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BDBM50297107 (S)-N-methyl-2-phenoxy-N-(pyrrolidin-3-yl)benzamide::CHEMBL554336

SMILES: CN([C@H]1CCNC1)C(=O)c1ccccc1Oc1ccccc1

InChI Key: InChIKey=SKAPWNQXRANDFK-AWEZNQCLSA-N

Data: 3 KI  1 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 4 hits for monomerid = 50297107   
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 noradrenaline transporter


(Homo sapiens (Human))
BDBM50297107
PNG
((S)-N-methyl-2-phenoxy-N-(pyrrolidin-3-yl)benzamid...)
Show SMILES CN([C@H]1CCNC1)C(=O)c1ccccc1Oc1ccccc1 |r|
Show InChI InChI=1S/C18H20N2O2/c1-20(14-11-12-19-13-14)18(21)16-9-5-6-10-17(16)22-15-7-3-2-4-8-15/h2-10,14,19H,11-13H2,1H3/t14-/m0/s1
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PC cid
PC sid
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Article
PubMed
61n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human recombinant NET expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 4579-83 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.096
BindingDB Entry DOI: 10.7270/Q2NV9J96
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50297107
PNG
((S)-N-methyl-2-phenoxy-N-(pyrrolidin-3-yl)benzamid...)
Show SMILES CN([C@H]1CCNC1)C(=O)c1ccccc1Oc1ccccc1 |r|
Show InChI InChI=1S/C18H20N2O2/c1-20(14-11-12-19-13-14)18(21)16-9-5-6-10-17(16)22-15-7-3-2-4-8-15/h2-10,14,19H,11-13H2,1H3/t14-/m0/s1
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KEGG

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
661n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from human recombinant SERT expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 4579-83 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.096
BindingDB Entry DOI: 10.7270/Q2NV9J96
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50297107
PNG
((S)-N-methyl-2-phenoxy-N-(pyrrolidin-3-yl)benzamid...)
Show SMILES CN([C@H]1CCNC1)C(=O)c1ccccc1Oc1ccccc1 |r|
Show InChI InChI=1S/C18H20N2O2/c1-20(14-11-12-19-13-14)18(21)16-9-5-6-10-17(16)22-15-7-3-2-4-8-15/h2-10,14,19H,11-13H2,1H3/t14-/m0/s1
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PubMed
>3.16E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of radioligand from human recombinant DAT expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 4579-83 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.096
BindingDB Entry DOI: 10.7270/Q2NV9J96
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50297107
PNG
((S)-N-methyl-2-phenoxy-N-(pyrrolidin-3-yl)benzamid...)
Show SMILES CN([C@H]1CCNC1)C(=O)c1ccccc1Oc1ccccc1 |r|
Show InChI InChI=1S/C18H20N2O2/c1-20(14-11-12-19-13-14)18(21)16-9-5-6-10-17(16)22-15-7-3-2-4-8-15/h2-10,14,19H,11-13H2,1H3/t14-/m0/s1
PDB
MMDB

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PubMed
n/an/a 9.21E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human ERG


Bioorg Med Chem Lett 19: 4579-83 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.096
BindingDB Entry DOI: 10.7270/Q2NV9J96
More data for this
Ligand-Target Pair