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BDBM50319827 1-(2-(2-(difluoromethoxy)phenyl)-1-(4-fluorophenyl)ethyl)piperazine::CHEMBL1083425

SMILES: FC(F)Oc1ccccc1CC(N1CCNCC1)c1ccc(F)cc1

InChI Key: InChIKey=IAMMWWXBTYJBCX-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 = 50319827   
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))
BDBM50319827
PNG
(1-(2-(2-(difluoromethoxy)phenyl)-1-(4-fluorophenyl...)
Show SMILES FC(F)Oc1ccccc1CC(N1CCNCC1)c1ccc(F)cc1
Show InChI InChI=1S/C19H21F3N2O/c20-16-7-5-14(6-8-16)17(24-11-9-23-10-12-24)13-15-3-1-2-4-18(15)25-19(21)22/h1-8,17,19,23H,9-13H2
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
9n/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))
BDBM50319827
PNG
(1-(2-(2-(difluoromethoxy)phenyl)-1-(4-fluorophenyl...)
Show SMILES FC(F)Oc1ccccc1CC(N1CCNCC1)c1ccc(F)cc1
Show InChI InChI=1S/C19H21F3N2O/c20-16-7-5-14(6-8-16)17(24-11-9-23-10-12-24)13-15-3-1-2-4-18(15)25-19(21)22/h1-8,17,19,23H,9-13H2
Reactome pathway
KEGG

UniProtKB/SwissProt

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antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
40n/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))
BDBM50319827
PNG
(1-(2-(2-(difluoromethoxy)phenyl)-1-(4-fluorophenyl...)
Show SMILES FC(F)Oc1ccccc1CC(N1CCNCC1)c1ccc(F)cc1
Show InChI InChI=1S/C19H21F3N2O/c20-16-7-5-14(6-8-16)17(24-11-9-23-10-12-24)13-15-3-1-2-4-18(15)25-19(21)22/h1-8,17,19,23H,9-13H2
NCI pathway
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KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.76E+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))
BDBM50319827
PNG
(1-(2-(2-(difluoromethoxy)phenyl)-1-(4-fluorophenyl...)
Show SMILES FC(F)Oc1ccccc1CC(N1CCNCC1)c1ccc(F)cc1
Show InChI InChI=1S/C19H21F3N2O/c20-16-7-5-14(6-8-16)17(24-11-9-23-10-12-24)13-15-3-1-2-4-18(15)25-19(21)22/h1-8,17,19,23H,9-13H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.12E+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