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BDBM50297088 (S)-2-phenoxy-N-phenyl-N-(pyrrolidin-3-yl)benzamide::CHEMBL564935

SMILES: O=C(N([C@H]1CCNC1)c1ccccc1)c1ccccc1Oc1ccccc1

InChI Key: InChIKey=OOCIRVSPZDCFHT-IBGZPJMESA-N

Data: 3 KI  2 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 5 hits for monomerid = 50297088   
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))
BDBM50297088
PNG
((S)-2-phenoxy-N-phenyl-N-(pyrrolidin-3-yl)benzamid...)
Show SMILES O=C(N([C@H]1CCNC1)c1ccccc1)c1ccccc1Oc1ccccc1 |r|
Show InChI InChI=1S/C23H22N2O2/c26-23(25(19-15-16-24-17-19)18-9-3-1-4-10-18)21-13-7-8-14-22(21)27-20-11-5-2-6-12-20/h1-14,19,24H,15-17H2/t19-/m0/s1
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PC sid
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3n/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))
BDBM50297088
PNG
((S)-2-phenoxy-N-phenyl-N-(pyrrolidin-3-yl)benzamid...)
Show SMILES O=C(N([C@H]1CCNC1)c1ccccc1)c1ccccc1Oc1ccccc1 |r|
Show InChI InChI=1S/C23H22N2O2/c26-23(25(19-15-16-24-17-19)18-9-3-1-4-10-18)21-13-7-8-14-22(21)27-20-11-5-2-6-12-20/h1-14,19,24H,15-17H2/t19-/m0/s1
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Article
PubMed
68n/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))
BDBM50297088
PNG
((S)-2-phenoxy-N-phenyl-N-(pyrrolidin-3-yl)benzamid...)
Show SMILES O=C(N([C@H]1CCNC1)c1ccccc1)c1ccccc1Oc1ccccc1 |r|
Show InChI InChI=1S/C23H22N2O2/c26-23(25(19-15-16-24-17-19)18-9-3-1-4-10-18)21-13-7-8-14-22(21)27-20-11-5-2-6-12-20/h1-14,19,24H,15-17H2/t19-/m0/s1
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4.65E+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))
BDBM50297088
PNG
((S)-2-phenoxy-N-phenyl-N-(pyrrolidin-3-yl)benzamid...)
Show SMILES O=C(N([C@H]1CCNC1)c1ccccc1)c1ccccc1Oc1ccccc1 |r|
Show InChI InChI=1S/C23H22N2O2/c26-23(25(19-15-16-24-17-19)18-9-3-1-4-10-18)21-13-7-8-14-22(21)27-20-11-5-2-6-12-20/h1-14,19,24H,15-17H2/t19-/m0/s1
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n/an/a 2.81E+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
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50297088
PNG
((S)-2-phenoxy-N-phenyl-N-(pyrrolidin-3-yl)benzamid...)
Show SMILES O=C(N([C@H]1CCNC1)c1ccccc1)c1ccccc1Oc1ccccc1 |r|
Show InChI InChI=1S/C23H22N2O2/c26-23(25(19-15-16-24-17-19)18-9-3-1-4-10-18)21-13-7-8-14-22(21)27-20-11-5-2-6-12-20/h1-14,19,24H,15-17H2/t19-/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 5.54E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


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