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SMILES: [O-][N+](=O)c1ccccc1COC(C1CNCCO1)c1cccc(I)c1

InChI Key: InChIKey=UHXNRRQHOOUQNZ-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50198231   
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


(Rattus norvegicus (rat))
BDBM50198231
PNG
(2-((2-nitrobenzyloxy)(3-iodophenyl)methyl)morpholi...)
Show SMILES [O-][N+](=O)c1ccccc1COC(C1CNCCO1)c1cccc(I)c1 |w:12.13,11.11|
Show InChI InChI=1S/C18H19IN2O4/c19-15-6-3-5-13(10-15)18(17-11-20-8-9-24-17)25-12-14-4-1-2-7-16(14)21(22)23/h1-7,10,17-18,20H,8-9,11-12H2
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
14.2n/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
Transporter


(Rattus norvegicus)
BDBM50198231
PNG
(2-((2-nitrobenzyloxy)(3-iodophenyl)methyl)morpholi...)
Show SMILES [O-][N+](=O)c1ccccc1COC(C1CNCCO1)c1cccc(I)c1 |w:12.13,11.11|
Show InChI InChI=1S/C18H19IN2O4/c19-15-6-3-5-13(10-15)18(17-11-20-8-9-24-17)25-12-14-4-1-2-7-16(14)21(22)23/h1-7,10,17-18,20H,8-9,11-12H2
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UniProtKB/TrEMBL

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CHEMBL
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PC sid
UniChem
Article
PubMed
70.4n/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))
BDBM50198231
PNG
(2-((2-nitrobenzyloxy)(3-iodophenyl)methyl)morpholi...)
Show SMILES [O-][N+](=O)c1ccccc1COC(C1CNCCO1)c1cccc(I)c1 |w:12.13,11.11|
Show InChI InChI=1S/C18H19IN2O4/c19-15-6-3-5-13(10-15)18(17-11-20-8-9-24-17)25-12-14-4-1-2-7-16(14)21(22)23/h1-7,10,17-18,20H,8-9,11-12H2
PDB

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UniProtKB/SwissProt

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PC sid
UniChem
Article
PubMed
252n/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