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BDBM50333970 CHEMBL1644603::exo-(1R,5S)-3-(5-fluorobiphenyl-3-yloxy)-8-azabicyclo[3.2.1]octane

SMILES: Fc1cc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)cc(c1)-c1ccccc1

InChI Key: InChIKey=NPRIIPJXYKFSOJ-IZZQQSIFSA-N

Data: 3 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 3 hits for monomerid = 50333970   
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 noradrenaline transporter


(Homo sapiens (Human))
BDBM50333970
PNG
(CHEMBL1644603 | exo-(1R,5S)-3-(5-fluorobiphenyl-3-...)
Show SMILES Fc1cc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)cc(c1)-c1ccccc1 |r|
Show InChI InChI=1S/C19H20FNO/c20-15-8-14(13-4-2-1-3-5-13)9-18(10-15)22-19-11-16-6-7-17(12-19)21-16/h1-5,8-10,16-17,19,21H,6-7,11-12H2/t16-,17+,19-
Reactome pathway
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PC cid
PC sid
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PubMed
n/an/a 85n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of [3H]noradrenalin reuptake at NET expressed in MDCK cells scintillation counting


Bioorg Med Chem Lett 21: 271-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.021
BindingDB Entry DOI: 10.7270/Q2CZ37D3
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50333970
PNG
(CHEMBL1644603 | exo-(1R,5S)-3-(5-fluorobiphenyl-3-...)
Show SMILES Fc1cc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)cc(c1)-c1ccccc1 |r|
Show InChI InChI=1S/C19H20FNO/c20-15-8-14(13-4-2-1-3-5-13)9-18(10-15)22-19-11-16-6-7-17(12-19)21-16/h1-5,8-10,16-17,19,21H,6-7,11-12H2/t16-,17+,19-
NCI pathway
Reactome pathway
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Article
PubMed
n/an/a 8.71E+3n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine reuptake at DAT expressed in HEK293 cells scintillation counting


Bioorg Med Chem Lett 21: 271-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.021
BindingDB Entry DOI: 10.7270/Q2CZ37D3
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50333970
PNG
(CHEMBL1644603 | exo-(1R,5S)-3-(5-fluorobiphenyl-3-...)
Show SMILES Fc1cc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)cc(c1)-c1ccccc1 |r|
Show InChI InChI=1S/C19H20FNO/c20-15-8-14(13-4-2-1-3-5-13)9-18(10-15)22-19-11-16-6-7-17(12-19)21-16/h1-5,8-10,16-17,19,21H,6-7,11-12H2/t16-,17+,19-
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 905n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of [3H]serotonin reuptake at SERT expressed in HEK293 cells scintillation counting


Bioorg Med Chem Lett 21: 271-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.021
BindingDB Entry DOI: 10.7270/Q2CZ37D3
More data for this
Ligand-Target Pair