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BDBM50126817 4-((4-(2-(bis(4-fluorophenyl)methoxy)ethyl)piperidin-1-yl)methyl)benzonitrile::4-(4-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-piperidin-1-ylmethyl)-benzonitrile::CHEMBL36141

SMILES: Fc1ccc(cc1)C(OCCC1CCN(Cc2ccc(cc2)C#N)CC1)c1ccc(F)cc1

InChI Key: InChIKey=BPPCESTVOKDZOZ-UHFFFAOYSA-N

Data: 4 KI

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 = 50126817   
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
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM50126817
PNG
(4-((4-(2-(bis(4-fluorophenyl)methoxy)ethyl)piperid...)
Show SMILES Fc1ccc(cc1)C(OCCC1CCN(Cc2ccc(cc2)C#N)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C28H28F2N2O/c29-26-9-5-24(6-10-26)28(25-7-11-27(30)12-8-25)33-18-15-21-13-16-32(17-14-21)20-23-3-1-22(19-31)2-4-23/h1-12,21,28H,13-18,20H2
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.20n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Affinity at rat dopamine transporter using [125I]-RTI-55 displacement.


J Med Chem 46: 1465-9 (2003)


Article DOI: 10.1021/jm020419v
BindingDB Entry DOI: 10.7270/Q2WQ035D
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM50126817
PNG
(4-((4-(2-(bis(4-fluorophenyl)methoxy)ethyl)piperid...)
Show SMILES Fc1ccc(cc1)C(OCCC1CCN(Cc2ccc(cc2)C#N)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C28H28F2N2O/c29-26-9-5-24(6-10-26)28(25-7-11-27(30)12-8-25)33-18-15-21-13-16-32(17-14-21)20-23-3-1-22(19-31)2-4-23/h1-12,21,28H,13-18,20H2
Reactome pathway
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.20n/an/an/an/an/an/an/an/a



University Heights

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from DAT in rat brain synaptosomes


Bioorg Med Chem 15: 1146-59 (2006)


Article DOI: 10.1016/j.bmc.2006.09.070
BindingDB Entry DOI: 10.7270/Q2M61JXC
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50126817
PNG
(4-((4-(2-(bis(4-fluorophenyl)methoxy)ethyl)piperid...)
Show SMILES Fc1ccc(cc1)C(OCCC1CCN(Cc2ccc(cc2)C#N)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C28H28F2N2O/c29-26-9-5-24(6-10-26)28(25-7-11-27(30)12-8-25)33-18-15-21-13-16-32(17-14-21)20-23-3-1-22(19-31)2-4-23/h1-12,21,28H,13-18,20H2
PDB

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PC sid
UniChem
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606n/an/an/an/an/an/an/an/a



University Heights

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from SERT in rat brain synaptosomes


Bioorg Med Chem 15: 1146-59 (2006)


Article DOI: 10.1016/j.bmc.2006.09.070
BindingDB Entry DOI: 10.7270/Q2M61JXC
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50126817
PNG
(4-((4-(2-(bis(4-fluorophenyl)methoxy)ethyl)piperid...)
Show SMILES Fc1ccc(cc1)C(OCCC1CCN(Cc2ccc(cc2)C#N)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C28H28F2N2O/c29-26-9-5-24(6-10-26)28(25-7-11-27(30)12-8-25)33-18-15-21-13-16-32(17-14-21)20-23-3-1-22(19-31)2-4-23/h1-12,21,28H,13-18,20H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
606n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Affinity at rat serotonin transporter using [125I]-RTI-55 displacement.


J Med Chem 46: 1465-9 (2003)


Article DOI: 10.1021/jm020419v
BindingDB Entry DOI: 10.7270/Q2WQ035D
More data for this
Ligand-Target Pair