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SMILES: NS(=O)(=O)c1nc2ccc(OS(=O)(=O)C(F)(F)F)cc2s1

InChI Key: InChIKey=WUSQSYLTSUGLKJ-UHFFFAOYSA-N

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50094337   
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))
BDBM50094337
PNG
(CHEMBL344156 | Trifluoro-methanesulfonic acid 2-su...)
Show SMILES NS(=O)(=O)c1nc2ccc(OS(=O)(=O)C(F)(F)F)cc2s1
Show InChI InChI=1S/C8H5F3N2O5S3/c9-8(10,11)21(16,17)18-4-1-2-5-6(3-4)19-7(13-5)20(12,14)15/h1-3H,(H2,12,14,15)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.900n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase II (CA2)


J Med Chem 43: 4542-51 (2000)


BindingDB Entry DOI: 10.7270/Q2BV7HBP
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Bos taurus (bovine))
BDBM50094337
PNG
(CHEMBL344156 | Trifluoro-methanesulfonic acid 2-su...)
Show SMILES NS(=O)(=O)c1nc2ccc(OS(=O)(=O)C(F)(F)F)cc2s1
Show InChI InChI=1S/C8H5F3N2O5S3/c9-8(10,11)21(16,17)18-4-1-2-5-6(3-4)19-7(13-5)20(12,14)15/h1-3H,(H2,12,14,15)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
10n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of bovine carbonic anhydrase IV (CA4) from bovine lung microsomes


J Med Chem 43: 4542-51 (2000)


BindingDB Entry DOI: 10.7270/Q2BV7HBP
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50094337
PNG
(CHEMBL344156 | Trifluoro-methanesulfonic acid 2-su...)
Show SMILES NS(=O)(=O)c1nc2ccc(OS(=O)(=O)C(F)(F)F)cc2s1
Show InChI InChI=1S/C8H5F3N2O5S3/c9-8(10,11)21(16,17)18-4-1-2-5-6(3-4)19-7(13-5)20(12,14)15/h1-3H,(H2,12,14,15)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
55n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase I (CA1)


J Med Chem 43: 4542-51 (2000)


BindingDB Entry DOI: 10.7270/Q2BV7HBP
More data for this
Ligand-Target Pair