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BDBM50155501 3-Nitro-benzenesulfonamide::CHEMBL367035

SMILES: NS(=O)(=O)c1cccc(c1)[N+]([O-])=O

InChI Key: InChIKey=TXTQURPQLVHJRE-UHFFFAOYSA-N

Data: 2 KI  2 IC50

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 = 50155501   
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 2


(Bos taurus)
BDBM50155501
PNG
(3-Nitro-benzenesulfonamide | CHEMBL367035)
Show SMILES NS(=O)(=O)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C6H6N2O4S/c7-13(11,12)6-3-1-2-5(4-6)8(9)10/h1-4H,(H2,7,11,12)
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MCE
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Article
PubMed
8.5n/an/an/an/an/an/an/an/a



The University of Tokushima Graduate School

Curated by ChEMBL


Assay Description
Binding affinity to bovine carbonic anhydrase 2


Bioorg Med Chem Lett 21: 141-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.050
BindingDB Entry DOI: 10.7270/Q2K938T6
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Bos taurus)
BDBM50155501
PNG
(3-Nitro-benzenesulfonamide | CHEMBL367035)
Show SMILES NS(=O)(=O)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C6H6N2O4S/c7-13(11,12)6-3-1-2-5(4-6)8(9)10/h1-4H,(H2,7,11,12)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
8.5n/an/an/an/an/an/an/an/a



The University of Tokushima Graduate School

Curated by ChEMBL


Assay Description
Binding affinity to bovine carbonic anhydrase 2


Bioorg Med Chem Lett 21: 141-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.050
BindingDB Entry DOI: 10.7270/Q2K938T6
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50155501
PNG
(3-Nitro-benzenesulfonamide | CHEMBL367035)
Show SMILES NS(=O)(=O)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C6H6N2O4S/c7-13(11,12)6-3-1-2-5(4-6)8(9)10/h1-4H,(H2,7,11,12)
PDB
MMDB

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Article
PubMed
n/an/a 410n/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory concentration against human cystolic isozyme II of Carbonic anhydrase


Bioorg Med Chem Lett 14: 5703-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.085
BindingDB Entry DOI: 10.7270/Q23N22VW
More data for this
Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial


(Homo sapiens (Human))
BDBM50155501
PNG
(3-Nitro-benzenesulfonamide | CHEMBL367035)
Show SMILES NS(=O)(=O)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C6H6N2O4S/c7-13(11,12)6-3-1-2-5(4-6)8(9)10/h1-4H,(H2,7,11,12)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 780n/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory concentration against human cystolic isozyme V of Carbonic anhydrase


Bioorg Med Chem Lett 14: 5703-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.085
BindingDB Entry DOI: 10.7270/Q23N22VW
More data for this
Ligand-Target Pair