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BDBM43960 3-ethoxy-4-fluoranyl-N-(phenylmethyl)benzenesulfonamide::3-ethoxy-4-fluoro-N-(phenylmethyl)benzenesulfonamide::MLS000100263::N-benzyl-3-ethoxy-4-fluoro-benzenesulfonamide::N-benzyl-3-ethoxy-4-fluorobenzenesulfonamide::SMR000082281::cid_2980747

SMILES: CCOc1cc(ccc1F)S(=O)(=O)NCc1ccccc1

InChI Key: InChIKey=ZQVABNYNMVPRIX-UHFFFAOYSA-N

Data: 3 EC50

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 3 hits for monomerid = 43960   
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
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens (Human))
BDBM43960
PNG
(3-ethoxy-4-fluoranyl-N-(phenylmethyl)benzenesulfon...)
Show SMILES CCOc1cc(ccc1F)S(=O)(=O)NCc1ccccc1
Show InChI InChI=1S/C15H16FNO3S/c1-2-20-15-10-13(8-9-14(15)16)21(18,19)17-11-12-6-4-3-5-7-12/h3-10,17H,2,11H2,1H3
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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 4.68E+3n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Gr...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2Q52N1X
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens (Human))
BDBM43960
PNG
(3-ethoxy-4-fluoranyl-N-(phenylmethyl)benzenesulfon...)
Show SMILES CCOc1cc(ccc1F)S(=O)(=O)NCc1ccccc1
Show InChI InChI=1S/C15H16FNO3S/c1-2-20-15-10-13(8-9-14(15)16)21(18,19)17-11-12-6-4-3-5-7-12/h3-10,17H,2,11H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 5.41E+3n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Gr...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2M32T6M
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens (Human))
BDBM43960
PNG
(3-ethoxy-4-fluoranyl-N-(phenylmethyl)benzenesulfon...)
Show SMILES CCOc1cc(ccc1F)S(=O)(=O)NCc1ccccc1
Show InChI InChI=1S/C15H16FNO3S/c1-2-20-15-10-13(8-9-14(15)16)21(18,19)17-11-12-6-4-3-5-7-12/h3-10,17H,2,11H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 5.92E+3n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Gr...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2TX3CSC
More data for this
Ligand-Target Pair