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SMILES: COC(=O)CCNS(=O)(=O)Oc1ccccc1O

InChI Key: InChIKey=GYKYERZJFHKSIJ-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 = 50428796   
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 14


(Homo sapiens (Human))
BDBM50428796
PNG
(CHEMBL466083 | Methyl 3-[(2-Hydroxyphenoxy)Sulfony...)
Show SMILES COC(=O)CCNS(=O)(=O)Oc1ccccc1O
Show InChI InChI=1S/C10H13NO6S/c1-16-10(13)6-7-11-18(14,15)17-9-5-3-2-4-8(9)12/h2-5,11-12H,6-7H2,1H3
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PC cid
PC sid
UniChem
Article
PubMed
8.53E+3n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 14 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
BindingDB Entry DOI: 10.7270/Q2CV4K23
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50428796
PNG
(CHEMBL466083 | Methyl 3-[(2-Hydroxyphenoxy)Sulfony...)
Show SMILES COC(=O)CCNS(=O)(=O)Oc1ccccc1O
Show InChI InChI=1S/C10H13NO6S/c1-16-10(13)6-7-11-18(14,15)17-9-5-3-2-4-8(9)12/h2-5,11-12H,6-7H2,1H3
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6.50E+4n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
BindingDB Entry DOI: 10.7270/Q2CV4K23
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50428796
PNG
(CHEMBL466083 | Methyl 3-[(2-Hydroxyphenoxy)Sulfony...)
Show SMILES COC(=O)CCNS(=O)(=O)Oc1ccccc1O
Show InChI InChI=1S/C10H13NO6S/c1-16-10(13)6-7-11-18(14,15)17-9-5-3-2-4-8(9)12/h2-5,11-12H,6-7H2,1H3
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6.87E+4n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
BindingDB Entry DOI: 10.7270/Q2CV4K23
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50428796
PNG
(CHEMBL466083 | Methyl 3-[(2-Hydroxyphenoxy)Sulfony...)
Show SMILES COC(=O)CCNS(=O)(=O)Oc1ccccc1O
Show InChI InChI=1S/C10H13NO6S/c1-16-10(13)6-7-11-18(14,15)17-9-5-3-2-4-8(9)12/h2-5,11-12H,6-7H2,1H3
PDB
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PC sid
UniChem
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PubMed
8.87E+4n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
BindingDB Entry DOI: 10.7270/Q2CV4K23
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50428796
PNG
(CHEMBL466083 | Methyl 3-[(2-Hydroxyphenoxy)Sulfony...)
Show SMILES COC(=O)CCNS(=O)(=O)Oc1ccccc1O
Show InChI InChI=1S/C10H13NO6S/c1-16-10(13)6-7-11-18(14,15)17-9-5-3-2-4-8(9)12/h2-5,11-12H,6-7H2,1H3
PDB
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>2.00E+5n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
BindingDB Entry DOI: 10.7270/Q2CV4K23
More data for this
Ligand-Target Pair