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BDBM50244049 (1S,5S)-1-(5-fluorothiophen-2-yl)-3-aza-bicyclo[3.1.0]hexane::CHEMBL453328

SMILES: Fc1ccc(s1)[C@@]12C[C@@H]1CNC2

InChI Key: InChIKey=RVRPCMWCFJXWDX-HZGVNTEJSA-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 = 50244049   
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))
BDBM50244049
PNG
((1S,5S)-1-(5-fluorothiophen-2-yl)-3-aza-bicyclo[3....)
Show SMILES Fc1ccc(s1)[C@@]12C[C@@H]1CNC2 |r|
Show InChI InChI=1S/C9H10FNS/c10-8-2-1-7(12-8)9-3-6(9)4-11-5-9/h1-2,6,11H,3-5H2/t6-,9-/m1/s1
Reactome pathway

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 470n/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 dopamine transporter


(Rattus norvegicus (rat))
BDBM50244049
PNG
((1S,5S)-1-(5-fluorothiophen-2-yl)-3-aza-bicyclo[3....)
Show SMILES Fc1ccc(s1)[C@@]12C[C@@H]1CNC2 |r|
Show InChI InChI=1S/C9H10FNS/c10-8-2-1-7(12-8)9-3-6(9)4-11-5-9/h1-2,6,11H,3-5H2/t6-,9-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/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
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50244049
PNG
((1S,5S)-1-(5-fluorothiophen-2-yl)-3-aza-bicyclo[3....)
Show SMILES Fc1ccc(s1)[C@@]12C[C@@H]1CNC2 |r|
Show InChI InChI=1S/C9H10FNS/c10-8-2-1-7(12-8)9-3-6(9)4-11-5-9/h1-2,6,11H,3-5H2/t6-,9-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.10E+3n/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