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SMILES: NC(=O)c1c(COc2ccc(cc2)S(N)(=O)=O)no[n+]1[O-]

InChI Key: InChIKey=RYDQQXUVUQDAFA-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50050902   
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 12


(Homo sapiens (Human))
BDBM50050902
PNG
(CHEMBL3309376)
Show SMILES NC(=O)c1c(COc2ccc(cc2)S(N)(=O)=O)no[n+]1[O-]
Show InChI InChI=1S/C10H10N4O6S/c11-10(15)9-8(13-20-14(9)16)5-19-6-1-3-7(4-2-6)21(12,17)18/h1-4H,5H2,(H2,11,15)(H2,12,17,18)
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Article
PubMed
30n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA12 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
BindingDB Entry DOI: 10.7270/Q2Q241WD
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50050902
PNG
(CHEMBL3309376)
Show SMILES NC(=O)c1c(COc2ccc(cc2)S(N)(=O)=O)no[n+]1[O-]
Show InChI InChI=1S/C10H10N4O6S/c11-10(15)9-8(13-20-14(9)16)5-19-6-1-3-7(4-2-6)21(12,17)18/h1-4H,5H2,(H2,11,15)(H2,12,17,18)
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Article
PubMed
32n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA9 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
BindingDB Entry DOI: 10.7270/Q2Q241WD
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50050902
PNG
(CHEMBL3309376)
Show SMILES NC(=O)c1c(COc2ccc(cc2)S(N)(=O)=O)no[n+]1[O-]
Show InChI InChI=1S/C10H10N4O6S/c11-10(15)9-8(13-20-14(9)16)5-19-6-1-3-7(4-2-6)21(12,17)18/h1-4H,5H2,(H2,11,15)(H2,12,17,18)
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Article
PubMed
113n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA2 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
BindingDB Entry DOI: 10.7270/Q2Q241WD
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50050902
PNG
(CHEMBL3309376)
Show SMILES NC(=O)c1c(COc2ccc(cc2)S(N)(=O)=O)no[n+]1[O-]
Show InChI InChI=1S/C10H10N4O6S/c11-10(15)9-8(13-20-14(9)16)5-19-6-1-3-7(4-2-6)21(12,17)18/h1-4H,5H2,(H2,11,15)(H2,12,17,18)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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PC sid
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Similars

Article
PubMed
229n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA1 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
BindingDB Entry DOI: 10.7270/Q2Q241WD
More data for this
Ligand-Target Pair