new BindingDB logo
myBDB logout

BDBM50319828 (+)-1-(1-(2-fluorophenyl)-2-(2-(trifluoromethoxy)phenyl)ethyl)piperazine::(-)-1-(1-(2-fluorophenyl)-2-(2-(trifluoromethoxy)phenyl)ethyl)piperazine::1-(1-(2-FLUOROPHENYL)-2-(2-(TRIFLUOROMETHOXY)PHENYL)ETHYL)PIPERAZINE (ENANTIOMERIC MIX)::1-(1-(2-fluorophenyl)-2-(2-(trifluoromethoxy)phenyl)ethyl)piperazine::CHEMBL1083426

SMILES: Fc1ccccc1C(Cc1ccccc1OC(F)(F)F)N1CCNCC1

InChI Key: InChIKey=WARUECLCXNMKJR-UHFFFAOYSA-N

Data: 9 KI  5 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 14 hits for monomerid = 50319828   
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))
BDBM50319828
PNG
((+)-1-(1-(2-fluorophenyl)-2-(2-(trifluoromethoxy)p...)
Show SMILES Fc1ccccc1C(Cc1ccccc1OC(F)(F)F)N1CCNCC1
Show InChI InChI=1S/C19H20F4N2O/c20-16-7-3-2-6-15(16)17(25-11-9-24-10-12-25)13-14-5-1-4-8-18(14)26-19(21,22)23/h1-8,17,24H,9-13H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
17n/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 serotonin transporter


(Homo sapiens (Human))
BDBM50319828
PNG
((+)-1-(1-(2-fluorophenyl)-2-(2-(trifluoromethoxy)p...)
Show SMILES Fc1ccccc1C(Cc1ccccc1OC(F)(F)F)N1CCNCC1
Show InChI InChI=1S/C19H20F4N2O/c20-16-7-3-2-6-15(16)17(25-11-9-24-10-12-25)13-14-5-1-4-8-18(14)26-19(21,22)23/h1-8,17,24H,9-13H2
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
21n/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 serotonin transporter


(Homo sapiens (Human))
BDBM50319828
PNG
((+)-1-(1-(2-fluorophenyl)-2-(2-(trifluoromethoxy)p...)
Show SMILES Fc1ccccc1C(Cc1ccccc1OC(F)(F)F)N1CCNCC1
Show InChI InChI=1S/C19H20F4N2O/c20-16-7-3-2-6-15(16)17(25-11-9-24-10-12-25)13-14-5-1-4-8-18(14)26-19(21,22)23/h1-8,17,24H,9-13H2
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
24n/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 serotonin transporter


(Homo sapiens (Human))
BDBM50319828
PNG
((+)-1-(1-(2-fluorophenyl)-2-(2-(trifluoromethoxy)p...)
Show SMILES Fc1ccccc1C(Cc1ccccc1OC(F)(F)F)N1CCNCC1
Show InChI InChI=1S/C19H20F4N2O/c20-16-7-3-2-6-15(16)17(25-11-9-24-10-12-25)13-14-5-1-4-8-18(14)26-19(21,22)23/h1-8,17,24H,9-13H2
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
34n/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))
BDBM50319828
PNG
((+)-1-(1-(2-fluorophenyl)-2-(2-(trifluoromethoxy)p...)
Show SMILES Fc1ccccc1C(Cc1ccccc1OC(F)(F)F)N1CCNCC1
Show InChI InChI=1S/C19H20F4N2O/c20-16-7-3-2-6-15(16)17(25-11-9-24-10-12-25)13-14-5-1-4-8-18(14)26-19(21,22)23/h1-8,17,24H,9-13H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
46n/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 noradrenaline transporter


