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BDBM50243896 (1S,5R)-1-(3,4-dichlorophenyl)-3-aza-bicyclo[3.1.0]hexane::(1S,5R)-1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexane::CHEMBL488638

SMILES: Clc1ccc(cc1Cl)[C@]12C[C@H]1CNC2

InChI Key: InChIKey=BSMNRYCSBFHEMQ-GZMMTYOYSA-N

Data: 6 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 6 hits for monomerid = 50243896   
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
Transporter


(Rattus norvegicus (rat))
BDBM50243896
PNG
((1S,5R)-1-(3,4-dichlorophenyl)-3-aza-bicyclo[3.1.0...)
Show SMILES Clc1ccc(cc1Cl)[C@]12C[C@H]1CNC2 |r|
Show InChI InChI=1S/C11H11Cl2N/c12-9-2-1-7(3-10(9)13)11-4-8(11)5-14-6-11/h1-3,8,14H,4-6H2/t8-,11+/m0/s1
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n/an/a 430n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at NET in rat brain synaptosome


Bioorg Med Chem Lett 18: 3682-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.077
BindingDB Entry DOI: 10.7270/Q26974G5
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50243896
PNG
((1S,5R)-1-(3,4-dichlorophenyl)-3-aza-bicyclo[3.1.0...)
Show SMILES Clc1ccc(cc1Cl)[C@]12C[C@H]1CNC2 |r|
Show InChI InChI=1S/C11H11Cl2N/c12-9-2-1-7(3-10(9)13)11-4-8(11)5-14-6-11/h1-3,8,14H,4-6H2/t8-,11+/m0/s1
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PubMed
n/an/a 66n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at SERT in rat brain synaptosome


Bioorg Med Chem Lett 18: 3682-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.077
BindingDB Entry DOI: 10.7270/Q26974G5
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50243896
PNG
((1S,5R)-1-(3,4-dichlorophenyl)-3-aza-bicyclo[3.1.0...)
Show SMILES Clc1ccc(cc1Cl)[C@]12C[C@H]1CNC2 |r|
Show InChI InChI=1S/C11H11Cl2N/c12-9-2-1-7(3-10(9)13)11-4-8(11)5-14-6-11/h1-3,8,14H,4-6H2/t8-,11+/m0/s1
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n/an/a 129n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of dopamine uptake at human cloned DAT


Bioorg Med Chem Lett 18: 3682-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.077
BindingDB Entry DOI: 10.7270/Q26974G5
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50243896
PNG
((1S,5R)-1-(3,4-dichlorophenyl)-3-aza-bicyclo[3.1.0...)
Show SMILES Clc1ccc(cc1Cl)[C@]12C[C@H]1CNC2 |r|
Show InChI InChI=1S/C11H11Cl2N/c12-9-2-1-7(3-10(9)13)11-4-8(11)5-14-6-11/h1-3,8,14H,4-6H2/t8-,11+/m0/s1
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Article
PubMed
n/an/a 103n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human cloned NET


Bioorg Med Chem Lett 18: 3682-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.077
BindingDB Entry DOI: 10.7270/Q26974G5
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50243896
PNG
((1S,5R)-1-(3,4-dichlorophenyl)-3-aza-bicyclo[3.1.0...)
Show SMILES Clc1ccc(cc1Cl)[C@]12C[C@H]1CNC2 |r|
Show InChI InChI=1S/C11H11Cl2N/c12-9-2-1-7(3-10(9)13)11-4-8(11)5-14-6-11/h1-3,8,14H,4-6H2/t8-,11+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
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CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 133n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at human cloned SERT


Bioorg Med Chem Lett 18: 3682-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.077
BindingDB Entry DOI: 10.7270/Q26974G5
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50243896
PNG
((1S,5R)-1-(3,4-dichlorophenyl)-3-aza-bicyclo[3.1.0...)
Show SMILES Clc1ccc(cc1Cl)[C@]12C[C@H]1CNC2 |r|
Show InChI InChI=1S/C11H11Cl2N/c12-9-2-1-7(3-10(9)13)11-4-8(11)5-14-6-11/h1-3,8,14H,4-6H2/t8-,11+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 330n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of dopamine uptake at cloned DAT in rat brain synaptosome


Bioorg Med Chem Lett 18: 3682-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.077
BindingDB Entry DOI: 10.7270/Q26974G5
More data for this
Ligand-Target Pair