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PubMed code 15780637

Compile data set for download or QSAR
Found 3 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 9


(Homo sapiens (Human))
BDBM11640
PNG
(3-[(2,3,4,5,6-pentafluorophenyl)amino]-1-(4-sulfam...)
Show SMILES NS(=O)(=O)c1ccc(NC(=S)NNc2c(F)c(F)c(F)c(F)c2F)cc1
Show InChI InChI=1S/C13H9F5N4O2S2/c14-7-8(15)10(17)12(11(18)9(7)16)21-22-13(25)20-5-1-3-6(4-2-5)26(19,23)24/h1-4,21H,(H2,19,23,24)(H2,20,22,25)
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Article
PubMed
15n/an/an/an/an/an/an/an/a



University of Naples 'Federico II'

Curated by ChEMBL


Assay Description
Inhibitory constant against human Carbonic anhydrase IX


Bioorg Med Chem Lett 15: 1937-42 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.086
BindingDB Entry DOI: 10.7270/Q24749CF
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM11640
PNG
(3-[(2,3,4,5,6-pentafluorophenyl)amino]-1-(4-sulfam...)
Show SMILES NS(=O)(=O)c1ccc(NC(=S)NNc2c(F)c(F)c(F)c(F)c2F)cc1
Show InChI InChI=1S/C13H9F5N4O2S2/c14-7-8(15)10(17)12(11(18)9(7)16)21-22-13(25)20-5-1-3-6(4-2-5)26(19,23)24/h1-4,21H,(H2,19,23,24)(H2,20,22,25)
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Article
PubMed
19n/an/an/an/an/an/an/an/a



University of Naples 'Federico II'

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase II


Bioorg Med Chem Lett 15: 1937-42 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.086
BindingDB Entry DOI: 10.7270/Q24749CF
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM11640
PNG
(3-[(2,3,4,5,6-pentafluorophenyl)amino]-1-(4-sulfam...)
Show SMILES NS(=O)(=O)c1ccc(NC(=S)NNc2c(F)c(F)c(F)c(F)c2F)cc1
Show InChI InChI=1S/C13H9F5N4O2S2/c14-7-8(15)10(17)12(11(18)9(7)16)21-22-13(25)20-5-1-3-6(4-2-5)26(19,23)24/h1-4,21H,(H2,19,23,24)(H2,20,22,25)
PDB
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Article
PubMed
78n/an/an/an/an/an/an/an/a



University of Naples 'Federico II'

Curated by ChEMBL


Assay Description
Inhibitory constant against human Carbonic anhydrase I


Bioorg Med Chem Lett 15: 1937-42 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.086
BindingDB Entry DOI: 10.7270/Q24749CF
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%