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BDBM50198230 (S)-2-((S)-(2-iodophenoxy)(phenyl)methyl)morpholine::CHEMBL393236

SMILES: Ic1ccccc1O[C@H]([C@@H]1CNCCO1)c1ccccc1

InChI Key: InChIKey=BHMLFPOTZYRDKA-IRXDYDNUSA-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 = 50198230   
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)
BDBM50198230
PNG
((S)-2-((S)-(2-iodophenoxy)(phenyl)methyl)morpholin...)
Show SMILES Ic1ccccc1O[C@H]([C@@H]1CNCCO1)c1ccccc1
Show InChI InChI=1S/C17H18INO2/c18-14-8-4-5-9-15(14)21-17(13-6-2-1-3-7-13)16-12-19-10-11-20-16/h1-9,16-17,19H,10-12H2/t16-,17-/m0/s1
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UniProtKB/TrEMBL

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UniChem
Article
PubMed
0.840n/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
Transporter


(Rattus norvegicus (rat))
BDBM50198230
PNG
((S)-2-((S)-(2-iodophenoxy)(phenyl)methyl)morpholin...)
Show SMILES Ic1ccccc1O[C@H]([C@@H]1CNCCO1)c1ccccc1
Show InChI InChI=1S/C17H18INO2/c18-14-8-4-5-9-15(14)21-17(13-6-2-1-3-7-13)16-12-19-10-11-20-16/h1-9,16-17,19H,10-12H2/t16-,17-/m0/s1
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0.840n/an/an/an/an/an/an/an/a



University of Glasgow

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from NAT in Sprague-Dawley rat brain after 4 hrs by liquid scintillation analysis


Bioorg Med Chem Lett 19: 4996-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.064
BindingDB Entry DOI: 10.7270/Q22V2G5N
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50198230
PNG
((S)-2-((S)-(2-iodophenoxy)(phenyl)methyl)morpholin...)
Show SMILES Ic1ccccc1O[C@H]([C@@H]1CNCCO1)c1ccccc1
Show InChI InChI=1S/C17H18INO2/c18-14-8-4-5-9-15(14)21-17(13-6-2-1-3-7-13)16-12-19-10-11-20-16/h1-9,16-17,19H,10-12H2/t16-,17-/m0/s1
PDB

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40.4n/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
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM50198230
PNG
((S)-2-((S)-(2-iodophenoxy)(phenyl)methyl)morpholin...)
Show SMILES Ic1ccccc1O[C@H]([C@@H]1CNCCO1)c1ccccc1
Show InChI InChI=1S/C17H18INO2/c18-14-8-4-5-9-15(14)21-17(13-6-2-1-3-7-13)16-12-19-10-11-20-16/h1-9,16-17,19H,10-12H2/t16-,17-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
228n/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