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BDBM50319834 1-(2-(2-isopropoxyphenyl)-1-phenylethyl)piperazine::CHEMBL1083405

SMILES: CC(C)Oc1ccccc1CC(N1CCNCC1)c1ccccc1

InChI Key: InChIKey=HSRUEFWMMBYMIL-UHFFFAOYSA-N

Data: 3 KI  1 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 4 hits for monomerid = 50319834   
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))
BDBM50319834
PNG
(1-(2-(2-isopropoxyphenyl)-1-phenylethyl)piperazine...)
Show SMILES CC(C)Oc1ccccc1CC(N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C21H28N2O/c1-17(2)24-21-11-7-6-10-19(21)16-20(18-8-4-3-5-9-18)23-14-12-22-13-15-23/h3-11,17,20,22H,12-16H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

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antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
18n/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))
BDBM50319834
PNG
(1-(2-(2-isopropoxyphenyl)-1-phenylethyl)piperazine...)
Show SMILES CC(C)Oc1ccccc1CC(N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C21H28N2O/c1-17(2)24-21-11-7-6-10-19(21)16-20(18-8-4-3-5-9-18)23-14-12-22-13-15-23/h3-11,17,20,22H,12-16H2,1-2H3
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KEGG

UniProtKB/SwissProt

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
22n/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))
BDBM50319834
PNG
(1-(2-(2-isopropoxyphenyl)-1-phenylethyl)piperazine...)
Show SMILES CC(C)Oc1ccccc1CC(N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C21H28N2O/c1-17(2)24-21-11-7-6-10-19(21)16-20(18-8-4-3-5-9-18)23-14-12-22-13-15-23/h3-11,17,20,22H,12-16H2,1-2H3
NCI pathway
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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50319834
PNG
(1-(2-(2-isopropoxyphenyl)-1-phenylethyl)piperazine...)
Show SMILES CC(C)Oc1ccccc1CC(N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C21H28N2O/c1-17(2)24-21-11-7-6-10-19(21)16-20(18-8-4-3-5-9-18)23-14-12-22-13-15-23/h3-11,17,20,22H,12-16H2,1-2H3
PDB
MMDB

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KEGG

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.37E+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