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BDBM50319823 1-(1-(3-fluorophenyl)-2-(2-methoxyphenyl)ethyl)piperazine::CHEMBL1085321

SMILES: COc1ccccc1CC(N1CCNCC1)c1cccc(F)c1

InChI Key: InChIKey=WHMNJJQFCNBWSW-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 = 50319823   
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))
BDBM50319823
PNG
(1-(1-(3-fluorophenyl)-2-(2-methoxyphenyl)ethyl)pip...)
Show SMILES COc1ccccc1CC(N1CCNCC1)c1cccc(F)c1
Show InChI InChI=1S/C19H23FN2O/c1-23-19-8-3-2-5-16(19)14-18(22-11-9-21-10-12-22)15-6-4-7-17(20)13-15/h2-8,13,18,21H,9-12,14H2,1H3
PDB

KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
8n/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))
BDBM50319823
PNG
(1-(1-(3-fluorophenyl)-2-(2-methoxyphenyl)ethyl)pip...)
Show SMILES COc1ccccc1CC(N1CCNCC1)c1cccc(F)c1
Show InChI InChI=1S/C19H23FN2O/c1-23-19-8-3-2-5-16(19)14-18(22-11-9-21-10-12-22)15-6-4-7-17(20)13-15/h2-8,13,18,21H,9-12,14H2,1H3
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KEGG

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PC cid
PC sid
UniChem
Article
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30n/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))
BDBM50319823
PNG
(1-(1-(3-fluorophenyl)-2-(2-methoxyphenyl)ethyl)pip...)
Show SMILES COc1ccccc1CC(N1CCNCC1)c1cccc(F)c1
Show InChI InChI=1S/C19H23FN2O/c1-23-19-8-3-2-5-16(19)14-18(22-11-9-21-10-12-22)15-6-4-7-17(20)13-15/h2-8,13,18,21H,9-12,14H2,1H3
NCI pathway
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PC sid
UniChem
Article
PubMed
4.06E+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))
BDBM50319823
PNG
(1-(1-(3-fluorophenyl)-2-(2-methoxyphenyl)ethyl)pip...)
Show SMILES COc1ccccc1CC(N1CCNCC1)c1cccc(F)c1
Show InChI InChI=1S/C19H23FN2O/c1-23-19-8-3-2-5-16(19)14-18(22-11-9-21-10-12-22)15-6-4-7-17(20)13-15/h2-8,13,18,21H,9-12,14H2,1H3
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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n/an/a>2.25E+4n/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