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BDBM50166146 (3S,6S)-3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl-8-aza-bicyclo[3.2.1]octan-6-ol::CHEMBL425008

SMILES: CN1C2C[C@H](O)C1C[C@H](C2)OC(c1ccc(F)cc1)c1ccc(F)cc1

InChI Key: InChIKey=NRKFYDQWSIYFGJ-PCODVIEZSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50166146   
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 dopamine transporter


(Rattus norvegicus (rat))
BDBM50166146
PNG
((3S,6S)-3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl...)
Show SMILES CN1C2C[C@H](O)C1C[C@H](C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |THB:5:4:1:7.9.8,10:8:1:3.4|
Show InChI InChI=1S/C21H23F2NO2/c1-24-17-10-18(12-19(24)20(25)11-17)26-21(13-2-6-15(22)7-3-13)14-4-8-16(23)9-5-14/h2-9,17-21,25H,10-12H2,1H3/t17?,18-,19?,20-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 12n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from Dopamine transporter of rat caudate putamen


J Med Chem 48: 3337-43 (2005)


Article DOI: 10.1021/jm0490235
BindingDB Entry DOI: 10.7270/Q25T3M8M
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50166146
PNG
((3S,6S)-3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl...)
Show SMILES CN1C2C[C@H](O)C1C[C@H](C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |THB:5:4:1:7.9.8,10:8:1:3.4|
Show InChI InChI=1S/C21H23F2NO2/c1-24-17-10-18(12-19(24)20(25)11-17)26-21(13-2-6-15(22)7-3-13)14-4-8-16(23)9-5-14/h2-9,17-21,25H,10-12H2,1H3/t17?,18-,19?,20-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.10E+4n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from Serotonin transporter of rat caudate putamen


J Med Chem 48: 3337-43 (2005)


Article DOI: 10.1021/jm0490235
BindingDB Entry DOI: 10.7270/Q25T3M8M
More data for this
Ligand-Target Pair