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SMILES: Clc1cccc(Cl)c1CC(N1CCNCC1)c1ccccc1

InChI Key: InChIKey=QYPSCQLKEMPYGY-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50188114   
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))
BDBM50188114
PNG
(1-(2-(2,6-dichlorophenyl)-1-phenylethyl)piperazine...)
Show SMILES Clc1cccc(Cl)c1CC(N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C18H20Cl2N2/c19-16-7-4-8-17(20)15(16)13-18(14-5-2-1-3-6-14)22-11-9-21-10-12-22/h1-8,18,21H,9-13H2
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 12n/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))
BDBM50188114
PNG
(1-(2-(2,6-dichlorophenyl)-1-phenylethyl)piperazine...)
Show SMILES Clc1cccc(Cl)c1CC(N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C18H20Cl2N2/c19-16-7-4-8-17(20)15(16)13-18(14-5-2-1-3-6-14)22-11-9-21-10-12-22/h1-8,18,21H,9-13H2
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 970n/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))
BDBM50188114
PNG
(1-(2-(2,6-dichlorophenyl)-1-phenylethyl)piperazine...)
Show SMILES Clc1cccc(Cl)c1CC(N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C18H20Cl2N2/c19-16-7-4-8-17(20)15(16)13-18(14-5-2-1-3-6-14)22-11-9-21-10-12-22/h1-8,18,21H,9-13H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 82n/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