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BDBM50097917 (3R,6R)-3-[Bis-(4-fluoro-phenyl)-methoxy]-6-methoxy-8-methyl-8-aza-bicyclo[3.2.1]octane::CHEMBL424565

SMILES: CO[C@@H]1CC2C[C@H](CC1N2C)OC(c1ccc(F)cc1)c1ccc(F)cc1

InChI Key: InChIKey=DRRFJWRBSWXNFW-GOLJUSPKSA-N

Data: 2 IC50

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   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50097917   
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


(Rattus norvegicus (rat))
BDBM50097917
PNG
((3R,6R)-3-[Bis-(4-fluoro-phenyl)-methoxy]-6-methox...)
Show SMILES CO[C@@H]1CC2C[C@H](CC1N2C)OC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:11:6:9:3.2,THB:10:9:3.2:7.5.6,1:2:9:7.5.6|
Show InChI InChI=1S/C22H25F2NO2/c1-25-18-11-19(13-20(25)21(12-18)26-2)27-22(14-3-7-16(23)8-4-14)15-5-9-17(24)10-6-15/h3-10,18-22H,11-13H2,1-2H3/t18?,19-,20?,21-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]paroxetine to Serotonin transporter in rat caudate putamen


Bioorg Med Chem Lett 11: 823-7 (2001)


BindingDB Entry DOI: 10.7270/Q2PN965H
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50097917
PNG
((3R,6R)-3-[Bis-(4-fluoro-phenyl)-methoxy]-6-methox...)
Show SMILES CO[C@@H]1CC2C[C@H](CC1N2C)OC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:11:6:9:3.2,THB:10:9:3.2:7.5.6,1:2:9:7.5.6|
Show InChI InChI=1S/C22H25F2NO2/c1-25-18-11-19(13-20(25)21(12-18)26-2)27-22(14-3-7-16(23)8-4-14)15-5-9-17(24)10-6-15/h3-10,18-22H,11-13H2,1-2H3/t18?,19-,20?,21-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 25n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]WIN-35428 to dopamine transporter in rat caudate putamen


Bioorg Med Chem Lett 11: 823-7 (2001)


BindingDB Entry DOI: 10.7270/Q2PN965H
More data for this
Ligand-Target Pair