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BDBM50429901 2,3,5,6-Tetrafluorobenzenesulfonamide::CHEMBL2333412

SMILES: NS(=O)(=O)c1c(F)c(F)cc(F)c1F

InChI Key: InChIKey=MYYBXTFMTDFNCM-UHFFFAOYSA-N

Data: 10 Kd

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 10 hits for monomerid = 50429901   
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 13 (CA XIII)


(Homo sapiens (Human))
BDBM50429901
PNG
(2,3,5,6-Tetrafluorobenzenesulfonamide | CHEMBL2333...)
Show SMILES NS(=O)(=O)c1c(F)c(F)cc(F)c1F
Show InChI InChI=1S/C6H3F4NO2S/c7-2-1-3(8)5(10)6(4(2)9)14(11,12)13/h1H,(H2,11,12,13)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 66n/an/an/a7.0n/a



Vilnius University Institute of Biotechnology

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CA13 at 37 degC and pH 7.0 by isothermal titration calorimetry


Bioorg Med Chem 21: 2093-106 (2013)


Article DOI: 10.1016/j.bmc.2013.01.008
BindingDB Entry DOI: 10.7270/Q2PV6MQK
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50429901
PNG
(2,3,5,6-Tetrafluorobenzenesulfonamide | CHEMBL2333...)
Show SMILES NS(=O)(=O)c1c(F)c(F)cc(F)c1F
Show InChI InChI=1S/C6H3F4NO2S/c7-2-1-3(8)5(10)6(4(2)9)14(11,12)13/h1H,(H2,11,12,13)
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UniChem
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n/an/an/a 588n/an/an/a7.0n/a



Vilnius University Institute of Biotechnology

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CA12 at 37 degC and pH 7.0 by isothermal titration calorimetry


Bioorg Med Chem 21: 2093-106 (2013)


Article DOI: 10.1016/j.bmc.2013.01.008
BindingDB Entry DOI: 10.7270/Q2PV6MQK
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50429901
PNG
(2,3,5,6-Tetrafluorobenzenesulfonamide | CHEMBL2333...)
Show SMILES NS(=O)(=O)c1c(F)c(F)cc(F)c1F
Show InChI InChI=1S/C6H3F4NO2S/c7-2-1-3(8)5(10)6(4(2)9)14(11,12)13/h1H,(H2,11,12,13)
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n/an/an/a 121n/an/an/a7.0n/a



Vilnius University Institute of Biotechnology

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CA7 at 37 degC and pH 7.0 by isothermal titration calorimetry


Bioorg Med Chem 21: 2093-106 (2013)


Article DOI: 10.1016/j.bmc.2013.01.008
BindingDB Entry DOI: 10.7270/Q2PV6MQK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50429901
PNG
(2,3,5,6-Tetrafluorobenzenesulfonamide | CHEMBL2333...)
Show SMILES NS(=O)(=O)c1c(F)c(F)cc(F)c1F
Show InChI InChI=1S/C6H3F4NO2S/c7-2-1-3(8)5(10)6(4(2)9)14(11,12)13/h1H,(H2,11,12,13)
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n/an/an/a 42n/an/an/a7.0n/a



Vilnius University Institute of Biotechnology

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CA2 at 37 degC and pH 7.0 by isothermal titration calorimetry


Bioorg Med Chem 21: 2093-106 (2013)


Article DOI: 10.1016/j.bmc.2013.01.008
BindingDB Entry DOI: 10.7270/Q2PV6MQK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50429901
PNG
(2,3,5,6-Tetrafluorobenzenesulfonamide | CHEMBL2333...)
Show SMILES NS(=O)(=O)c1c(F)c(F)cc(F)c1F
Show InChI InChI=1S/C6H3F4NO2S/c7-2-1-3(8)5(10)6(4(2)9)14(11,12)13/h1H,(H2,11,12,13)
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PC sid
UniChem
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n/an/an/a 29n/an/an/a7.0n/a



Vilnius University Institute of Biotechnology

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CA2 at 37 degC and pH 7.0 by thermal shift assay


Bioorg Med Chem 21: 2093-106 (2013)


