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BDBM50175011 4-methylphenyl-difluoromethanesulfonamide::CHEMBL199464

SMILES: Cc1ccc(cc1)C(F)(F)S(N)(=O)=O

InChI Key: InChIKey=QPMHTUPJLAWJAW-UHFFFAOYSA-N

Data: 4 KI

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50175011   
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 5A, mitochondrial


(Homo sapiens (Human))
BDBM50175011
PNG
(4-methylphenyl-difluoromethanesulfonamide | CHEMBL...)
Show SMILES Cc1ccc(cc1)C(F)(F)S(N)(=O)=O
Show InChI InChI=1S/C8H9F2NO2S/c1-6-2-4-7(5-3-6)8(9,10)14(11,12)13/h2-5H,1H3,(H2,11,12,13)
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Article
PubMed
128n/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 9


(Homo sapiens (Human))
BDBM50175011
PNG
(4-methylphenyl-difluoromethanesulfonamide | CHEMBL...)
Show SMILES Cc1ccc(cc1)C(F)(F)S(N)(=O)=O
Show InChI InChI=1S/C8H9F2NO2S/c1-6-2-4-7(5-3-6)8(9,10)14(11,12)13/h2-5H,1H3,(H2,11,12,13)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
250n/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
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50175011
PNG
(4-methylphenyl-difluoromethanesulfonamide | CHEMBL...)
Show SMILES Cc1ccc(cc1)C(F)(F)S(N)(=O)=O
Show InChI InChI=1S/C8H9F2NO2S/c1-6-2-4-7(5-3-6)8(9,10)14(11,12)13/h2-5H,1H3,(H2,11,12,13)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
348n/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 1


(Homo sapiens (Human))
BDBM50175011
PNG
(4-methylphenyl-difluoromethanesulfonamide | CHEMBL...)
Show SMILES Cc1ccc(cc1)C(F)(F)S(N)(=O)=O
Show InChI InChI=1S/C8H9F2NO2S/c1-6-2-4-7(5-3-6)8(9,10)14(11,12)13/h2-5H,1H3,(H2,11,12,13)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
952n/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