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PubMed code 15501037

Compile data set for download or QSAR
Found 27 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 4


(Homo sapiens (Human))
BDBM50155537
PNG
(CHEMBL363100 | Na3PO4 | Trinatriumphosphat | phosp...)
Show SMILES [O-]P([O-])([O-])=O
Show InChI InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
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Article
PubMed
84n/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 1


(Homo sapiens (Human))
BDBM50155535
PNG
(CHEMBL186043 | Carbamoyl phosphate; di sodium)
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)/p-2
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PubMed
9.40E+3n/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 I


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))
BDBM50080995
PNG
(CHEMBL1060 | Dibasic sodium phosphate | Disodium p...)
Show SMILES OP([O-])([O-])=O
Show InChI InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-2
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PubMed
9.80E+3n/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))
BDBM50155535
PNG
(CHEMBL186043 | Carbamoyl phosphate; di sodium)
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)/p-2
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PubMed
9.90E+3n/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 2


(Homo sapiens (Human))
BDBM50155535
PNG
(CHEMBL186043 | Carbamoyl phosphate; di sodium)
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)/p-2
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PubMed
3.10E+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 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 2


(Homo sapiens (Human))
BDBM50155537
PNG
(CHEMBL363100 | Na3PO4 | Trinatriumphosphat | phosp...)
Show SMILES [O-]P([O-])([O-])=O
Show InChI InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
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PubMed
5.30E+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 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 9


(Homo sapiens (Human))
BDBM50155537
PNG
(CHEMBL363100 | Na3PO4 | Trinatriumphosphat | phosp...)
Show SMILES [O-]P([O-])([O-])=O
Show InChI InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
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PubMed
5.60E+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 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 1


(Homo sapiens (Human))
BDBM50155537
PNG
(CHEMBL363100 | Na3PO4 | Trinatriumphosphat | phosp...)
Show SMILES [O-]P([O-])([O-])=O
Show InChI InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
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PubMed
7.80E+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 I


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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PubMed
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 9


(Homo sapiens (Human))
BDBM50155538
PNG
(CHEMBL183491 | Sodium; formate | sodium formate)
Show SMILES [O-]C=O
Show InChI InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)/p-1
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PubMed
1.22E+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 4


(Homo sapiens (Human))
BDBM50155538
PNG
(CHEMBL183491 | Sodium; formate | sodium formate)
Show SMILES [O-]C=O
Show InChI InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)/p-1
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PubMed
1.25E+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 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 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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PubMed
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 2


(Homo sapiens (Human))
BDBM50155534
PNG
(CHEMBL1368 | NaH2PO4 | monosodium phosphate | phos...)
Show SMILES OP(O)([O-])=O
Show InChI InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-1
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PubMed
3.06E+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 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 9


(Homo sapiens (Human))
BDBM50155535
PNG
(CHEMBL186043 | Carbamoyl phosphate; di sodium)
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)/p-2
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PubMed
3.06E+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))
BDBM50080995
PNG
(CHEMBL1060 | Dibasic sodium phosphate | Disodium p...)
Show SMILES OP([O-])([O-])=O
Show InChI InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-2
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PubMed
3.67E+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 4


(Homo sapiens (Human))
BDBM26987
PNG
(CHEMBL180485 | CO3(2-) | SODIUM CARBONATE | carbon...)
Show SMILES [O-]C([O-])=O
Show InChI InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-2
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PubMed
5.70E+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 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))
BDBM26986
PNG
(CHEMBL363707 | HCO3- | SODIUM BICARBONATE | bicarb...)
Show SMILES OC([O-])=O
Show InChI InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-1
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PubMed
6.60E+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 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))
BDBM50155534
PNG
(CHEMBL1368 | NaH2PO4 | monosodium phosphate | phos...)
Show SMILES OP(O)([O-])=O
Show InChI InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-1
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PubMed
7.57E+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 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 1


(Homo sapiens (Human))
BDBM26986
PNG
(CHEMBL363707 | HCO3- | SODIUM BICARBONATE | bicarb...)
Show SMILES OC([O-])=O
Show InChI InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-1
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PubMed
1.20E+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 I


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
3D
3D Structure (crystal)
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM26986
PNG
(CHEMBL363707 | HCO3- | SODIUM BICARBONATE | bicarb...)
Show SMILES OC([O-])=O
Show InChI InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-1
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PubMed
1.30E+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 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 2


(Homo sapiens (Human))
BDBM50080995
PNG
(CHEMBL1060 | Dibasic sodium phosphate | Disodium p...)
Show SMILES OP([O-])([O-])=O
Show InChI InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-2
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PubMed
1.32E+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 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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PubMed
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))
BDBM26987
PNG
(CHEMBL180485 | CO3(2-) | SODIUM CARBONATE | carbon...)
Show SMILES [O-]C([O-])=O
Show InChI InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-2
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1.50E+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 I


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))
BDBM50155534
PNG
(CHEMBL1368 | NaH2PO4 | monosodium phosphate | phos...)
Show SMILES OP(O)([O-])=O
Show InChI InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-1
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PubMed
2.11E+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 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 2


(Homo sapiens (Human))
BDBM50155538
PNG
(CHEMBL183491 | Sodium; formate | sodium formate)
Show SMILES [O-]C=O
Show InChI InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)/p-1
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2.40E+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 2


(Homo sapiens (Human))
BDBM26987
PNG
(CHEMBL180485 | CO3(2-) | SODIUM CARBONATE | carbon...)
Show SMILES [O-]C([O-])=O
Show InChI InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-2
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PubMed
7.30E+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
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM26986
PNG
(CHEMBL363707 | HCO3- | SODIUM BICARBONATE | bicarb...)
Show SMILES OC([O-])=O
Show InChI InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-1
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PubMed
8.50E+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
3D
3D Structure (crystal)
* indicates data uncertainty>20%