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BDBM50243267 (2R,4R)-N-methyl-4-(o-tolyloxy)-1,2,3,4-tetrahydronaphthalen-2-amine::CHEMBL453062

SMILES: CN[C@H]1C[C@@H](Oc2ccccc2C)c2ccccc2C1

InChI Key: InChIKey=FDBFTQAPQQWDDD-CRAIPNDOSA-N

Data: 3 IC50

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 3 hits for monomerid = 50243267   
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
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50243267
PNG
((2R,4R)-N-methyl-4-(o-tolyloxy)-1,2,3,4-tetrahydro...)
Show SMILES CN[C@H]1C[C@@H](Oc2ccccc2C)c2ccccc2C1 |r|
Show InChI InChI=1S/C18H21NO/c1-13-7-3-6-10-17(13)20-18-12-15(19-2)11-14-8-4-5-9-16(14)18/h3-10,15,18-19H,11-12H2,1-2H3/t15-,18-/m1/s1
NCI pathway
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KEGG

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of dopamine uptake at human DAT in human HEK293 cells


Bioorg Med Chem Lett 18: 4224-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.057
BindingDB Entry DOI: 10.7270/Q2T154J4
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50243267
PNG
((2R,4R)-N-methyl-4-(o-tolyloxy)-1,2,3,4-tetrahydro...)
Show SMILES CN[C@H]1C[C@@H](Oc2ccccc2C)c2ccccc2C1 |r|
Show InChI InChI=1S/C18H21NO/c1-13-7-3-6-10-17(13)20-18-12-15(19-2)11-14-8-4-5-9-16(14)18/h3-10,15,18-19H,11-12H2,1-2H3/t15-,18-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.00E+3n/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at human SERT in human HEK293 cells


Bioorg Med Chem Lett 18: 4224-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.057
BindingDB Entry DOI: 10.7270/Q2T154J4
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50243267
PNG
((2R,4R)-N-methyl-4-(o-tolyloxy)-1,2,3,4-tetrahydro...)
Show SMILES CN[C@H]1C[C@@H](Oc2ccccc2C)c2ccccc2C1 |r|
Show InChI InChI=1S/C18H21NO/c1-13-7-3-6-10-17(13)20-18-12-15(19-2)11-14-8-4-5-9-16(14)18/h3-10,15,18-19H,11-12H2,1-2H3/t15-,18-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 190n/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET in human HEK293 cells


Bioorg Med Chem Lett 18: 4224-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.057
BindingDB Entry DOI: 10.7270/Q2T154J4
More data for this
Ligand-Target Pair