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SMILES: O=C(Nc1ccc(cc1)C12CCC(CO1)NC2)c1cnc(nc1)C1CC1

InChI Key: InChIKey=MEQVCQXPQBHLGH-UHFFFAOYSA-N

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 2 hits for monomerid = 330170   
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))
BDBM330170
PNG
((RS)-2-Cyclopropyl-N-[4-(5-oxa-2-azabicyclo[2.2.2]...)
Show SMILES O=C(Nc1ccc(cc1)C12CCC(CO1)NC2)c1cnc(nc1)C1CC1
Show InChI InChI=1S/C20H22N4O2/c25-19(14-9-21-18(22-10-14)13-1-2-13)24-16-5-3-15(4-6-16)20-8-7-17(11-26-20)23-12-20/h3-6,9-10,13,17,23H,1-2,7-8,11-12H2,(H,24,25)
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KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/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))
BDBM330170
PNG
((RS)-2-Cyclopropyl-N-[4-(5-oxa-2-azabicyclo[2.2.2]...)
Show SMILES O=C(Nc1ccc(cc1)C12CCC(CO1)NC2)c1cnc(nc1)C1CC1
Show InChI InChI=1S/C20H22N4O2/c25-19(14-9-21-18(22-10-14)13-1-2-13)24-16-5-3-15(4-6-16)20-8-7-17(11-26-20)23-12-20/h3-6,9-10,13,17,23H,1-2,7-8,11-12H2,(H,24,25)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 136n/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