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BDBM50024201 (+/-)2-(3,4-Dimethoxy-phenyl)-1-methyl-ethylamine::2-(2,3-Dimethoxy-phenyl)-1-methyl-ethylamine::2-(3,4-Dimethoxy-phenyl)-1-methyl-ethylamine::2-(3,4-Dimethoxy-phenyl)-1-methyl-ethylamine(3,4-DMA)::CHEMBL277540

SMILES: COc1ccc(CC(C)N)cc1OC

InChI Key: InChIKey=KAZPHAGSWZTKDW-UHFFFAOYSA-N

Data: 2 KI  1 IC50  1 Kd

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 4 hits for monomerid = 50024201   
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
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50024201
PNG
((+/-)2-(3,4-Dimethoxy-phenyl)-1-methyl-ethylamine ...)
Show SMILES COc1ccc(CC(C)N)cc1OC
Show InChI InChI=1S/C11H17NO2/c1-8(12)6-9-4-5-10(13-2)11(7-9)14-3/h4-5,7-8H,6,12H2,1-3H3
PDB
MMDB

UniProtKB/SwissProt

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DrugBank
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CHEMBL
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Article
PubMed
n/an/a 2.00E+4n/an/an/an/an/an/a



Universidad de Chile

Curated by ChEMBL


Assay Description
Inhibitory concentration against monoamine oxidase A in rat brain mitochondrial suspension


J Med Chem 48: 2407-19 (2005)


Article DOI: 10.1021/jm0493109
BindingDB Entry DOI: 10.7270/Q27080XX
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2b (5HT2A and 5HT2B)


(RAT)
BDBM50024201
PNG
((+/-)2-(3,4-Dimethoxy-phenyl)-1-methyl-ethylamine ...)
Show SMILES COc1ccc(CC(C)N)cc1OC
Show InChI InChI=1S/C11H17NO2/c1-8(12)6-9-4-5-10(13-2)11(7-9)14-3/h4-5,7-8H,6,12H2,1-3H3
KEGG

UniProtKB/SwissProt

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PubMed
n/an/an/a 3.55E+3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity against 5-hydroxytryptamine 2B receptor in the isolated rat stomach fundus


J Med Chem 24: 1414-21 (1982)


Article DOI: 10.1021/jm00144a009
BindingDB Entry DOI: 10.7270/Q2SX6FD3
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50024201
PNG
((+/-)2-(3,4-Dimethoxy-phenyl)-1-methyl-ethylamine ...)
Show SMILES COc1ccc(CC(C)N)cc1OC
Show InChI InChI=1S/C11H17NO2/c1-8(12)6-9-4-5-10(13-2)11(7-9)14-3/h4-5,7-8H,6,12H2,1-3H3
UniProtKB/SwissProt

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PubMed
4.33E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to rat cortical membranes at 5-hydroxytryptamine 2 (5-HT2) receptor using [3H]KET as a radioligand


J Med Chem 30: 1-12 (1987)


Article DOI: 10.1021/jm00384a001
BindingDB Entry DOI: 10.7270/Q29K4BS7
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50024201
PNG
((+/-)2-(3,4-Dimethoxy-phenyl)-1-methyl-ethylamine ...)
Show SMILES COc1ccc(CC(C)N)cc1OC
Show InChI InChI=1S/C11H17NO2/c1-8(12)6-9-4-5-10(13-2)11(7-9)14-3/h4-5,7-8H,6,12H2,1-3H3
PDB
MMDB

UniProtKB/SwissProt

GoogleScholar
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Purchase

CHEMBL
PC cid
PC sid
UniChem

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Similars

Article
PubMed
6.46E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for binding affinity towards rat cortical membranes at 5-hydroxytryptamine 1 receptor binding site by using [3H]-5-HT as a radioligand.


J Med Chem 30: 1-12 (1987)


Article DOI: 10.1021/jm00384a001
BindingDB Entry DOI: 10.7270/Q29K4BS7
More data for this
Ligand-Target Pair