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BDBM50104814 2-(4-Benzyl-2-methoxy-phenyl)-ethylamine::CHEMBL111061

SMILES: COc1cc(Cc2ccccc2)ccc1CCN

InChI Key: InChIKey=GZYAWROTEPNHRQ-UHFFFAOYSA-N

Data: 2 KI

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 = 50104814   
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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50104814
PNG
(2-(4-Benzyl-2-methoxy-phenyl)-ethylamine | CHEMBL1...)
Show SMILES COc1cc(Cc2ccccc2)ccc1CCN
Show InChI InChI=1S/C16H19NO/c1-18-16-12-14(7-8-15(16)9-10-17)11-13-5-3-2-4-6-13/h2-8,12H,9-11,17H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
23n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against rat 5-hydroxytryptamine 2A receptor using [3H]-Ketanserin as radioligand


J Med Chem 44: 3283-91 (2001)


Article DOI: 10.1021/jm0100739
BindingDB Entry DOI: 10.7270/Q2MW2GFJ
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM50104814
PNG
(2-(4-Benzyl-2-methoxy-phenyl)-ethylamine | CHEMBL1...)
Show SMILES COc1cc(Cc2ccccc2)ccc1CCN
Show InChI InChI=1S/C16H19NO/c1-18-16-12-14(7-8-15(16)9-10-17)11-13-5-3-2-4-6-13/h2-8,12H,9-11,17H2,1H3
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
93n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against rat 5-hydroxytryptamine 2C receptor using [3H]-mesulergine as radioligand


J Med Chem 44: 3283-91 (2001)


Article DOI: 10.1021/jm0100739
BindingDB Entry DOI: 10.7270/Q2MW2GFJ
More data for this
Ligand-Target Pair