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BDBM65873 (3-bromo-4-methoxy-benzyl)-homopiperonyl-amine;oxalic acid::2-(1,3-benzodioxol-5-yl)-N-[(3-bromanyl-4-methoxy-phenyl)methyl]ethanamine;ethanedioic acid::2-(1,3-benzodioxol-5-yl)-N-[(3-bromo-4-methoxyphenyl)methyl]ethanamine;oxalic acid::MLS001197115::N-[2-(1,3-benzodioxol-5-yl)ethyl]-N-(3-bromo-4-methoxybenzyl)amine::SMR000555601::cid_17367790

SMILES: COc1ccc(CNCCc2ccc3OCOc3c2)cc1Br

InChI Key: InChIKey=RQPOKEOUHNXSGS-UHFFFAOYSA-N

Data: 1 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 65873   
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
inward rectifier potassium channel 2


(Mus musculus)
BDBM65873
PNG
((3-bromo-4-methoxy-benzyl)-homopiperonyl-amine;oxa...)
Show SMILES COc1ccc(CNCCc2ccc3OCOc3c2)cc1Br
Show InChI InChI=1S/C17H18BrNO3/c1-20-15-4-3-13(8-14(15)18)10-19-7-6-12-2-5-16-17(9-12)22-11-21-16/h2-5,8-9,19H,6-7,10-11H2,1H3
PDB
MMDB

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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 3.47E+4n/an/an/an/an/an/a



Johns Hopkins Ion Channel Center

Curated by PubChem BioAssay


Assay Description
Data Source: Johns Hopkins Ion Channel Center (JHICC) BioAssay Type: Confirmatory, Confirmatory Screening, Multiple Concentration Activity Observed. ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q23R0R98
More data for this
Ligand-Target Pair