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SMILES: NS(=O)(=O)c1ccc(NC(=O)Nc2cc(Cl)ccc2Cl)cc1

InChI Key: InChIKey=JVTAGZMZWCGBKW-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 = 50240177   
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))
BDBM50240177
PNG
(CHEMBL4097801 | US9962398, Compound MST-144)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2cc(Cl)ccc2Cl)cc1
Show InChI InChI=1S/C13H11Cl2N3O3S/c14-8-1-6-11(15)12(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
6.80n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopp...


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))
BDBM50240177
PNG
(CHEMBL4097801 | US9962398, Compound MST-144)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2cc(Cl)ccc2Cl)cc1
Show InChI InChI=1S/C13H11Cl2N3O3S/c14-8-1-6-11(15)12(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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US Patent
6.80n/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))
BDBM50240177
PNG
(CHEMBL4097801 | US9962398, Compound MST-144)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2cc(Cl)ccc2Cl)cc1
Show InChI InChI=1S/C13H11Cl2N3O3S/c14-8-1-6-11(15)12(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
8.90n/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 9


(Homo sapiens (Human))
BDBM50240177
PNG
(CHEMBL4097801 | US9962398, Compound MST-144)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2cc(Cl)ccc2Cl)cc1
Show InChI InChI=1S/C13H11Cl2N3O3S/c14-8-1-6-11(15)12(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
8.90n/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))
BDBM50240177
PNG
(CHEMBL4097801 | US9962398, Compound MST-144)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2cc(Cl)ccc2Cl)cc1
Show InChI InChI=1S/C13H11Cl2N3O3S/c14-8-1-6-11(15)12(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
58n/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 2


(Homo sapiens (Human))
BDBM50240177
PNG
(CHEMBL4097801 | US9962398, Compound MST-144)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2cc(Cl)ccc2Cl)cc1
Show InChI InChI=1S/C13H11Cl2N3O3S/c14-8-1-6-11(15)12(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
58.2n/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))
BDBM50240177
PNG
(CHEMBL4097801 | US9962398, Compound MST-144)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2cc(Cl)ccc2Cl)cc1
Show InChI InChI=1S/C13H11Cl2N3O3S/c14-8-1-6-11(15)12(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
747n/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))
BDBM50240177
PNG
(CHEMBL4097801 | US9962398, Compound MST-144)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2cc(Cl)ccc2Cl)cc1
Show InChI InChI=1S/C13H11Cl2N3O3S/c14-8-1-6-11(15)12(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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Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
747n/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