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1 similar compounds to monomer 50334364

Compile data set for download or QSAR
Wt: 383.4
BDBM50334347

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50334347   
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 12


(Homo sapiens (Human))
BDBM50334347
PNG
(4-(3-(4-phenoxyphenyl)ureido)benzenesulfonamide | ...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1
Show InChI InChI=1S/C19H17N3O4S/c20-27(24,25)18-12-8-15(9-13-18)22-19(23)21-14-6-10-17(11-7-14)26-16-4-2-1-3-5-16/h1-13H,(H2,20,24,25)(H2,21,22,23)
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7.10n/an/an/an/an/an/an/an/a



Universita` degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of tumor-associated human carbonic anhydrase 12 preincubated for 15 min by CO2 hydration assay


J Med Chem 54: 1896-902 (2011)


Article DOI: 10.1021/jm101541x
BindingDB Entry DOI: 10.7270/Q2CC110M
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50334347
PNG
(4-(3-(4-phenoxyphenyl)ureido)benzenesulfonamide | ...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1
Show InChI InChI=1S/C19H17N3O4S/c20-27(24,25)18-12-8-15(9-13-18)22-19(23)21-14-6-10-17(11-7-14)26-16-4-2-1-3-5-16/h1-13H,(H2,20,24,25)(H2,21,22,23)
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69n/an/an/an/an/an/an/an/a



Universita` degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of tumor-associated human carbonic anhydrase 9 preincubated for 15 min by CO2 hydration assay


J Med Chem 54: 1896-902 (2011)


Article DOI: 10.1021/jm101541x
BindingDB Entry DOI: 10.7270/Q2CC110M
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50334347
PNG
(4-(3-(4-phenoxyphenyl)ureido)benzenesulfonamide | ...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1
Show InChI InChI=1S/C19H17N3O4S/c20-27(24,25)18-12-8-15(9-13-18)22-19(23)21-14-6-10-17(11-7-14)26-16-4-2-1-3-5-16/h1-13H,(H2,20,24,25)(H2,21,22,23)
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85n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 21: 102-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.064
BindingDB Entry DOI: 10.7270/Q2WS8TH9
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50334347
PNG
(4-(3-(4-phenoxyphenyl)ureido)benzenesulfonamide | ...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1
Show InChI InChI=1S/C19H17N3O4S/c20-27(24,25)18-12-8-15(9-13-18)22-19(23)21-14-6-10-17(11-7-14)26-16-4-2-1-3-5-16/h1-13H,(H2,20,24,25)(H2,21,22,23)
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85n/an/an/an/an/an/an/an/a



Universita` degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic carbonic anhydrase 2 preincubated for 15 min by CO2 hydration assay


J Med Chem 54: 1896-902 (2011)


Article DOI: 10.1021/jm101541x
BindingDB Entry DOI: 10.7270/Q2CC110M
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic Anhydrase (mtCA 1)


(Mycobacterium tuberculosis)
BDBM50334347
PNG
(4-(3-(4-phenoxyphenyl)ureido)benzenesulfonamide | ...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1
Show InChI InChI=1S/C19H17N3O4S/c20-27(24,25)18-12-8-15(9-13-18)22-19(23)21-14-6-10-17(11-7-14)26-16-4-2-1-3-5-16/h1-13H,(H2,20,24,25)(H2,21,22,23)
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KEGG

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PC sid
UniChem

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Article
PubMed
560n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis recombinant beta-carbonic anhydrase Rv1284 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 21: 102-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.064
BindingDB Entry DOI: 10.7270/Q2WS8TH9
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50334347
PNG
(4-(3-(4-phenoxyphenyl)ureido)benzenesulfonamide | ...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1
Show InChI InChI=1S/C19H17N3O4S/c20-27(24,25)18-12-8-15(9-13-18)22-19(23)21-14-6-10-17(11-7-14)26-16-4-2-1-3-5-16/h1-13H,(H2,20,24,25)(H2,21,22,23)
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PubMed
604n/an/an/an/an/an/an/an/a



Universita` degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic carbonic anhydrase 1 preincubated for 15 min by CO2 hydration assay


J Med Chem 54: 1896-902 (2011)


Article DOI: 10.1021/jm101541x
BindingDB Entry DOI: 10.7270/Q2CC110M
More data for this
Ligand-Target Pair
PROBABLE TRANSMEMBRANE CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE)


(Mycobacterium tuberculosis)
BDBM50334347
PNG
(4-(3-(4-phenoxyphenyl)ureido)benzenesulfonamide | ...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1
Show InChI InChI=1S/C19H17N3O4S/c20-27(24,25)18-12-8-15(9-13-18)22-19(23)21-14-6-10-17(11-7-14)26-16-4-2-1-3-5-16/h1-13H,(H2,20,24,25)(H2,21,22,23)
KEGG

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
818n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis recombinant beta-carbonic anhydrase Rv3273 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 21: 102-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.064
BindingDB Entry DOI: 10.7270/Q2WS8TH9
More data for this
Ligand-Target Pair