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BDBM50247119 (2-butylbenzofuran-3-yl)(4-(2-(ethylamino)ethoxy)-3-iodophenyl)methanone::CHEMBL447626

SMILES: CCCCc1oc2ccccc2c1C(=O)c1ccc(OCCNCC)c(I)c1

InChI Key: InChIKey=CFVCYTDXVQNGLP-UHFFFAOYSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50247119   
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
Trace amine-associated receptor 1 (TAAR1)


(Rattus norvegicus (Rat))
BDBM50247119
PNG
((2-butylbenzofuran-3-yl)(4-(2-(ethylamino)ethoxy)-...)
Show SMILES CCCCc1oc2ccccc2c1C(=O)c1ccc(OCCNCC)c(I)c1
Show InChI InChI=1S/C23H26INO3/c1-3-5-9-21-22(17-8-6-7-10-19(17)28-21)23(26)16-11-12-20(18(24)15-16)27-14-13-25-4-2/h6-8,10-12,15,25H,3-5,9,13-14H2,1-2H3
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Article
PubMed
n/an/an/an/a 33n/an/an/an/a



University of California San Francisco

Curated by ChEMBL


Assay Description
Antagonist activity at rat TAAR1 expressed in HEK293 cells assessed as intracellular cAMP level


Bioorg Med Chem Lett 18: 5920-2 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.013
BindingDB Entry DOI: 10.7270/Q2HQ3ZQN
More data for this
Ligand-Target Pair