BindingDB logo
myBDB logout

null

SMILES: COc1ccccc1COC(C1CNCCO1)c1cccc(I)c1

InChI Key: InChIKey=ROIAVNVAPGZKLU-UHFFFAOYSA-N

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 = 50198225   
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
Transporter


(Rattus norvegicus)
BDBM50198225
PNG
(2-((2-methoxybenzyloxy)(3-iodophenyl)methyl)morpho...)
Show SMILES COc1ccccc1COC(C1CNCCO1)c1cccc(I)c1 |w:11.17,10.10|
Show InChI InChI=1S/C19H22INO3/c1-22-17-8-3-2-5-15(17)13-24-19(18-12-21-9-10-23-18)14-6-4-7-16(20)11-14/h2-8,11,18-19,21H,9-10,12-13H2,1H3
Reactome pathway
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
73.8n/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 serotonin transporter


(Rattus norvegicus (rat))
BDBM50198225
PNG
(2-((2-methoxybenzyloxy)(3-iodophenyl)methyl)morpho...)
Show SMILES COc1ccccc1COC(C1CNCCO1)c1cccc(I)c1 |w:11.17,10.10|
Show InChI InChI=1S/C19H22INO3/c1-22-17-8-3-2-5-15(17)13-24-19(18-12-21-9-10-23-18)14-6-4-7-16(20)11-14/h2-8,11,18-19,21H,9-10,12-13H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
351n/an/an/an/an/an/an/an/a



Institute for Degenerative Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from SERT in 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))
BDBM50198225
PNG
(2-((2-methoxybenzyloxy)(3-iodophenyl)methyl)morpho...)
Show SMILES COc1ccccc1COC(C1CNCCO1)c1cccc(I)c1 |w:11.17,10.10|
Show InChI InChI=1S/C19H22INO3/c1-22-17-8-3-2-5-15(17)13-24-19(18-12-21-9-10-23-18)14-6-4-7-16(20)11-14/h2-8,11,18-19,21H,9-10,12-13H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
716n/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