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BDBM50333958 CHEMBL1644475::exo-(1R,5S)-3-(2-chlorophenoxy)-8-azabicyclo[3.2.1]octane

SMILES: Clc1ccccc1O[C@H]1C[C@@H]2CC[C@H](C1)N2

InChI Key: InChIKey=MJWXDPDEDHUUJV-JGPRNRPPSA-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 = 50333958   
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))
BDBM50333958
PNG
(CHEMBL1644475 | exo-(1R,5S)-3-(2-chlorophenoxy)-8-...)
Show SMILES Clc1ccccc1O[C@H]1C[C@@H]2CC[C@H](C1)N2 |r|
Show InChI InChI=1S/C13H16ClNO/c14-12-3-1-2-4-13(12)16-11-7-9-5-6-10(8-11)15-9/h1-4,9-11,15H,5-8H2/t9-,10+,11-
Reactome pathway
KEGG

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PC cid
PC sid
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Article
PubMed
n/an/a 188n/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))
BDBM50333958
PNG
(CHEMBL1644475 | exo-(1R,5S)-3-(2-chlorophenoxy)-8-...)
Show SMILES Clc1ccccc1O[C@H]1C[C@@H]2CC[C@H](C1)N2 |r|
Show InChI InChI=1S/C13H16ClNO/c14-12-3-1-2-4-13(12)16-11-7-9-5-6-10(8-11)15-9/h1-4,9-11,15H,5-8H2/t9-,10+,11-
NCI pathway
Reactome pathway
KEGG

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CHEMBL
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PC sid
UniChem

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Similars

Article
PubMed
n/an/a 1.32E+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))
BDBM50333958
PNG
(CHEMBL1644475 | exo-(1R,5S)-3-(2-chlorophenoxy)-8-...)
Show SMILES Clc1ccccc1O[C@H]1C[C@@H]2CC[C@H](C1)N2 |r|
Show InChI InChI=1S/C13H16ClNO/c14-12-3-1-2-4-13(12)16-11-7-9-5-6-10(8-11)15-9/h1-4,9-11,15H,5-8H2/t9-,10+,11-
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 881n/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