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BDBM50188060 1-(1-phenyl-2-(2-(trifluoromethyl)phenyl)ethyl)piperazine::CHEMBL210027

SMILES: FC(F)(F)c1ccccc1CC(N1CCNCC1)c1ccccc1

InChI Key: InChIKey=MQGLAASXHMCXDS-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 = 50188060   
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))
BDBM50188060
PNG
(1-(1-phenyl-2-(2-(trifluoromethyl)phenyl)ethyl)pip...)
Show SMILES FC(F)(F)c1ccccc1CC(N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C19H21F3N2/c20-19(21,22)17-9-5-4-8-16(17)14-18(15-6-2-1-3-7-15)24-12-10-23-11-13-24/h1-9,18,23H,10-14H2
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 10n/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))
BDBM50188060
PNG
(1-(1-phenyl-2-(2-(trifluoromethyl)phenyl)ethyl)pip...)
Show SMILES FC(F)(F)c1ccccc1CC(N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C19H21F3N2/c20-19(21,22)17-9-5-4-8-16(17)14-18(15-6-2-1-3-7-15)24-12-10-23-11-13-24/h1-9,18,23H,10-14H2
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 31n/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 dopamine transporter


(Homo sapiens (Human))
BDBM50188060
PNG
(1-(1-phenyl-2-(2-(trifluoromethyl)phenyl)ethyl)pip...)
Show SMILES FC(F)(F)c1ccccc1CC(N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C19H21F3N2/c20-19(21,22)17-9-5-4-8-16(17)14-18(15-6-2-1-3-7-15)24-12-10-23-11-13-24/h1-9,18,23H,10-14H2
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
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