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BDBM50319820 1-(2-(2-fluoro-6-methoxyphenyl)-1-phenylethyl)piperazine::CHEMBL1086274

SMILES: COc1cccc(F)c1CC(N1CCNCC1)c1ccccc1

InChI Key: InChIKey=FWSGTPZWDAUURJ-UHFFFAOYSA-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 = 50319820   
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 serotonin transporter


(Homo sapiens (Human))
BDBM50319820
PNG
(1-(2-(2-fluoro-6-methoxyphenyl)-1-phenylethyl)pipe...)
Show SMILES COc1cccc(F)c1CC(N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C19H23FN2O/c1-23-19-9-5-8-17(20)16(19)14-18(15-6-3-2-4-7-15)22-12-10-21-11-13-22/h2-9,18,21H,10-14H2,1H3
PDB

KEGG

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
9n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 3788-92 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.052
BindingDB Entry DOI: 10.7270/Q2SN09X4
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50319820
PNG
(1-(2-(2-fluoro-6-methoxyphenyl)-1-phenylethyl)pipe...)
Show SMILES COc1cccc(F)c1CC(N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C19H23FN2O/c1-23-19-9-5-8-17(20)16(19)14-18(15-6-3-2-4-7-15)22-12-10-21-11-13-22/h2-9,18,21H,10-14H2,1H3
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PC cid
PC sid
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Article
PubMed
27n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 3788-92 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.052
BindingDB Entry DOI: 10.7270/Q2SN09X4
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50319820
PNG
(1-(2-(2-fluoro-6-methoxyphenyl)-1-phenylethyl)pipe...)
Show SMILES COc1cccc(F)c1CC(N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C19H23FN2O/c1-23-19-9-5-8-17(20)16(19)14-18(15-6-3-2-4-7-15)22-12-10-21-11-13-22/h2-9,18,21H,10-14H2,1H3
NCI pathway
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Article
PubMed
2.37E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]dopamine from human DAT expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 20: 3788-92 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.052
BindingDB Entry DOI: 10.7270/Q2SN09X4
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50319820
PNG
(1-(2-(2-fluoro-6-methoxyphenyl)-1-phenylethyl)pipe...)
Show SMILES COc1cccc(F)c1CC(N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C19H23FN2O/c1-23-19-9-5-8-17(20)16(19)14-18(15-6-3-2-4-7-15)22-12-10-21-11-13-22/h2-9,18,21H,10-14H2,1H3
PDB
MMDB

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Article
PubMed
n/an/a 8.55E+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 20: 3788-92 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.052
BindingDB Entry DOI: 10.7270/Q2SN09X4
More data for this
Ligand-Target Pair