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BDBM50428405 CHEMBL2333973

SMILES: CC(F)(F)CNS(=O)(=O)c1ccc(N)cc1

InChI Key: InChIKey=LKCDWLBHZJJIJK-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 = 50428405   
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 9


(Homo sapiens (Human))
BDBM50428405
PNG
(CHEMBL2333973)
Show SMILES CC(F)(F)CNS(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C9H12F2N2O2S/c1-9(10,11)6-13-16(14,15)8-4-2-7(12)3-5-8/h2-5,13H,6,12H2,1H3
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MMDB

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KEGG

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PC sid
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Article
PubMed
47n/an/an/an/an/an/an/an/a



Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers

Curated by ChEMBL


Assay Description
Inhibition of human catalytic domain of carbonic anhydrase 9 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1555-63 (2013)


Article DOI: 10.1016/j.bmc.2012.05.037
BindingDB Entry DOI: 10.7270/Q25H7HM8
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50428405
PNG
(CHEMBL2333973)
Show SMILES CC(F)(F)CNS(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C9H12F2N2O2S/c1-9(10,11)6-13-16(14,15)8-4-2-7(12)3-5-8/h2-5,13H,6,12H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
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PC sid
UniChem

Similars

Article
PubMed
79n/an/an/an/an/an/an/an/a



Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers

Curated by ChEMBL


Assay Description
Inhibition of human catalytic domain of carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1555-63 (2013)


Article DOI: 10.1016/j.bmc.2012.05.037
BindingDB Entry DOI: 10.7270/Q25H7HM8
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50428405
PNG
(CHEMBL2333973)
Show SMILES CC(F)(F)CNS(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C9H12F2N2O2S/c1-9(10,11)6-13-16(14,15)8-4-2-7(12)3-5-8/h2-5,13H,6,12H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
85n/an/an/an/an/an/an/an/a



Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1555-63 (2013)


Article DOI: 10.1016/j.bmc.2012.05.037
BindingDB Entry DOI: 10.7270/Q25H7HM8
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50428405
PNG
(CHEMBL2333973)
Show SMILES CC(F)(F)CNS(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C9H12F2N2O2S/c1-9(10,11)6-13-16(14,15)8-4-2-7(12)3-5-8/h2-5,13H,6,12H2,1H3
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
151n/an/an/an/an/an/an/an/a



Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1555-63 (2013)


Article DOI: 10.1016/j.bmc.2012.05.037
BindingDB Entry DOI: 10.7270/Q25H7HM8
More data for this
Ligand-Target Pair