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SMILES: NCCc1ccc(OCc2ccc(cc2)[N+]([O-])=O)cc1

InChI Key: InChIKey=NSJVDMNNZOQWPO-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 = 50181814   
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


(Mus musculus (Mouse))
BDBM50181814
PNG
(CHEMBL201993 | O-(p-nitro)benzyl-tyramine)
Show SMILES NCCc1ccc(OCc2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C15H16N2O3/c16-10-9-12-3-7-15(8-4-12)20-11-13-1-5-14(6-2-13)17(18)19/h1-8H,9-11,16H2
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 21.5n/an/an/an/a



University of California at San Francisco

Curated by ChEMBL


Assay Description
Activity at mouse TAAR1 by measuring cAMP accumulation in HEK293 cells


J Med Chem 49: 1101-12 (2006)


Article DOI: 10.1021/jm0505718
BindingDB Entry DOI: 10.7270/Q2416WNR
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))
BDBM50181814
PNG
(CHEMBL201993 | O-(p-nitro)benzyl-tyramine)
Show SMILES NCCc1ccc(OCc2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C15H16N2O3/c16-10-9-12-3-7-15(8-4-12)20-11-13-1-5-14(6-2-13)17(18)19/h1-8H,9-11,16H2
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 64n/an/an/an/a



University of California at San Francisco

Curated by ChEMBL


Assay Description
Activity at rat TAAR1 by measuring cAMP accumulation in HEK293 cells


J Med Chem 49: 1101-12 (2006)


Article DOI: 10.1021/jm0505718
BindingDB Entry DOI: 10.7270/Q2416WNR
More data for this
Ligand-Target Pair