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SMILES: OS(=O)(=O)c1ccc(CNCc2ccccc2)o1

InChI Key: InChIKey=XSELUGDRPCBUOQ-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50294026   
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 1


(Homo sapiens (Human))
BDBM50294026
PNG
(CHEMBL561761 | N-(5-Methane-2-furansulfonicacid)(p...)
Show SMILES OS(=O)(=O)c1ccc(CNCc2ccccc2)o1
Show InChI InChI=1S/C12H13NO4S/c14-18(15,16)12-7-6-11(17-12)9-13-8-10-4-2-1-3-5-10/h1-7,13H,8-9H2,(H,14,15,16)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.49E+3n/an/an/an/an/an/an/an/a



ENSCM/UMII/UMR-CNRS 5635

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes carbonic anhydrase 1 by CO2 hydration assay


J Med Chem 52: 4853-9 (2009)


Article DOI: 10.1021/jm900449v
BindingDB Entry DOI: 10.7270/Q26M36VH
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50294026
PNG
(CHEMBL561761 | N-(5-Methane-2-furansulfonicacid)(p...)
Show SMILES OS(=O)(=O)c1ccc(CNCc2ccccc2)o1
Show InChI InChI=1S/C12H13NO4S/c14-18(15,16)12-7-6-11(17-12)9-13-8-10-4-2-1-3-5-10/h1-7,13H,8-9H2,(H,14,15,16)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
8.03E+3n/an/an/an/an/an/an/an/a



ENSCM/UMII/UMR-CNRS 5635

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes carbonic anhydrase 2 by CO2 hydration assay


J Med Chem 52: 4853-9 (2009)


Article DOI: 10.1021/jm900449v
BindingDB Entry DOI: 10.7270/Q26M36VH
More data for this
Ligand-Target Pair