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BDBM50188049 1-(2-(2-chlorophenyl)-1-phenylethyl)piperazine::CHEMBL213287::CHEMBL534942

SMILES: Clc1ccccc1CC(N1CCNCC1)c1ccccc1

InChI Key: InChIKey=SDLVJPBOBLQFEW-UHFFFAOYSA-N

Data: 22 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 22 hits for monomerid = 50188049   
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))
BDBM50188049
PNG
(1-(2-(2-chlorophenyl)-1-phenylethyl)piperazine | C...)
Show SMILES Clc1ccccc1CC(N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C18H21ClN2/c19-17-9-5-4-8-16(17)14-18(15-6-2-1-3-7-15)21-12-10-20-11-13-21/h1-9,18,20H,10-14H2
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n/an/a 13n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT reuptake at 5HT transporter in HEK293 cells


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50188049
PNG
(1-(2-(2-chlorophenyl)-1-phenylethyl)piperazine | C...)
Show SMILES Clc1ccccc1CC(N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C18H21ClN2/c19-17-9-5-4-8-16(17)14-18(15-6-2-1-3-7-15)21-12-10-20-11-13-21/h1-9,18,20H,10-14H2
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n/an/a 1.30E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of DA transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4345-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.051
BindingDB Entry DOI: 10.7270/Q2H99608
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50188049
PNG
(1-(2-(2-chlorophenyl)-1-phenylethyl)piperazine | C...)
Show SMILES Clc1ccccc1CC(N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C18H21ClN2/c19-17-9-5-4-8-16(17)14-18(15-6-2-1-3-7-15)21-12-10-20-11-13-21/h1-9,18,20H,10-14H2
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n/an/a 3.90n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT reuptake at 5HT transporter in HEK293 cells


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50188049
PNG
(1-(2-(2-chlorophenyl)-1-phenylethyl)piperazine | C...)
Show SMILES Clc1ccccc1CC(N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C18H21ClN2/c19-17-9-5-4-8-16(17)14-18(15-6-2-1-3-7-15)21-12-10-20-11-13-21/h1-9,18,20H,10-14H2
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n/an/a 1.30E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA reuptake at DA transporter in HEK293 cells


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50188049
PNG
(1-(2-(2-chlorophenyl)-1-phenylethyl)piperazine | C...)
Show SMILES Clc1ccccc1CC(N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C18H21ClN2/c19-17-9-5-4-8-16(17)14-18(15-6-2-1-3-7-15)21-12-10-20-11-13-21/h1-9,18,20H,10-14H2
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n/an/a 19n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]NA reuptake at NA transporter in HEK293 cells


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50188049
PNG
(1-(2-(2-chlorophenyl)-1-phenylethyl)piperazine | C...)
Show SMILES Clc1ccccc1CC(N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C18H21ClN2/c19-17-9-5-4-8-16(17)14-18(15-6-2-1-3-7-15)21-12-10-20-11-13-21/h1-9,18,20H,10-14H2
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n/an/a>3.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50188049
PNG
(1-(2-(2-chlorophenyl)-1-phenylethyl)piperazine | C...)
Show SMILES Clc1ccccc1CC(N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C18H21ClN2/c19-17-9-5-4-8-16(17)14-18(15-6-2-1-3-7-15)21-12-10-20-11-13-21/h1-9,18,20H,10-14H2
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n/an/a 1.40E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50188049
PNG
(1-(2-(2-chlorophenyl)-1-phenylethyl)piperazine | C...)
Show SMILES Clc1ccccc1CC(N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C18H21ClN2/c19-17-9-5-4-8-16(17)14-18(15-6-2-1-3-7-15)21-12-10-20-11-13-21/h1-9,18,20H,10-14H2
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n/an/a 2.60E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50188049
PNG
(1-(2-(2-chlorophenyl)-1-phenylethyl)piperazine | C...)
Show SMILES Clc1ccccc1CC(N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C18H21ClN2/c19-17-9-5-4-8-16(17)14-18(15-6-2-1-3-7-15)21-12-10-20-11-13-21/h1-9,18,20H,10-14H2
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n/an/a 1.60E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA reuptake at DA transporter in HEK293 cells


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50188049
PNG
(1-(2-(2-chlorophenyl)-1-phenylethyl)piperazine | C...)
Show SMILES Clc1ccccc1CC(N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C18H21ClN2/c19-17-9-5-4-8-16(17)14-18(15-6-2-1-3-7-15)21-12-10-20-11-13-21/h1-9,18,20H,10-14H2
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n/an/a 22n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]NA reuptake at NA transporter in HEK293 cells