Article DOI: 10.1016/j.bmc.2013.01.008
BindingDB Entry DOI: 10.7270/Q2PV6MQK
More data for this
Ligand-Target Pair
Carbonic anhydrase 13 (CA XIII)


(Homo sapiens (Human))
BDBM50429901
PNG
(2,3,5,6-Tetrafluorobenzenesulfonamide | CHEMBL2333...)
Show SMILES NS(=O)(=O)c1c(F)c(F)cc(F)c1F
Show InChI InChI=1S/C6H3F4NO2S/c7-2-1-3(8)5(10)6(4(2)9)14(11,12)13/h1H,(H2,11,12,13)
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 20n/an/an/a7.0n/a



Vilnius University Institute of Biotechnology

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CA13 at 37 degC and pH 7.0 by thermal shift assay


Bioorg Med Chem 21: 2093-106 (2013)


Article DOI: 10.1016/j.bmc.2013.01.008
BindingDB Entry DOI: 10.7270/Q2PV6MQK
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50429901
PNG
(2,3,5,6-Tetrafluorobenzenesulfonamide | CHEMBL2333...)
Show SMILES NS(=O)(=O)c1c(F)c(F)cc(F)c1F
Show InChI InChI=1S/C6H3F4NO2S/c7-2-1-3(8)5(10)6(4(2)9)14(11,12)13/h1H,(H2,11,12,13)
PDB
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 333n/an/an/a7.0n/a



Vilnius University Institute of Biotechnology

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CA12 at 37 degC and pH 7.0 by thermal shift assay


Bioorg Med Chem 21: 2093-106 (2013)


Article DOI: 10.1016/j.bmc.2013.01.008
BindingDB Entry DOI: 10.7270/Q2PV6MQK
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50429901
PNG
(2,3,5,6-Tetrafluorobenzenesulfonamide | CHEMBL2333...)
Show SMILES NS(=O)(=O)c1c(F)c(F)cc(F)c1F
Show InChI InChI=1S/C6H3F4NO2S/c7-2-1-3(8)5(10)6(4(2)9)14(11,12)13/h1H,(H2,11,12,13)
PDB
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 11n/an/an/a7.0n/a



Vilnius University Institute of Biotechnology

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CA7 at 37 degC and pH 7.0 by thermal shift assay


Bioorg Med Chem 21: 2093-106 (2013)


Article DOI: 10.1016/j.bmc.2013.01.008
BindingDB Entry DOI: 10.7270/Q2PV6MQK
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50429901
PNG
(2,3,5,6-Tetrafluorobenzenesulfonamide | CHEMBL2333...)
Show SMILES NS(=O)(=O)c1c(F)c(F)cc(F)c1F
Show InChI InChI=1S/C6H3F4NO2S/c7-2-1-3(8)5(10)6(4(2)9)14(11,12)13/h1H,(H2,11,12,13)
PDB
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PC sid
UniChem
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PubMed
n/an/an/a 2.40n/an/an/a7.0n/a



Vilnius University Institute of Biotechnology

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CA1 at 37 degC and pH 7.0 by thermal shift assay


Bioorg Med Chem 21: 2093-106 (2013)


Article DOI: 10.1016/j.bmc.2013.01.008
BindingDB Entry DOI: 10.7270/Q2PV6MQK
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50429901
PNG
(2,3,5,6-Tetrafluorobenzenesulfonamide | CHEMBL2333...)
Show SMILES NS(=O)(=O)c1c(F)c(F)cc(F)c1F
Show InChI InChI=1S/C6H3F4NO2S/c7-2-1-3(8)5(10)6(4(2)9)14(11,12)13/h1H,(H2,11,12,13)
PDB
MMDB

NCI pathway
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 18n/an/an/a7.0n/a



Vilnius University Institute of Biotechnology

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CA1 at 37 degC and pH 7.0 by isothermal titration calorimetry


Bioorg Med Chem 21: 2093-106 (2013)


Article DOI: 10.1016/j.bmc.2013.01.008
BindingDB Entry DOI: 10.7270/Q2PV6MQK
More data for this
Ligand-Target Pair