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BDBM50188059 1-(1,2-diphenylethyl)piperazine::CHEMBL214237

SMILES: C(C(N1CCNCC1)c1ccccc1)c1ccccc1

InChI Key: InChIKey=NIBIYLDNVMUKNB-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50188059   
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 dopamine transporter


(Homo sapiens (Human))
BDBM50188059
PNG
(1-(1,2-diphenylethyl)piperazine | CHEMBL214237)
Show SMILES C(C(N1CCNCC1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C18H22N2/c1-3-7-16(8-4-1)15-18(17-9-5-2-6-10-17)20-13-11-19-12-14-20/h1-10,18-19H,11-15H2
NCI pathway
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Article
PubMed
n/an/a>4.00E+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))
BDBM50188059
PNG
(1-(1,2-diphenylethyl)piperazine | CHEMBL214237)
Show SMILES C(C(N1CCNCC1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C18H22N2/c1-3-7-16(8-4-1)15-18(17-9-5-2-6-10-17)20-13-11-19-12-14-20/h1-10,18-19H,11-15H2
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 14n/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))
BDBM50188059
PNG
(1-(1,2-diphenylethyl)piperazine | CHEMBL214237)
Show SMILES C(C(N1CCNCC1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C18H22N2/c1-3-7-16(8-4-1)15-18(17-9-5-2-6-10-17)20-13-11-19-12-14-20/h1-10,18-19H,11-15H2
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 39n/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