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SMILES: NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(Cl)cc2F)cc1

InChI Key: InChIKey=ILLWLWJTNFHQRA-UHFFFAOYSA-N

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 = 50240184   
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))
BDBM50240184
PNG
(CHEMBL4066371 | US9962398, Compound MST-134)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(Cl)cc2F)cc1
Show InChI InChI=1S/C13H11ClFN3O3S/c14-8-1-6-12(11(15)7-8)18-13(19)17-9-2-4-10(5-3-9)22(16,20)21/h1-7H,(H2,16,20,21)(H2,17,18,19)
PDB
MMDB

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5.10n/an/an/an/an/an/an/an/a



University of Washington at Seattle



Assay Description
CA INHIBITION DATA WITH UREIDOSUBSTITUTED SULFONAMIDES


J Med Chem 52: 1864-72 (2009)


BindingDB Entry DOI: 10.7270/Q2Q242KS
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50240184
PNG
(CHEMBL4066371 | US9962398, Compound MST-134)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(Cl)cc2F)cc1
Show InChI InChI=1S/C13H11ClFN3O3S/c14-8-1-6-12(11(15)7-8)18-13(19)17-9-2-4-10(5-3-9)22(16,20)21/h1-7H,(H2,16,20,21)(H2,17,18,19)
PDB
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Article
PubMed
5.10n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against dog gastric proton-pump enzyme H+/K+ ATPase


Bioorg Med Chem 25: 2569-2576 (2017)


Article DOI: 10.1016/j.bmc.2017.03.027
BindingDB Entry DOI: 10.7270/Q22F7QKP
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50240184
PNG
(CHEMBL4066371 | US9962398, Compound MST-134)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(Cl)cc2F)cc1
Show InChI InChI=1S/C13H11ClFN3O3S/c14-8-1-6-12(11(15)7-8)18-13(19)17-9-2-4-10(5-3-9)22(16,20)21/h1-7H,(H2,16,20,21)(H2,17,18,19)
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PubMed
7.90n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
The compound was tested in vivo for inhibition of gastric proton-pump enzyme H+/K+ ATPase


Bioorg Med Chem 25: 2569-2576 (2017)


Article DOI: 10.1016/j.bmc.2017.03.027
BindingDB Entry DOI: 10.7270/Q22F7QKP
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50240184
PNG
(CHEMBL4066371 | US9962398, Compound MST-134)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(Cl)cc2F)cc1
Show InChI InChI=1S/C13H11ClFN3O3S/c14-8-1-6-12(11(15)7-8)18-13(19)17-9-2-4-10(5-3-9)22(16,20)21/h1-7H,(H2,16,20,21)(H2,17,18,19)
PDB
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US Patent
7.90n/an/an/an/an/an/an/an/a



University of Washington at Seattle



Assay Description
CA INHIBITION DATA WITH UREIDOSUBSTITUTED SULFONAMIDES


J Med Chem 52: 1864-72 (2009)


BindingDB Entry DOI: 10.7270/Q2Q242KS
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50240184
PNG
(CHEMBL4066371 | US9962398, Compound MST-134)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(Cl)cc2F)cc1
Show InChI InChI=1S/C13H11ClFN3O3S/c14-8-1-6-12(11(15)7-8)18-13(19)17-9-2-4-10(5-3-9)22(16,20)21/h1-7H,(H2,16,20,21)(H2,17,18,19)
PDB
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US Patent
162n/an/an/an/an/an/an/an/a



University of Washington at Seattle



Assay Description
CA INHIBITION DATA WITH UREIDOSUBSTITUTED SULFONAMIDES


J Med Chem 52: 1864-72 (2009)


BindingDB Entry DOI: 10.7270/Q2Q242KS
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50240184
PNG
(CHEMBL4066371 | US9962398, Compound MST-134)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(Cl)cc2F)cc1
Show InChI InChI=1S/C13H11ClFN3O3S/c14-8-1-6-12(11(15)7-8)18-13(19)17-9-2-4-10(5-3-9)22(16,20)21/h1-7H,(H2,16,20,21)(H2,17,18,19)
PDB
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Article
PubMed
162n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against dog gastric proton-pump enzyme H+/K+ ATPase


Bioorg Med Chem 25: 2569-2576 (2017)


Article DOI: 10.1016/j.bmc.2017.03.027
BindingDB Entry DOI: 10.7270/Q22F7QKP
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50240184
PNG
(CHEMBL4066371 | US9962398, Compound MST-134)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(Cl)cc2F)cc1
Show InChI InChI=1S/C13H11ClFN3O3S/c14-8-1-6-12(11(15)7-8)18-13(19)17-9-2-4-10(5-3-9)22(16,20)21/h1-7H,(H2,16,20,21)(H2,17,18,19)
PDB
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NCI pathway
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US Patent
436n/an/an/an/an/an/an/an/a



University of Washington at Seattle



Assay Description
CA INHIBITION DATA WITH UREIDOSUBSTITUTED SULFONAMIDES


J Med Chem 52: 1864-72 (2009)


BindingDB Entry DOI: 10.7270/Q2Q242KS
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50240184
PNG
(CHEMBL4066371 | US9962398, Compound MST-134)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(Cl)cc2F)cc1
Show InChI InChI=1S/C13H11ClFN3O3S/c14-8-1-6-12(11(15)7-8)18-13(19)17-9-2-4-10(5-3-9)22(16,20)21/h1-7H,(H2,16,20,21)(H2,17,18,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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antibodypedia
GoogleScholar
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Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
436n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity of gastric proton-pump enzyme H+/K+ ATPase was determined at 50 uM


Bioorg Med Chem 25: 2569-2576 (2017)


Article DOI: 10.1016/j.bmc.2017.03.027
BindingDB Entry DOI: 10.7270/Q22F7QKP
More data for this
Ligand-Target Pair