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BDBM50247067 2beta-Carbo(2-fluoroethoxy)-3beta-(3'-((E)-2-iodoethenyl)phenyl)-nortropane::CHEMBL516825

SMILES: FCCOC(=O)C1C2CCC(CC1c1cccc(\C=C\I)c1)N2

InChI Key: InChIKey=MBCIBUXZJAIISR-SOFGYWHQSA-N

Data: 3 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 3 hits for monomerid = 50247067   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50247067
PNG
(2beta-Carbo(2-fluoroethoxy)-3beta-(3'-((E)-2-iodoe...)
Show SMILES FCCOC(=O)C1C2CCC(CC1c1cccc(\C=C\I)c1)N2
Show InChI InChI=1S/C18H21FINO2/c19-7-9-23-18(22)17-15(11-14-4-5-16(17)21-14)13-3-1-2-12(10-13)6-8-20/h1-3,6,8,10,14-17,21H,4-5,7,9,11H2/b8-6+
PDB

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PC cid
PC sid
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Similars

Article
PubMed
15.2n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Displacement of [3H](R,S)citalopram.HBr from human SERT transfected in human HEK293 cells


J Med Chem 51: 7788-99 (2008)


Article DOI: 10.1021/jm800781a
BindingDB Entry DOI: 10.7270/Q21C1WRQ
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50247067
PNG
(2beta-Carbo(2-fluoroethoxy)-3beta-(3'-((E)-2-iodoe...)
Show SMILES FCCOC(=O)C1C2CCC(CC1c1cccc(\C=C\I)c1)N2
Show InChI InChI=1S/C18H21FINO2/c19-7-9-23-18(22)17-15(11-14-4-5-16(17)21-14)13-3-1-2-12(10-13)6-8-20/h1-3,6,8,10,14-17,21H,4-5,7,9,11H2/b8-6+
NCI pathway
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PC cid
PC sid
UniChem

Similars

Article
PubMed
274n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Displacement of [3H]RTI-55 from human DAT transfected in human HEK293 cells


J Med Chem 51: 7788-99 (2008)


Article DOI: 10.1021/jm800781a
BindingDB Entry DOI: 10.7270/Q21C1WRQ
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50247067
PNG
(2beta-Carbo(2-fluoroethoxy)-3beta-(3'-((E)-2-iodoe...)
Show SMILES FCCOC(=O)C1C2CCC(CC1c1cccc(\C=C\I)c1)N2
Show InChI InChI=1S/C18H21FINO2/c19-7-9-23-18(22)17-15(11-14-4-5-16(17)21-14)13-3-1-2-12(10-13)6-8-20/h1-3,6,8,10,14-17,21H,4-5,7,9,11H2/b8-6+
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.18E+3n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human NET transfected in human HEK293 cells


J Med Chem 51: 7788-99 (2008)


Article DOI: 10.1021/jm800781a
BindingDB Entry DOI: 10.7270/Q21C1WRQ
More data for this
Ligand-Target Pair