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BDBM50175001 4-nitrophenyl-difluoromethanesulfonamide::CHEMBL370159

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

InChI Key: InChIKey=WUEDWPOZFNFODO-UHFFFAOYSA-N

Data: 4 KI

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 = 50175001   
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


(Homo sapiens (Human))
BDBM50175001
PNG
(4-nitrophenyl-difluoromethanesulfonamide | CHEMBL3...)
Show SMILES NS(=O)(=O)C(F)(F)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C7H6F2N2O4S/c8-7(9,16(10,14)15)5-1-3-6(4-2-5)11(12)13/h1-4H,(H2,10,14,15)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
113n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cytosolic isozyme CA II


Bioorg Med Chem Lett 15: 5192-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.102
BindingDB Entry DOI: 10.7270/Q20002VN
More data for this
Ligand-Target Pair
Carbonic Anhydrase VA


(Homo sapiens (Human))
BDBM50175001
PNG
(4-nitrophenyl-difluoromethanesulfonamide | CHEMBL3...)
Show SMILES NS(=O)(=O)C(F)(F)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C7H6F2N2O4S/c8-7(9,16(10,14)15)5-1-3-6(4-2-5)11(12)13/h1-4H,(H2,10,14,15)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
153n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human mitochondrial isozyme CA VA


Bioorg Med Chem Lett 15: 5192-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.102
BindingDB Entry DOI: 10.7270/Q20002VN
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50175001
PNG
(4-nitrophenyl-difluoromethanesulfonamide | CHEMBL3...)
Show SMILES NS(=O)(=O)C(F)(F)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C7H6F2N2O4S/c8-7(9,16(10,14)15)5-1-3-6(4-2-5)11(12)13/h1-4H,(H2,10,14,15)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.13E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cytosolic isozyme CA I


Bioorg Med Chem Lett 15: 5192-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.102
BindingDB Entry DOI: 10.7270/Q20002VN
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50175001
PNG
(4-nitrophenyl-difluoromethanesulfonamide | CHEMBL3...)
Show SMILES NS(=O)(=O)C(F)(F)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C7H6F2N2O4S/c8-7(9,16(10,14)15)5-1-3-6(4-2-5)11(12)13/h1-4H,(H2,10,14,15)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.42E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of cloned human transmembrane, tumor-associated isozyme CA IX


Bioorg Med Chem Lett 15: 5192-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.102
BindingDB Entry DOI: 10.7270/Q20002VN
More data for this
Ligand-Target Pair