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PubMed code 20833546

Compile data set for download or QSAR
Found 6 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))
BDBM50240416
PNG
(CHEMBL23838 | O,O-diethyl O-p-nitrophenyl phosphat...)
Show SMILES CCOP(=O)(OCC)Oc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C10H14NO6P/c1-3-15-18(14,16-4-2)17-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3
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Article
PubMed
n/an/a 59n/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of esterase activity of human carbonic anhydrase 2 by CO2 hydration method


Bioorg Med Chem Lett 20: 6208-12 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.110
BindingDB Entry DOI: 10.7270/Q24X581T
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM24514
PNG
(4-nitrophenoxyphosphonic acid | 4-nitrophenyl phos...)
Show SMILES OP(O)(=O)Oc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C6H6NO6P/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12/h1-4H,(H2,10,11,12)
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Article
PubMed
n/an/a 63n/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of esterase activity of human carbonic anhydrase 2 by CO2 hydration method


Bioorg Med Chem Lett 20: 6208-12 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.110
BindingDB Entry DOI: 10.7270/Q24X581T
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM24514
PNG
(4-nitrophenoxyphosphonic acid | 4-nitrophenyl phos...)
Show SMILES OP(O)(=O)Oc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C6H6NO6P/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12/h1-4H,(H2,10,11,12)
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Article
PubMed
n/an/a 330n/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of esterase activity of human carbonic anhydrase 1 by CO2 hydration method


Bioorg Med Chem Lett 20: 6208-12 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.110
BindingDB Entry DOI: 10.7270/Q24X581T
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50240416
PNG
(CHEMBL23838 | O,O-diethyl O-p-nitrophenyl phosphat...)
Show SMILES CCOP(=O)(OCC)Oc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C10H14NO6P/c1-3-15-18(14,16-4-2)17-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3
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Article
PubMed
n/an/a 338n/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of esterase activity of human carbonic anhydrase 1 by CO2 hydration method


Bioorg Med Chem Lett 20: 6208-12 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.110
BindingDB Entry DOI: 10.7270/Q24X581T
More data for this
Ligand-Target Pair
Carbonic anhydrase 13


(Mus musculus (mouse))
BDBM50240416
PNG
(CHEMBL23838 | O,O-diethyl O-p-nitrophenyl phosphat...)
Show SMILES CCOP(=O)(OCC)Oc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C10H14NO6P/c1-3-15-18(14,16-4-2)17-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3
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Article
PubMed
n/an/a 1.02E+3n/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of esterase activity of mouse carbonic anhydrase 13 by CO2 hydration method


Bioorg Med Chem Lett 20: 6208-12 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.110
BindingDB Entry DOI: 10.7270/Q24X581T
More data for this
Ligand-Target Pair
Carbonic anhydrase 13


(Mus musculus (mouse))
BDBM24514
PNG
(4-nitrophenoxyphosphonic acid | 4-nitrophenyl phos...)
Show SMILES OP(O)(=O)Oc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C6H6NO6P/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12/h1-4H,(H2,10,11,12)
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Article
PubMed
n/an/a 1.05E+3n/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of esterase activity of mouse carbonic anhydrase 13 by CO2 hydration method


Bioorg Med Chem Lett 20: 6208-12 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.110
BindingDB Entry DOI: 10.7270/Q24X581T
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%