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Compile Data Set for Download or QSAR

Found 5 hits of ki for monomerid = 50349857   
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 12


(Homo sapiens (Human))
BDBM50349857
PNG
(CHEMBL1813219)
Show SMILES NS(=O)(=O)c1ccc(CCNc2nc(NC(CO)C(O)=O)nc(NC(CO)C(O)=O)n2)cc1
Show InChI InChI=1S/C17H23N7O8S/c18-33(31,32)10-3-1-9(2-4-10)5-6-19-15-22-16(20-11(7-25)13(27)28)24-17(23-15)21-12(8-26)14(29)30/h1-4,11-12,25-26H,5-8H2,(H,27,28)(H,29,30)(H2,18,31,32)(H3,19,20,21,22,23,24)
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7.10n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration method


Bioorg Med Chem 19: 3105-19 (2011)


Article DOI: 10.1016/j.bmc.2011.04.005
BindingDB Entry DOI: 10.7270/Q2FF3SQ6
More data for this
Ligand-Target Pair
Carbonic anhydrase 14


(Homo sapiens (Human))
BDBM50349857
PNG
(CHEMBL1813219)
Show SMILES NS(=O)(=O)c1ccc(CCNc2nc(NC(CO)C(O)=O)nc(NC(CO)C(O)=O)n2)cc1
Show InChI InChI=1S/C17H23N7O8S/c18-33(31,32)10-3-1-9(2-4-10)5-6-19-15-22-16(20-11(7-25)13(27)28)24-17(23-15)21-12(8-26)14(29)30/h1-4,11-12,25-26H,5-8H2,(H,27,28)(H,29,30)(H2,18,31,32)(H3,19,20,21,22,23,24)
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7.60n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 14 preincubated for 15 mins by CO2 hydration method


Bioorg Med Chem 19: 3105-19 (2011)


Article DOI: 10.1016/j.bmc.2011.04.005
BindingDB Entry DOI: 10.7270/Q2FF3SQ6
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50349857
PNG
(CHEMBL1813219)
Show SMILES NS(=O)(=O)c1ccc(CCNc2nc(NC(CO)C(O)=O)nc(NC(CO)C(O)=O)n2)cc1
Show InChI InChI=1S/C17H23N7O8S/c18-33(31,32)10-3-1-9(2-4-10)5-6-19-15-22-16(20-11(7-25)13(27)28)24-17(23-15)21-12(8-26)14(29)30/h1-4,11-12,25-26H,5-8H2,(H,27,28)(H,29,30)(H2,18,31,32)(H3,19,20,21,22,23,24)
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9n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by CO2 hydration method


Bioorg Med Chem 19: 3105-19 (2011)


Article DOI: 10.1016/j.bmc.2011.04.005
BindingDB Entry DOI: 10.7270/Q2FF3SQ6
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50349857
PNG
(CHEMBL1813219)
Show SMILES NS(=O)(=O)c1ccc(CCNc2nc(NC(CO)C(O)=O)nc(NC(CO)C(O)=O)n2)cc1
Show InChI InChI=1S/C17H23N7O8S/c18-33(31,32)10-3-1-9(2-4-10)5-6-19-15-22-16(20-11(7-25)13(27)28)24-17(23-15)21-12(8-26)14(29)30/h1-4,11-12,25-26H,5-8H2,(H,27,28)(H,29,30)(H2,18,31,32)(H3,19,20,21,22,23,24)
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517n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration method


Bioorg Med Chem 19: 3105-19 (2011)


Article DOI: 10.1016/j.bmc.2011.04.005
BindingDB Entry DOI: 10.7270/Q2FF3SQ6
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50349857
PNG
(CHEMBL1813219)
Show SMILES NS(=O)(=O)c1ccc(CCNc2nc(NC(CO)C(O)=O)nc(NC(CO)C(O)=O)n2)cc1
Show InChI InChI=1S/C17H23N7O8S/c18-33(31,32)10-3-1-9(2-4-10)5-6-19-15-22-16(20-11(7-25)13(27)28)24-17(23-15)21-12(8-26)14(29)30/h1-4,11-12,25-26H,5-8H2,(H,27,28)(H,29,30)(H2,18,31,32)(H3,19,20,21,22,23,24)
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PubMed
3.70E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration method


Bioorg Med Chem 19: 3105-19 (2011)


Article DOI: 10.1016/j.bmc.2011.04.005
BindingDB Entry DOI: 10.7270/Q2FF3SQ6
More data for this
Ligand-Target Pair