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PubMed code 16759856

Compile data set for download or QSAR
Found 9 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))
BDBM50188774
PNG
(1-(3,4-dichlorophenyl)-3-hydroxyurea | CHEMBL21334...)
Show SMILES ONC(=O)Nc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C7H6Cl2N2O2/c8-5-2-1-4(3-6(5)9)10-7(12)11-13/h1-3,13H,(H2,10,11,12)
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PubMed
310n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA2


Bioorg Med Chem Lett 16: 4316-20 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.068
BindingDB Entry DOI: 10.7270/Q2HX1C9J
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50188774
PNG
(1-(3,4-dichlorophenyl)-3-hydroxyurea | CHEMBL21334...)
Show SMILES ONC(=O)Nc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C7H6Cl2N2O2/c8-5-2-1-4(3-6(5)9)10-7(12)11-13/h1-3,13H,(H2,10,11,12)
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PubMed
540n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA9


Bioorg Med Chem Lett 16: 4316-20 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.068
BindingDB Entry DOI: 10.7270/Q2HX1C9J
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50188774
PNG
(1-(3,4-dichlorophenyl)-3-hydroxyurea | CHEMBL21334...)
Show SMILES ONC(=O)Nc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C7H6Cl2N2O2/c8-5-2-1-4(3-6(5)9)10-7(12)11-13/h1-3,13H,(H2,10,11,12)
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PubMed
890n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA4


Bioorg Med Chem Lett 16: 4316-20 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.068
BindingDB Entry DOI: 10.7270/Q2HX1C9J
More data for this
Ligand-Target Pair
Carbonic Anhydrase VA


(Homo sapiens (Human))
BDBM50188774
PNG
(1-(3,4-dichlorophenyl)-3-hydroxyurea | CHEMBL21334...)
Show SMILES ONC(=O)Nc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C7H6Cl2N2O2/c8-5-2-1-4(3-6(5)9)10-7(12)11-13/h1-3,13H,(H2,10,11,12)
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PubMed
910n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA5a


Bioorg Med Chem Lett 16: 4316-20 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.068
BindingDB Entry DOI: 10.7270/Q2HX1C9J
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50017811
PNG
(CHEMBL467 | HU | HYDROXYUREA | US10155732, Compoun...)
Show SMILES NC(=O)NO
Show InChI InChI=1S/CH4N2O2/c2-1(4)3-5/h5H,(H3,2,3,4)
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PubMed
2.30E+4n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA9


Bioorg Med Chem Lett 16: 4316-20 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.068
BindingDB Entry DOI: 10.7270/Q2HX1C9J
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50017811
PNG
(CHEMBL467 | HU | HYDROXYUREA | US10155732, Compoun...)
Show SMILES NC(=O)NO
Show InChI InChI=1S/CH4N2O2/c2-1(4)3-5/h5H,(H3,2,3,4)
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PubMed
2.80E+4n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA2


Bioorg Med Chem Lett 16: 4316-20 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.068
BindingDB Entry DOI: 10.7270/Q2HX1C9J
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic Anhydrase VA


(Homo sapiens (Human))
BDBM50017811
PNG
(CHEMBL467 | HU | HYDROXYUREA | US10155732, Compoun...)
Show SMILES NC(=O)NO
Show InChI InChI=1S/CH4N2O2/c2-1(4)3-5/h5H,(H3,2,3,4)
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PubMed
3.10E+4n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA5a


Bioorg Med Chem Lett 16: 4316-20 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.068
BindingDB Entry DOI: 10.7270/Q2HX1C9J
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50017811
PNG
(CHEMBL467 | HU | HYDROXYUREA | US10155732, Compoun...)
Show SMILES NC(=O)NO
Show InChI InChI=1S/CH4N2O2/c2-1(4)3-5/h5H,(H3,2,3,4)
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PubMed
1.13E+5n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA4


Bioorg Med Chem Lett 16: 4316-20 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.068
BindingDB Entry DOI: 10.7270/Q2HX1C9J
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50099857
PNG
(ACETOHYDROXAMIC ACID (AHA) | AHA | Acethydroxamsae...)
Show SMILES CC(=O)NO
Show InChI InChI=1S/C2H5NO2/c1-2(4)3-5/h5H,1H3,(H,3,4)
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PubMed
n/an/a 4.70E+4n/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA2


Bioorg Med Chem Lett 16: 4316-20 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.068
BindingDB Entry DOI: 10.7270/Q2HX1C9J
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
* indicates data uncertainty>20%