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SMILES: C[C@@H]1OC(NS(=O)(=O)NO)C=C[C@H]1O

InChI Key: InChIKey=CUGGUHCRMNAZLX-YRZWDFBDSA-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 = 50035177   
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))
BDBM50035177
PNG
(CHEMBL3343326)
Show SMILES C[C@@H]1OC(NS(=O)(=O)NO)C=C[C@H]1O |r,c:10|
Show InChI InChI=1S/C6H12N2O5S/c1-4-5(9)2-3-6(13-4)7-14(11,12)8-10/h2-10H,1H3/t4-,5+,6?/m0/s1
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Article
PubMed
8n/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 12


(Homo sapiens (Human))
BDBM50035177
PNG
(CHEMBL3343326)
Show SMILES C[C@@H]1OC(NS(=O)(=O)NO)C=C[C@H]1O |r,c:10|
Show InChI InChI=1S/C6H12N2O5S/c1-4-5(9)2-3-6(13-4)7-14(11,12)8-10/h2-10H,1H3/t4-,5+,6?/m0/s1
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Article
PubMed
87n/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))
BDBM50035177
PNG
(CHEMBL3343326)
Show SMILES C[C@@H]1OC(NS(=O)(=O)NO)C=C[C@H]1O |r,c:10|
Show InChI InChI=1S/C6H12N2O5S/c1-4-5(9)2-3-6(13-4)7-14(11,12)8-10/h2-10H,1H3/t4-,5+,6?/m0/s1
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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
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50035177
PNG
(CHEMBL3343326)
Show SMILES C[C@@H]1OC(NS(=O)(=O)NO)C=C[C@H]1O |r,c:10|
Show InChI InChI=1S/C6H12N2O5S/c1-4-5(9)2-3-6(13-4)7-14(11,12)8-10/h2-10H,1H3/t4-,5+,6?/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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 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