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BDBM50025094 4-Nitro-benzenesulfonamide::4-nitrobenzenesulfonamide::CHEMBL282157

SMILES: NS(=O)(=O)c1ccc(cc1)[N+]([O-])=O

InChI Key: InChIKey=QWKKYJLAUWFPDB-UHFFFAOYSA-N

Data: 2 KI  2 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 50025094   
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


(Bos taurus)
BDBM50025094
PNG
(4-Nitro-benzenesulfonamide | 4-nitrobenzenesulfona...)
Show SMILES NS(=O)(=O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C6H6N2O4S/c7-13(11,12)6-3-1-5(2-4-6)8(9)10/h1-4H,(H2,7,11,12)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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CHEMBL
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PC cid
PC sid
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Article
PubMed
5.60n/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)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Bos taurus)
BDBM50025094
PNG
(4-Nitro-benzenesulfonamide | 4-nitrobenzenesulfona...)
Show SMILES NS(=O)(=O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C6H6N2O4S/c7-13(11,12)6-3-1-5(2-4-6)8(9)10/h1-4H,(H2,7,11,12)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
5.60n/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)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50025094
PNG
(4-Nitro-benzenesulfonamide | 4-nitrobenzenesulfona...)
Show SMILES NS(=O)(=O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C6H6N2O4S/c7-13(11,12)6-3-1-5(2-4-6)8(9)10/h1-4H,(H2,7,11,12)
PDB
MMDB

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Article
PubMed
n/an/a 400n/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)

More data for this
Ligand-Target Pair
Carbonic Anhydrase VA


(Homo sapiens (human))
BDBM50025094
PNG
(4-Nitro-benzenesulfonamide | 4-nitrobenzenesulfona...)
Show SMILES NS(=O)(=O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C6H6N2O4S/c7-13(11,12)6-3-1-5(2-4-6)8(9)10/h1-4H,(H2,7,11,12)
Reactome pathway
KEGG

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antibodypedia
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CHEMBL
MMDB
PC cid
PC sid
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Article
PubMed
n/an/a 4.20E+3n/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)

More data for this
Ligand-Target Pair