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SMILES: O=C(Nc1ccc(cc1)C12CCC(CO1)NC2)c1ccc(OCC2CC2)cc1

InChI Key: InChIKey=WQSXXYNXALIWMF-UHFFFAOYSA-N

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 330167   
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


(Rattus norvegicus (Rat))
BDBM330167
PNG
((RS)-4-(Cyclopropylmethoxy)-N-[4-(5-oxa-2-azabicyc...)
Show SMILES O=C(Nc1ccc(cc1)C12CCC(CO1)NC2)c1ccc(OCC2CC2)cc1
Show InChI InChI=1S/C23H26N2O3/c26-22(17-3-9-21(10-4-17)27-13-16-1-2-16)25-19-7-5-18(6-8-19)23-12-11-20(14-28-23)24-15-23/h3-10,16,20,24H,1-2,11-15H2,(H,25,26)
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KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.22E+3n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-293 cells stably expressing mouse TAAR1 were maintained at 37° C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat ...


US Patent US9663530 (2017)


BindingDB Entry DOI: 10.7270/Q2VX0JMC
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Mus musculus (Mouse))
BDBM330167
PNG
((RS)-4-(Cyclopropylmethoxy)-N-[4-(5-oxa-2-azabicyc...)
Show SMILES O=C(Nc1ccc(cc1)C12CCC(CO1)NC2)c1ccc(OCC2CC2)cc1
Show InChI InChI=1S/C23H26N2O3/c26-22(17-3-9-21(10-4-17)27-13-16-1-2-16)25-19-7-5-18(6-8-19)23-12-11-20(14-28-23)24-15-23/h3-10,16,20,24H,1-2,11-15H2,(H,25,26)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 19n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-293 cells stably expressing rat TAAR1 were maintained at 37° C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat in...


US Patent US9663530 (2017)


BindingDB Entry DOI: 10.7270/Q2VX0JMC
More data for this
Ligand-Target Pair