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SMILES: O[C@@H]1CCCC[C@H]1N1CCC(CC1)C(=O)c1ccc(F)cc1

InChI Key: InChIKey=DLVFFQFYLIFWPT-IAGOWNOFSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50378717   
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
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50378717
PNG
(CHEMBL1204031)
Show SMILES O[C@@H]1CCCC[C@H]1N1CCC(CC1)C(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C18H24FNO2/c19-15-7-5-13(6-8-15)18(22)14-9-11-20(12-10-14)16-3-1-2-4-17(16)21/h5-8,14,16-17,21H,1-4,9-12H2/t16-,17-/m1/s1
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61n/an/an/an/an/an/an/an/a



Institute of Radiopharmaceutical Cancer Research

Curated by ChEMBL


Assay Description
Displacement of (-)-[3H]pentazocine from sigma1 receptor in Sprague-Dawley rat cortical membranes incubated for 2 hrs by liquid scintillation countin...


Eur J Med Chem 100: 50-67 (2015)


Article DOI: 10.1016/j.ejmech.2015.05.033
BindingDB Entry DOI: 10.7270/Q28C9XZ1
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50378717
PNG
(CHEMBL1204031)
Show SMILES O[C@@H]1CCCC[C@H]1N1CCC(CC1)C(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C18H24FNO2/c19-15-7-5-13(6-8-15)18(22)14-9-11-20(12-10-14)16-3-1-2-4-17(16)21/h5-8,14,16-17,21H,1-4,9-12H2/t16-,17-/m1/s1
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303n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane homogenates after 90 mins by liquid scintillation counting


J Med Chem 53: 2825-35 (2010)


Article DOI: 10.1021/jm9017916
BindingDB Entry DOI: 10.7270/Q2542PJR
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Torpedo californica)
BDBM50378717
PNG
(CHEMBL1204031)
Show SMILES O[C@@H]1CCCC[C@H]1N1CCC(CC1)C(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C18H24FNO2/c19-15-7-5-13(6-8-15)18(22)14-9-11-20(12-10-14)16-3-1-2-4-17(16)21/h5-8,14,16-17,21H,1-4,9-12H2/t16-,17-/m1/s1
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423n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of [3H]vesamicol from VAChT in Torpedo californica cholinergic synaptic vesicles


J Med Chem 53: 2825-35 (2010)


Article DOI: 10.1021/jm9017916
BindingDB Entry DOI: 10.7270/Q2542PJR
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Torpedo californica)
BDBM50378717
PNG
(CHEMBL1204031)
Show SMILES O[C@@H]1CCCC[C@H]1N1CCC(CC1)C(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C18H24FNO2/c19-15-7-5-13(6-8-15)18(22)14-9-11-20(12-10-14)16-3-1-2-4-17(16)21/h5-8,14,16-17,21H,1-4,9-12H2/t16-,17-/m1/s1
UniProtKB/SwissProt

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423n/an/an/an/an/an/an/an/a



Institute of Radiopharmaceutical Cancer Research

Curated by ChEMBL


Assay Description
Displacement of (-)-[3H]vesamicol from VAChT in Torpedo californica electric organ synaptic vesicles


Eur J Med Chem 100: 50-67 (2015)


Article DOI: 10.1016/j.ejmech.2015.05.033
BindingDB Entry DOI: 10.7270/Q28C9XZ1
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Rattus norvegicus)
BDBM50378717
PNG
(CHEMBL1204031)
Show SMILES O[C@@H]1CCCC[C@H]1N1CCC(CC1)C(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C18H24FNO2/c19-15-7-5-13(6-8-15)18(22)14-9-11-20(12-10-14)16-3-1-2-4-17(16)21/h5-8,14,16-17,21H,1-4,9-12H2/t16-,17-/m1/s1
KEGG

UniProtKB/SwissProt

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3.24E+3n/an/an/an/an/an/an/an/a



Institute of Radiopharmaceutical Cancer Research

Curated by ChEMBL


Assay Description
Displacement of (-)-[3H]vesamicol from rat VAChT expressed in PC12 cell membranes incubated for 2 hrs by liquid scintillation counting based competit...


Eur J Med Chem 100: 50-67 (2015)


Article DOI: 10.1016/j.ejmech.2015.05.033
BindingDB Entry DOI: 10.7270/Q28C9XZ1
More data for this
Ligand-Target Pair