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BDBM50319829 1-(1-(3-fluorophenyl)-2-(2-(trifluoromethoxy)phenyl)ethyl)piperazine::CHEMBL1083427

SMILES: Fc1cccc(c1)C(Cc1ccccc1OC(F)(F)F)N1CCNCC1

InChI Key: InChIKey=LRKGVRWKYSKWQW-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 = 50319829   
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))
BDBM50319829
PNG
(1-(1-(3-fluorophenyl)-2-(2-(trifluoromethoxy)pheny...)
Show SMILES Fc1cccc(c1)C(Cc1ccccc1OC(F)(F)F)N1CCNCC1
Show InChI InChI=1S/C19H20F4N2O/c20-16-6-3-5-14(12-16)17(25-10-8-24-9-11-25)13-15-4-1-2-7-18(15)26-19(21,22)23/h1-7,12,17,24H,8-11,13H2
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PC cid
PC sid
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Article
PubMed
16n/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))
BDBM50319829
PNG
(1-(1-(3-fluorophenyl)-2-(2-(trifluoromethoxy)pheny...)
Show SMILES Fc1cccc(c1)C(Cc1ccccc1OC(F)(F)F)N1CCNCC1
Show InChI InChI=1S/C19H20F4N2O/c20-16-6-3-5-14(12-16)17(25-10-8-24-9-11-25)13-15-4-1-2-7-18(15)26-19(21,22)23/h1-7,12,17,24H,8-11,13H2
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PC sid
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Article
PubMed
30n/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))
BDBM50319829
PNG
(1-(1-(3-fluorophenyl)-2-(2-(trifluoromethoxy)pheny...)
Show SMILES Fc1cccc(c1)C(Cc1ccccc1OC(F)(F)F)N1CCNCC1
Show InChI InChI=1S/C19H20F4N2O/c20-16-6-3-5-14(12-16)17(25-10-8-24-9-11-25)13-15-4-1-2-7-18(15)26-19(21,22)23/h1-7,12,17,24H,8-11,13H2
NCI pathway
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PubMed
4.90E+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))
BDBM50319829
PNG
(1-(1-(3-fluorophenyl)-2-(2-(trifluoromethoxy)pheny...)
Show SMILES Fc1cccc(c1)C(Cc1ccccc1OC(F)(F)F)N1CCNCC1
Show InChI InChI=1S/C19H20F4N2O/c20-16-6-3-5-14(12-16)17(25-10-8-24-9-11-25)13-15-4-1-2-7-18(15)26-19(21,22)23/h1-7,12,17,24H,8-11,13H2
PDB
MMDB

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PubMed
n/an/a 6.11E+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