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SMILES: ONS(=O)(=O)NC1OC[C@H](O)C=C1

InChI Key: InChIKey=DBEVYDLFTVHBDS-CNZKWPKMSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50035175   
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))
BDBM50035175
PNG
(CHEMBL3343325)
Show SMILES ONS(=O)(=O)NC1OC[C@H](O)C=C1 |r,c:11|
Show InChI InChI=1S/C5H10N2O5S/c8-4-1-2-5(12-3-4)6-13(10,11)7-9/h1-2,4-9H,3H2/t4-,5?/m1/s1
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MMDB

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Article
PubMed
9n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA9 catalytic domain by stopped flow CO2 hydration assay


Bioorg Med Chem 22: 6353-9 (2014)


Article DOI: 10.1016/j.bmc.2014.09.053
BindingDB Entry DOI: 10.7270/Q2VD713X
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50035175
PNG
(CHEMBL3343325)
Show SMILES ONS(=O)(=O)NC1OC[C@H](O)C=C1 |r,c:11|
Show InChI InChI=1S/C5H10N2O5S/c8-4-1-2-5(12-3-4)6-13(10,11)7-9/h1-2,4-9H,3H2/t4-,5?/m1/s1
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Article
PubMed
85n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human full length CA2 by stopped flow CO2 hydration assay


Bioorg Med Chem 22: 6353-9 (2014)


Article DOI: 10.1016/j.bmc.2014.09.053
BindingDB Entry DOI: 10.7270/Q2VD713X
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50035175
PNG
(CHEMBL3343325)
Show SMILES ONS(=O)(=O)NC1OC[C@H](O)C=C1 |r,c:11|
Show InChI InChI=1S/C5H10N2O5S/c8-4-1-2-5(12-3-4)6-13(10,11)7-9/h1-2,4-9H,3H2/t4-,5?/m1/s1
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Article
PubMed
415n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA12 catalytic domain by stopped flow CO2 hydration assay


Bioorg Med Chem 22: 6353-9 (2014)


Article DOI: 10.1016/j.bmc.2014.09.053
BindingDB Entry DOI: 10.7270/Q2VD713X
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50035175
PNG
(CHEMBL3343325)
Show SMILES ONS(=O)(=O)NC1OC[C@H](O)C=C1 |r,c:11|
Show InChI InChI=1S/C5H10N2O5S/c8-4-1-2-5(12-3-4)6-13(10,11)7-9/h1-2,4-9H,3H2/t4-,5?/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human full length CA1 by stopped flow CO2 hydration assay


Bioorg Med Chem 22: 6353-9 (2014)


Article DOI: 10.1016/j.bmc.2014.09.053
BindingDB Entry DOI: 10.7270/Q2VD713X
More data for this
Ligand-Target Pair