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BDBM50198227 2-((2-ethoxyphenoxy)(3-iodophenyl)methyl)morpholine::CHEMBL394965

SMILES: CCOc1ccccc1OC(C1CNCCO1)c1cccc(I)c1

InChI Key: InChIKey=HSWOQTIYXJOYJD-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 = 50198227   
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
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50198227
PNG
(2-((2-ethoxyphenoxy)(3-iodophenyl)methyl)morpholin...)
Show SMILES CCOc1ccccc1OC(C1CNCCO1)c1cccc(I)c1 |w:11.12,10.10|
Show InChI InChI=1S/C19H22INO3/c1-2-22-16-8-3-4-9-17(16)24-19(18-13-21-10-11-23-18)14-6-5-7-15(20)12-14/h3-9,12,18-19,21H,2,10-11,13H2,1H3
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KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
28.5n/an/an/an/an/an/an/an/a



Institute for Degenerative Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from NET in rat brain membranes


Bioorg Med Chem Lett 17: 533-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.018
BindingDB Entry DOI: 10.7270/Q2WS8SX8
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50198227
PNG
(2-((2-ethoxyphenoxy)(3-iodophenyl)methyl)morpholin...)
Show SMILES CCOc1ccccc1OC(C1CNCCO1)c1cccc(I)c1 |w:11.12,10.10|
Show InChI InChI=1S/C19H22INO3/c1-2-22-16-8-3-4-9-17(16)24-19(18-13-21-10-11-23-18)14-6-5-7-15(20)12-14/h3-9,12,18-19,21H,2,10-11,13H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.14E+3n/an/an/an/an/an/an/an/a



Institute for Degenerative Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]GBR from DAT in rat brain membranes


Bioorg Med Chem Lett 17: 533-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.018
BindingDB Entry DOI: 10.7270/Q2WS8SX8
More data for this
Ligand-Target Pair