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BDBM50294020 CHEMBL550892::N-(5-Methane-2-furansulfonicacid)(4-sulfonamidephenyl)-ethanamine

SMILES: NS(=O)(=O)c1ccc(CCNCc2ccc(o2)S(O)(=O)=O)cc1

InChI Key: InChIKey=JMDDLWBKVUYEAH-UHFFFAOYSA-N

Data: 2 KI

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 2 hits for monomerid = 50294020   
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 2


(Homo sapiens (Human))
BDBM50294020
PNG
(CHEMBL550892 | N-(5-Methane-2-furansulfonicacid)(4...)
Show SMILES NS(=O)(=O)c1ccc(CCNCc2ccc(o2)S(O)(=O)=O)cc1
Show InChI InChI=1S/C13H16N2O6S2/c14-22(16,17)12-4-1-10(2-5-12)7-8-15-9-11-3-6-13(21-11)23(18,19)20/h1-6,15H,7-9H2,(H2,14,16,17)(H,18,19,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
7.60n/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
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50294020
PNG
(CHEMBL550892 | N-(5-Methane-2-furansulfonicacid)(4...)
Show SMILES NS(=O)(=O)c1ccc(CCNCc2ccc(o2)S(O)(=O)=O)cc1
Show InChI InChI=1S/C13H16N2O6S2/c14-22(16,17)12-4-1-10(2-5-12)7-8-15-9-11-3-6-13(21-11)23(18,19)20/h1-6,15H,7-9H2,(H2,14,16,17)(H,18,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
39n/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