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Found 6 hits Enz. Inhib. hit(s) with Target = 'Sigma non-opioid intracellular receptor 1' and Ligand = 'BDBM50002218'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sigma non-opioid intracellular receptor 1


(Mus musculus (Mouse))
BDBM50002218
PNG
(2-(1-Cyclopropylmethyl-piperidin-4-yl)-1-(4-fluoro...)
Show SMILES Fc1ccc(cc1)C(=O)CC1CCN(CC2CC2)CC1
Show InChI InChI=1S/C17H22FNO/c18-16-5-3-15(4-6-16)17(20)11-13-7-9-19(10-8-13)12-14-1-2-14/h3-6,13-14H,1-2,7-12H2
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MCE
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10n/an/an/an/an/an/an/an/a



Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
In vitro binding affinity for the mouse sigma opioid receptor


J Med Chem 35: 4344-61 (1992)


BindingDB Entry DOI: 10.7270/Q28P614G
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50002218
PNG
(2-(1-Cyclopropylmethyl-piperidin-4-yl)-1-(4-fluoro...)
Show SMILES Fc1ccc(cc1)C(=O)CC1CCN(CC2CC2)CC1
Show InChI InChI=1S/C17H22FNO/c18-16-5-3-15(4-6-16)17(20)11-13-7-9-19(10-8-13)12-14-1-2-14/h3-6,13-14H,1-2,7-12H2
PDB

UniProtKB/SwissProt

antibodypedia
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MCE
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10n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Binding affinity for sigma receptor of guinea pig whole brain using [3H]-SKF- 100047 radioligand


J Med Chem 37: 364-70 (1994)


BindingDB Entry DOI: 10.7270/Q2WD416F
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50002218
PNG
(2-(1-Cyclopropylmethyl-piperidin-4-yl)-1-(4-fluoro...)
Show SMILES Fc1ccc(cc1)C(=O)CC1CCN(CC2CC2)CC1
Show InChI InChI=1S/C17H22FNO/c18-16-5-3-15(4-6-16)17(20)11-13-7-9-19(10-8-13)12-14-1-2-14/h3-6,13-14H,1-2,7-12H2
PDB

UniProtKB/SwissProt

antibodypedia
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MCE
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PubMed
10n/an/an/an/an/an/an/an/a



New York University

Curated by ChEMBL


Assay Description
Binding affinity against sigma receptor in bovine cerebellum using 2.0 nM [3H]- haloperidol


J Med Chem 36: 3923-8 (1994)


BindingDB Entry DOI: 10.7270/Q2H13122
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50002218
PNG
(2-(1-Cyclopropylmethyl-piperidin-4-yl)-1-(4-fluoro...)
Show SMILES Fc1ccc(cc1)C(=O)CC1CCN(CC2CC2)CC1
Show InChI InChI=1S/C17H22FNO/c18-16-5-3-15(4-6-16)17(20)11-13-7-9-19(10-8-13)12-14-1-2-14/h3-6,13-14H,1-2,7-12H2
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UniProtKB/SwissProt

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CHEMBL
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PubMed
n/an/a 2.60n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity towards sigma receptor binding site 1 using [3H](+)-pentazocine


J Med Chem 38: 1998-2008 (1995)


BindingDB Entry DOI: 10.7270/Q2SJ1M8P
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50002218
PNG
(2-(1-Cyclopropylmethyl-piperidin-4-yl)-1-(4-fluoro...)
Show SMILES Fc1ccc(cc1)C(=O)CC1CCN(CC2CC2)CC1
Show InChI InChI=1S/C17H22FNO/c18-16-5-3-15(4-6-16)17(20)11-13-7-9-19(10-8-13)12-14-1-2-14/h3-6,13-14H,1-2,7-12H2
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n/an/a 2.60n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity towards Sigma receptor type 1 using radioligand ([3H]-(+)- Pentazocine) binding assay.


J Med Chem 38: 2009-17 (1995)


BindingDB Entry DOI: 10.7270/Q2NS0VKD
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50002218
PNG
(2-(1-Cyclopropylmethyl-piperidin-4-yl)-1-(4-fluoro...)
Show SMILES Fc1ccc(cc1)C(=O)CC1CCN(CC2CC2)CC1
Show InChI InChI=1S/C17H22FNO/c18-16-5-3-15(4-6-16)17(20)11-13-7-9-19(10-8-13)12-14-1-2-14/h3-6,13-14H,1-2,7-12H2
PDB

UniProtKB/SwissProt

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CHEMBL
MCE
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PubMed
n/an/a 23n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity towards Sigma receptor site 2 in rat brain using [3H]DTG as radioligand


J Med Chem 38: 2009-17 (1995)


BindingDB Entry DOI: 10.7270/Q2NS0VKD
More data for this
Ligand-Target Pair