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BDBM11640 3-[(2,3,4,5,6-pentafluorophenyl)amino]-1-(4-sulfamoylphenyl)thiourea::CHEMBL361827::Compound 9::fluorine-containing thiourea 9

SMILES: NS(=O)(=O)c1ccc(NC(=S)NNc2c(F)c(F)c(F)c(F)c2F)cc1

InChI Key: InChIKey=VPQCNGWOFGWYOE-UHFFFAOYSA-N

Data: 8 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 11640   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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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15 -10.6n/an/an/an/an/a7.522



Istituto di Biostrutture e Bioimmagini-CNR



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 48: 5721-7 (2005)


Article DOI: 10.1021/jm050333c
BindingDB Entry DOI: 10.7270/Q2ST7N2F
More data for this
Ligand-Target Pair
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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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 12


(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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18n/an/an/an/an/an/an/an/a



Universita degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against catalytic domain of human carbonic anhydrase XII


Bioorg Med Chem Lett 15: 3821-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.054
BindingDB Entry DOI: 10.7270/Q2H132SW
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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19 -10.4n/an/an/an/an/a7.522



Istituto di Biostrutture e Bioimmagini-CNR



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 48: 5721-7 (2005)


Article DOI: 10.1021/jm050333c
BindingDB Entry DOI: 10.7270/Q2ST7N2F
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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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 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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25n/an/an/an/an/an/an/an/a



Universita degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II


Bioorg Med Chem Lett 15: 3821-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.054
BindingDB Entry DOI: 10.7270/Q2H132SW
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)
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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
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)
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84n/an/an/an/an/an/an/an/a



Universita degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase I


Bioorg Med Chem Lett 15: 3821-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.054
BindingDB Entry DOI: 10.7270/Q2H132SW
More data for this
Ligand-Target Pair