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SMILES: NS(=O)(=O)c1ccc(cc1)-c1no[n+]([O-])c1-c1ccccc1

InChI Key: InChIKey=ULRHXPKIQAANGO-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 4 hits for monomerid = 50050909   
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))
BDBM50050909
PNG
(CHEMBL3309363)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1no[n+]([O-])c1-c1ccccc1
Show InChI InChI=1S/C14H11N3O4S/c15-22(19,20)12-8-6-10(7-9-12)13-14(17(18)21-16-13)11-4-2-1-3-5-11/h1-9H,(H2,15,19,20)
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Article
PubMed
8.30n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA12 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
BindingDB Entry DOI: 10.7270/Q2Q241WD
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50050909
PNG
(CHEMBL3309363)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1no[n+]([O-])c1-c1ccccc1
Show InChI InChI=1S/C14H11N3O4S/c15-22(19,20)12-8-6-10(7-9-12)13-14(17(18)21-16-13)11-4-2-1-3-5-11/h1-9H,(H2,15,19,20)
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Article
PubMed
57n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA2 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
BindingDB Entry DOI: 10.7270/Q2Q241WD
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50050909
PNG
(CHEMBL3309363)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1no[n+]([O-])c1-c1ccccc1
Show InChI InChI=1S/C14H11N3O4S/c15-22(19,20)12-8-6-10(7-9-12)13-14(17(18)21-16-13)11-4-2-1-3-5-11/h1-9H,(H2,15,19,20)
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Article
PubMed
63n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA9 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
BindingDB Entry DOI: 10.7270/Q2Q241WD
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50050909
PNG
(CHEMBL3309363)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1no[n+]([O-])c1-c1ccccc1
Show InChI InChI=1S/C14H11N3O4S/c15-22(19,20)12-8-6-10(7-9-12)13-14(17(18)21-16-13)11-4-2-1-3-5-11/h1-9H,(H2,15,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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GoogleScholar
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PC sid
UniChem

Similars

Article
PubMed
667n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA1 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
BindingDB Entry DOI: 10.7270/Q2Q241WD
More data for this
Ligand-Target Pair