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BDBM44199 5-[(2-bromanylphenoxy)methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide::5-[(2-bromophenoxy)methyl]-N-(3-pyridinylmethyl)-2-furamide::5-[(2-bromophenoxy)methyl]-N-(3-pyridinylmethyl)-2-furancarboxamide::5-[(2-bromophenoxy)methyl]-N-(3-pyridylmethyl)-2-furamide::5-[(2-bromophenoxy)methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide::MLS000099220::SMR000073419::cid_1269632

SMILES: Brc1ccccc1OCc1ccc(o1)C(=O)NCc1cccnc1

InChI Key: InChIKey=KZPYDKMYCWKOMW-UHFFFAOYSA-N

Data: 2 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 44199   
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))
BDBM44199
PNG
(5-[(2-bromanylphenoxy)methyl]-N-(pyridin-3-ylmethy...)
Show SMILES Brc1ccccc1OCc1ccc(o1)C(=O)NCc1cccnc1
Show InChI InChI=1S/C18H15BrN2O3/c19-15-5-1-2-6-16(15)23-12-14-7-8-17(24-14)18(22)21-11-13-4-3-9-20-10-13/h1-10H,11-12H2,(H,21,22)
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.38E+4n/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))
BDBM44199
PNG
(5-[(2-bromanylphenoxy)methyl]-N-(pyridin-3-ylmethy...)
Show SMILES Brc1ccccc1OCc1ccc(o1)C(=O)NCc1cccnc1
Show InChI InChI=1S/C18H15BrN2O3/c19-15-5-1-2-6-16(15)23-12-14-7-8-17(24-14)18(22)21-11-13-4-3-9-20-10-13/h1-10H,11-12H2,(H,21,22)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 9.14E+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