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50188049
PNG
(1-(2-(2-chlorophenyl)-1-phenylethyl)piperazine | C...)
Show SMILES Clc1ccccc1CC(N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C18H21ClN2/c19-17-9-5-4-8-16(17)14-18(15-6-2-1-3-7-15)21-12-10-20-11-13-21/h1-9,18,20H,10-14H2
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n/an/a 2.30E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50188049
PNG
(1-(2-(2-chlorophenyl)-1-phenylethyl)piperazine | C...)
Show SMILES Clc1ccccc1CC(N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C18H21ClN2/c19-17-9-5-4-8-16(17)14-18(15-6-2-1-3-7-15)21-12-10-20-11-13-21/h1-9,18,20H,10-14H2
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n/an/a 2.90E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA reuptake at DA transporter in HEK293 cells


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50188049
PNG
(1-(2-(2-chlorophenyl)-1-phenylethyl)piperazine | C...)
Show SMILES Clc1ccccc1CC(N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C18H21ClN2/c19-17-9-5-4-8-16(17)14-18(15-6-2-1-3-7-15)21-12-10-20-11-13-21/h1-9,18,20H,10-14H2
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n/an/a 5.40n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT reuptake at 5HT transporter in HEK293 cells


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50188049
PNG
(1-(2-(2-chlorophenyl)-1-phenylethyl)piperazine | C...)
Show SMILES Clc1ccccc1CC(N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C18H21ClN2/c19-17-9-5-4-8-16(17)14-18(15-6-2-1-3-7-15)21-12-10-20-11-13-21/h1-9,18,20H,10-14H2
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n/an/a>3.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50188049
PNG
(1-(2-(2-chlorophenyl)-1-phenylethyl)piperazine | C...)
Show SMILES Clc1ccccc1CC(N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C18H21ClN2/c19-17-9-5-4-8-16(17)14-18(15-6-2-1-3-7-15)21-12-10-20-11-13-21/h1-9,18,20H,10-14H2
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n/an/a>3.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50188049
PNG
(1-(2-(2-chlorophenyl)-1-phenylethyl)piperazine | C...)
Show SMILES Clc1ccccc1CC(N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C18H21ClN2/c19-17-9-5-4-8-16(17)14-18(15-6-2-1-3-7-15)21-12-10-20-11-13-21/h1-9,18,20H,10-14H2
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n/an/a 2.30E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50188049
PNG
(1-(2-(2-chlorophenyl)-1-phenylethyl)piperazine | C...)
Show SMILES Clc1ccccc1CC(N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C18H21ClN2/c19-17-9-5-4-8-16(17)14-18(15-6-2-1-3-7-15)21-12-10-20-11-13-21/h1-9,18,20H,10-14H2
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n/an/a 600n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50188049
PNG
(1-(2-(2-chlorophenyl)-1-phenylethyl)piperazine | C...)
Show SMILES Clc1ccccc1CC(N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C18H21ClN2/c19-17-9-5-4-8-16(17)14-18(15-6-2-1-3-7-15)21-12-10-20-11-13-21/h1-9,18,20H,10-14H2
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n/an/a 500n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50188049
PNG
(1-(2-(2-chlorophenyl)-1-phenylethyl)piperazine | C...)
Show SMILES Clc1ccccc1CC(N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C18H21ClN2/c19-17-9-5-4-8-16(17)14-18(15-6-2-1-3-7-15)21-12-10-20-11-13-21/h1-9,18,20H,10-14H2
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n/an/a 1.40E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50188049
PNG
(1-(2-(2-chlorophenyl)-1-phenylethyl)piperazine | C...)
Show SMILES Clc1ccccc1CC(N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C18H21ClN2/c19-17-9-5-4-8-16(17)14-18(15-6-2-1-3-7-15)21-12-10-20-11-13-21/h1-9,18,20H,10-14H2
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n/an/a 22n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]NA uptake at NA transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4345-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.051
BindingDB Entry DOI: 10.7270/Q2H99608
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50188049
PNG
(1-(2-(2-chlorophenyl)-1-phenylethyl)piperazine | C...)
Show SMILES Clc1ccccc1CC(N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C18H21ClN2/c19-17-9-5-4-8-16(17)14-18(15-6-2-1-3-7-15)21-12-10-20-11-13-21/h1-9,18,20H,10-14H2
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n/an/a 5.40n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT uptake at 5HT transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4345-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.051
BindingDB Entry DOI: 10.7270/Q2H99608
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50188049
PNG
(1-(2-(2-chlorophenyl)-1-phenylethyl)piperazine | C...)
Show SMILES Clc1ccccc1CC(N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C18H21ClN2/c19-17-9-5-4-8-16(17)14-18(15-6-2-1-3-7-15)21-12-10-20-11-13-21/h1-9,18,20H,10-14H2
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n/an/a 50n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]NA reuptake at NA transporter in HEK293 cells


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair