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SMILES: C[C@H]1O[C@@H](NS(N)(=O)=O)[C@@H](O)[C@@H](O)[C@@H]1O

InChI Key: InChIKey=JRZLSPHVEFMWQW-RWOPYEJCSA-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 4 hits for monomerid = 50349114   
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))
BDBM50349114
PNG
(CHEMBL1807503)
Show SMILES C[C@H]1O[C@@H](NS(N)(=O)=O)[C@@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C6H14N2O6S/c1-2-3(9)4(10)5(11)6(14-2)8-15(7,12)13/h2-6,8-11H,1H3,(H2,7,12,13)/t2-,3-,4+,5+,6-/m1/s1
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Article
PubMed
3.14E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane carbonic anhydrase 9-mediated CO2 hydration activity after 15 mins


Bioorg Med Chem Lett 21: 4447-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.031
BindingDB Entry DOI: 10.7270/Q2M9091G
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50349114
PNG
(CHEMBL1807503)
Show SMILES C[C@H]1O[C@@H](NS(N)(=O)=O)[C@@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C6H14N2O6S/c1-2-3(9)4(10)5(11)6(14-2)8-15(7,12)13/h2-6,8-11H,1H3,(H2,7,12,13)/t2-,3-,4+,5+,6-/m1/s1
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Article
PubMed
9.90E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane carbonic anhydrase 12-mediated CO2 hydration activity after 15 mins


Bioorg Med Chem Lett 21: 4447-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.031
BindingDB Entry DOI: 10.7270/Q2M9091G
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50349114
PNG
(CHEMBL1807503)
Show SMILES C[C@H]1O[C@@H](NS(N)(=O)=O)[C@@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C6H14N2O6S/c1-2-3(9)4(10)5(11)6(14-2)8-15(7,12)13/h2-6,8-11H,1H3,(H2,7,12,13)/t2-,3-,4+,5+,6-/m1/s1
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Article
PubMed
2.23E+4n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 2-mediated CO2 hydration activity after 15 mins


Bioorg Med Chem Lett 21: 4447-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.031
BindingDB Entry DOI: 10.7270/Q2M9091G
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50349114
PNG
(CHEMBL1807503)
Show SMILES C[C@H]1O[C@@H](NS(N)(=O)=O)[C@@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C6H14N2O6S/c1-2-3(9)4(10)5(11)6(14-2)8-15(7,12)13/h2-6,8-11H,1H3,(H2,7,12,13)/t2-,3-,4+,5+,6-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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PC sid
UniChem

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Article
PubMed
>5.00E+4n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 1-mediated CO2 hydration activity after 15 mins


Bioorg Med Chem Lett 21: 4447-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.031
BindingDB Entry DOI: 10.7270/Q2M9091G
More data for this
Ligand-Target Pair