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BDBM50020509 7-Methoxy-1,2,3,4-tetrahydro-naphthalen-2-ylamine::CHEMBL422274

SMILES: COc1ccc2CCC(N)Cc2c1

InChI Key: InChIKey=ZNWNWWLWFCCREO-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50020509   
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
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50020509
PNG
(7-Methoxy-1,2,3,4-tetrahydro-naphthalen-2-ylamine ...)
Show SMILES COc1ccc2CCC(N)Cc2c1
Show InChI InChI=1S/C11H15NO/c1-13-11-5-3-8-2-4-10(12)6-9(8)7-11/h3,5,7,10H,2,4,6,12H2,1H3
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Article
PubMed
2.22E+3n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by calculating competition for [3H]spiperone binding on Dopamine receptor D3 expressed on CHO K-1 cells.


J Med Chem 39: 4233-7 (1996)


Article DOI: 10.1021/jm960345l
BindingDB Entry DOI: 10.7270/Q21C1XJF
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50020509
PNG
(7-Methoxy-1,2,3,4-tetrahydro-naphthalen-2-ylamine ...)
Show SMILES COc1ccc2CCC(N)Cc2c1
Show InChI InChI=1S/C11H15NO/c1-13-11-5-3-8-2-4-10(12)6-9(8)7-11/h3,5,7,10H,2,4,6,12H2,1H3
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CHEMBL
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PC sid
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Article
PubMed
>3.33E+3n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by calculating competition for [3H]spiperone binding on Dopamine receptor D4.2 of CHO K-1 cells.


J Med Chem 39: 4233-7 (1996)


Article DOI: 10.1021/jm960345l
BindingDB Entry DOI: 10.7270/Q21C1XJF
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50020509
PNG
(7-Methoxy-1,2,3,4-tetrahydro-naphthalen-2-ylamine ...)
Show SMILES COc1ccc2CCC(N)Cc2c1
Show InChI InChI=1S/C11H15NO/c1-13-11-5-3-8-2-4-10(12)6-9(8)7-11/h3,5,7,10H,2,4,6,12H2,1H3
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CHEMBL
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PC sid
UniChem

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Article
PubMed
5.83E+3n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by calculating competition for [3H]spiperone binding on Dopamine receptor D2L of CHO K-1 cells.


J Med Chem 39: 4233-7 (1996)


Article DOI: 10.1021/jm960345l
BindingDB Entry DOI: 10.7270/Q21C1XJF
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50020509
PNG
(7-Methoxy-1,2,3,4-tetrahydro-naphthalen-2-ylamine ...)
Show SMILES COc1ccc2CCC(N)Cc2c1
Show InChI InChI=1S/C11H15NO/c1-13-11-5-3-8-2-4-10(12)6-9(8)7-11/h3,5,7,10H,2,4,6,12H2,1H3
PDB

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CHEMBL
PC cid
PC sid
UniChem

Patents


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Article
PubMed
2.28E+5n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine phenylethanolamine N-methyl-transferase


J Med Chem 32: 478-86 (1989)


Article DOI: 10.1021/jm00122a032
BindingDB Entry DOI: 10.7270/Q2P55P32
More data for this
Ligand-Target Pair