BindingDB logo
myBDB logout

BDBM50243158 CHEMBL487869::cis-3-(2-methoxyphenoxy)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine

SMILES: COc1ccccc1O[C@H]1C[C@@H](N(C)C)c2ccccc12

InChI Key: InChIKey=CAAOEKZYPZJLCR-QAPCUYQASA-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 = 50243158   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50243158
PNG
(CHEMBL487869 | cis-3-(2-methoxyphenoxy)-N,N-dimeth...)
Show SMILES COc1ccccc1O[C@H]1C[C@@H](N(C)C)c2ccccc12
Show InChI InChI=1S/C18H21NO2/c1-19(2)15-12-18(14-9-5-4-8-13(14)15)21-17-11-7-6-10-16(17)20-3/h4-11,15,18H,12H2,1-3H3/t15-,18+/m1/s1
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

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))
BDBM50243158
PNG
(CHEMBL487869 | cis-3-(2-methoxyphenoxy)-N,N-dimeth...)
Show SMILES COc1ccccc1O[C@H]1C[C@@H](N(C)C)c2ccccc12
Show InChI InChI=1S/C18H21NO2/c1-19(2)15-12-18(14-9-5-4-8-13(14)15)21-17-11-7-6-10-16(17)20-3/h4-11,15,18H,12H2,1-3H3/t15-,18+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.50E+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))
BDBM50243158
PNG
(CHEMBL487869 | cis-3-(2-methoxyphenoxy)-N,N-dimeth...)
Show SMILES COc1ccccc1O[C@H]1C[C@@H](N(C)C)c2ccccc12
Show InChI InChI=1S/C18H21NO2/c1-19(2)15-12-18(14-9-5-4-8-13(14)15)21-17-11-7-6-10-16(17)20-3/h4-11,15,18H,12H2,1-3H3/t15-,18+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
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 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