(Homo sapiens (Human))
BDBM50319828
PNG
((+)-1-(1-(2-fluorophenyl)-2-(2-(trifluoromethoxy)p...)
Show SMILES Fc1ccccc1C(Cc1ccccc1OC(F)(F)F)N1CCNCC1
Show InChI InChI=1S/C19H20F4N2O/c20-16-7-3-2-6-15(16)17(25-11-9-24-10-12-25)13-14-5-1-4-8-18(14)26-19(21,22)23/h1-8,17,24H,9-13H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
116n/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))
BDBM50319828
PNG
((+)-1-(1-(2-fluorophenyl)-2-(2-(trifluoromethoxy)p...)
Show SMILES Fc1ccccc1C(Cc1ccccc1OC(F)(F)F)N1CCNCC1
Show InChI InChI=1S/C19H20F4N2O/c20-16-7-3-2-6-15(16)17(25-11-9-24-10-12-25)13-14-5-1-4-8-18(14)26-19(21,22)23/h1-8,17,24H,9-13H2
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
>3.16E+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
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50319828
PNG
((+)-1-(1-(2-fluorophenyl)-2-(2-(trifluoromethoxy)p...)
Show SMILES Fc1ccccc1C(Cc1ccccc1OC(F)(F)F)N1CCNCC1
Show InChI InChI=1S/C19H20F4N2O/c20-16-7-3-2-6-15(16)17(25-11-9-24-10-12-25)13-14-5-1-4-8-18(14)26-19(21,22)23/h1-8,17,24H,9-13H2
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
>3.16E+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
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50319828
PNG
((+)-1-(1-(2-fluorophenyl)-2-(2-(trifluoromethoxy)p...)
Show SMILES Fc1ccccc1C(Cc1ccccc1OC(F)(F)F)N1CCNCC1
Show InChI InChI=1S/C19H20F4N2O/c20-16-7-3-2-6-15(16)17(25-11-9-24-10-12-25)13-14-5-1-4-8-18(14)26-19(21,22)23/h1-8,17,24H,9-13H2
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
>1.00E+4n/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))
BDBM50319828
PNG
((+)-1-(1-(2-fluorophenyl)-2-(2-(trifluoromethoxy)p...)
Show SMILES Fc1ccccc1C(Cc1ccccc1OC(F)(F)F)N1CCNCC1
Show InChI InChI=1S/C19H20F4N2O/c20-16-7-3-2-6-15(16)17(25-11-9-24-10-12-25)13-14-5-1-4-8-18(14)26-19(21,22)23/h1-8,17,24H,9-13H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 2.05E+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
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50319828
PNG
((+)-1-(1-(2-fluorophenyl)-2-(2-(trifluoromethoxy)p...)
Show SMILES Fc1ccccc1C(Cc1ccccc1OC(F)(F)F)N1CCNCC1
Show InChI InChI=1S/C19H20F4N2O/c20-16-7-3-2-6-15(16)17(25-11-9-24-10-12-25)13-14-5-1-4-8-18(14)26-19(21,22)23/h1-8,17,24H,9-13H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 3.10E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


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
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50319828
PNG
((+)-1-(1-(2-fluorophenyl)-2-(2-(trifluoromethoxy)p...)
Show SMILES Fc1ccccc1C(Cc1ccccc1OC(F)(F)F)N1CCNCC1
Show InChI InChI=1S/C19H20F4N2O/c20-16-7-3-2-6-15(16)17(25-11-9-24-10-12-25)13-14-5-1-4-8-18(14)26-19(21,22)23/h1-8,17,24H,9-13H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 3.50E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


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))
BDBM50319828
PNG
((+)-1-(1-(2-fluorophenyl)-2-(2-(trifluoromethoxy)p...)
Show SMILES Fc1ccccc1C(Cc1ccccc1OC(F)(F)F)N1CCNCC1
Show InChI InChI=1S/C19H20F4N2O/c20-16-7-3-2-6-15(16)17(25-11-9-24-10-12-25)13-14-5-1-4-8-18(14)26-19(21,22)23/h1-8,17,24H,9-13H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 7.60E+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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50319828
PNG
((+)-1-(1-(2-fluorophenyl)-2-(2-(trifluoromethoxy)p...)
Show SMILES Fc1ccccc1C(Cc1ccccc1OC(F)(F)F)N1CCNCC1
Show InChI InChI=1S/C19H20F4N2O/c20-16-7-3-2-6-15(16)17(25-11-9-24-10-12-25)13-14-5-1-4-8-18(14)26-19(21,22)23/h1-8,17,24H,9-13H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 760n/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