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SMILES: NS(=O)(=O)c1ccc(NC(=O)Nc2ccccc2F)cc1

InChI Key: InChIKey=OWWHFDSAOSYTOX-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 = 50240179   
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))
BDBM50240179
PNG
(CHEMBL1334282 | US9962398, Compound MST-141)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccccc2F)cc1
Show InChI InChI=1S/C13H12FN3O3S/c14-11-3-1-2-4-12(11)17-13(18)16-9-5-7-10(8-6-9)21(15,19)20/h1-8H,(H2,15,19,20)(H2,16,17,18)
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7.30n/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))
BDBM50240179
PNG
(CHEMBL1334282 | US9962398, Compound MST-141)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccccc2F)cc1
Show InChI InChI=1S/C13H12FN3O3S/c14-11-3-1-2-4-12(11)17-13(18)16-9-5-7-10(8-6-9)21(15,19)20/h1-8H,(H2,15,19,20)(H2,16,17,18)
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7.30n/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))
BDBM50240179
PNG
(CHEMBL1334282 | US9962398, Compound MST-141)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccccc2F)cc1
Show InChI InChI=1S/C13H12FN3O3S/c14-11-3-1-2-4-12(11)17-13(18)16-9-5-7-10(8-6-9)21(15,19)20/h1-8H,(H2,15,19,20)(H2,16,17,18)
PDB
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7.70n/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))
BDBM50240179
PNG
(CHEMBL1334282 | US9962398, Compound MST-141)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccccc2F)cc1
Show InChI InChI=1S/C13H12FN3O3S/c14-11-3-1-2-4-12(11)17-13(18)16-9-5-7-10(8-6-9)21(15,19)20/h1-8H,(H2,15,19,20)(H2,16,17,18)
PDB
MMDB

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7.70n/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 prior to testing measured for 10 to 100 secs by phenol red-based stoppe...


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 2


(Homo sapiens (Human))
BDBM50240179
PNG
(CHEMBL1334282 | US9962398, Compound MST-141)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccccc2F)cc1
Show InChI InChI=1S/C13H12FN3O3S/c14-11-3-1-2-4-12(11)17-13(18)16-9-5-7-10(8-6-9)21(15,19)20/h1-8H,(H2,15,19,20)(H2,16,17,18)
PDB
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33n/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 prior to testing measured for 10 to 100 secs by phenol red-based stoppe...


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 2


(Homo sapiens (Human))
BDBM50240179
PNG
(CHEMBL1334282 | US9962398, Compound MST-141)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccccc2F)cc1
Show InChI InChI=1S/C13H12FN3O3S/c14-11-3-1-2-4-12(11)17-13(18)16-9-5-7-10(8-6-9)21(15,19)20/h1-8H,(H2,15,19,20)(H2,16,17,18)
PDB
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33n/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))
BDBM50240179
PNG
(CHEMBL1334282 | US9962398, Compound MST-141)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccccc2F)cc1
Show InChI InChI=1S/C13H12FN3O3S/c14-11-3-1-2-4-12(11)17-13(18)16-9-5-7-10(8-6-9)21(15,19)20/h1-8H,(H2,15,19,20)(H2,16,17,18)
PDB
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KEGG

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UniChem
Article
PubMed
550n/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))
BDBM50240179
PNG
(CHEMBL1334282 | US9962398, Compound MST-141)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccccc2F)cc1
Show InChI InChI=1S/C13H12FN3O3S/c14-11-3-1-2-4-12(11)17-13(18)16-9-5-7-10(8-6-9)21(15,19)20/h1-8H,(H2,15,19,20)(H2,16,17,18)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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CHEMBL
PC cid
PC sid
UniChem
US Patent
550n/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