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SMILES: [#7]S(=O)(=O)c1ccc(-[#8]-[#6]-[#6](-[#8])-[#6][Te;v2]c2ccccc2)cc1

InChI Key: InChIKey=XWJTVJYMCSBFDT-UHFFFAOYSA-N

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 5 hits for monomerid = 50515558   
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))
BDBM50515558
PNG
(CHEMBL4535036)
Show SMILES [#7]S(=O)(=O)c1ccc(-[#8]-[#6]-[#6](-[#8])-[#6][Te;v2]c2ccccc2)cc1
Show InChI InChI=1S/C15H17NO4STe/c16-21(18,19)14-8-6-13(7-9-14)20-10-12(17)11-22-15-4-2-1-3-5-15/h1-9,12,17H,10-11H2,(H2,16,18,19)
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0.420n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.111586
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50515558
PNG
(CHEMBL4535036)
Show SMILES [#7]S(=O)(=O)c1ccc(-[#8]-[#6]-[#6](-[#8])-[#6][Te;v2]c2ccccc2)cc1
Show InChI InChI=1S/C15H17NO4STe/c16-21(18,19)14-8-6-13(7-9-14)20-10-12(17)11-22-15-4-2-1-3-5-15/h1-9,12,17H,10-11H2,(H2,16,18,19)
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0.780n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 7 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.111586
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50515558
PNG
(CHEMBL4535036)
Show SMILES [#7]S(=O)(=O)c1ccc(-[#8]-[#6]-[#6](-[#8])-[#6][Te;v2]c2ccccc2)cc1
Show InChI InChI=1S/C15H17NO4STe/c16-21(18,19)14-8-6-13(7-9-14)20-10-12(17)11-22-15-4-2-1-3-5-15/h1-9,12,17H,10-11H2,(H2,16,18,19)
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6.80n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 4 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.111586
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50515558
PNG
(CHEMBL4535036)
Show SMILES [#7]S(=O)(=O)c1ccc(-[#8]-[#6]-[#6](-[#8])-[#6][Te;v2]c2ccccc2)cc1
Show InChI InChI=1S/C15H17NO4STe/c16-21(18,19)14-8-6-13(7-9-14)20-10-12(17)11-22-15-4-2-1-3-5-15/h1-9,12,17H,10-11H2,(H2,16,18,19)
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15n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.111586
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50515558
PNG
(CHEMBL4535036)
Show SMILES [#7]S(=O)(=O)c1ccc(-[#8]-[#6]-[#6](-[#8])-[#6][Te;v2]c2ccccc2)cc1
Show InChI InChI=1S/C15H17NO4STe/c16-21(18,19)14-8-6-13(7-9-14)20-10-12(17)11-22-15-4-2-1-3-5-15/h1-9,12,17H,10-11H2,(H2,16,18,19)
PDB
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47n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.111586
More data for this
Ligand-Target Pair