH5O3P/c1-5(2,3)4/h1H3,(H2,2,3,4)
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1.10E+5n/an/an/an/an/an/an/an/a



Université Montpellier II

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
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50131862
PNG
(CHEMBL122938 | methylphosphonic acid)
Show SMILES CP(O)(O)=O
Show InChI InChI=1S/CH5O3P/c1-5(2,3)4/h1H3,(H2,2,3,4)
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3.10E+5n/an/an/an/an/an/an/an/a



Université Montpellier II

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
More data for this
Ligand-Target Pair
Carbonic Anhydrase VA


(Homo sapiens (Human))
BDBM50162816
PNG
(CHEMBL180570 | Medronic acid | Methylene diphsphon...)
Show SMILES OP(O)(=O)CP(O)(O)=O
Show InChI InChI=1S/CH6O6P2/c2-8(3,4)1-9(5,6)7/h1H2,(H2,2,3,4)(H2,5,6,7)
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PubMed
7.30E+5n/an/an/an/an/an/an/an/a



Université Montpellier II

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
More data for this
Ligand-Target Pair
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



Université Montpellier II

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
More data for this
Ligand-Target Pair
Carbonic Anhydrase VA


(Homo sapiens (Human))
BDBM50162817
PNG
(2-Amino-3-phosphonooxy-butyric acid | CHEMBL369507)
Show SMILES CC(OP(O)(O)=O)C(N)C(O)=O
Show InChI InChI=1S/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)
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8.50E+5n/an/an/an/an/an/an/an/a



Université Montpellier II

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
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50162816
PNG
(CHEMBL180570 | Medronic acid | Methylene diphsphon...)
Show SMILES OP(O)(=O)CP(O)(O)=O
Show InChI InChI=1S/CH6O6P2/c2-8(3,4)1-9(5,6)7/h1H2,(H2,2,3,4)(H2,5,6,7)
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PubMed
8.60E+5n/an/an/an/an/an/an/an/a



Université Montpellier II

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
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50162817
PNG
(2-Amino-3-phosphonooxy-butyric acid | CHEMBL369507)
Show SMILES CC(OP(O)(O)=O)C(N)C(O)=O
Show InChI InChI=1S/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)
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PubMed
1.08E+6n/an/an/an/an/an/an/an/a



Université Montpellier II

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
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50162817
PNG
(2-Amino-3-phosphonooxy-butyric acid | CHEMBL369507)
Show SMILES CC(OP(O)(O)=O)C(N)C(O)=O
Show InChI InChI=1S/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)
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1.23E+6n/an/an/an/an/an/an/an/a



Université Montpellier II

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
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50162816
PNG
(CHEMBL180570 | Medronic acid | Methylene diphsphon...)
Show SMILES OP(O)(=O)CP(O)(O)=O
Show InChI InChI=1S/CH6O6P2/c2-8(3,4)1-9(5,6)7/h1H2,(H2,2,3,4)(H2,5,6,7)
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1.25E+6n/an/an/an/an/an/an/an/a



Université Montpellier II

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
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50131862
PNG
(CHEMBL122938 | methylphosphonic acid)
Show SMILES CP(O)(O)=O
Show InChI InChI=1S/CH5O3P/c1-5(2,3)4/h1H3,(H2,2,3,4)
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1.26E+6n/an/an/an/an/an/an/an/a



Université Montpellier II

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
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50162814
PNG
(CHEMBL179801 | Phenyl-phosphonic acid)
Show SMILES OP(O)(=O)c1ccccc1
Show InChI InChI=1S/C6H7O3P/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)
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2.21E+6n/an/an/an/an/an/an/an/a



Université Montpellier II

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
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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2.21E+6n/an/an/an/an/an/an/an/a



Université Montpellier II

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
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50162817
PNG
(2-Amino-3-phosphonooxy-butyric acid | CHEMBL369507)
Show SMILES CC(OP(O)(O)=O)C(N)C(O)=O
Show InChI InChI=1S/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)
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3.18E+6n/an/an/an/an/an/an/an/a



Université Montpellier II

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
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50162816
PNG
(CHEMBL180570 | Medronic acid | Methylene diphsphon...)
Show SMILES OP(O)(=O)CP(O)(O)=O
Show InChI InChI=1S/CH6O6P2/c2-8(3,4)1-9(5,6)7/h1H2,(H2,2,3,4)(H2,5,6,7)
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5.34E+6n/an/an/an/an/an/an/an/a



Université Montpellier II

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
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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1.42E+7n/an/an/an/an/an/an/an/a



Université Montpellier II

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
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



Université Montpellier II

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
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%