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Found 18 hits Enz. Inhib. hit(s) with Target = 'Sigma non-opioid intracellular receptor 1' and Ligand = 'BDBM50019742'   
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


(RAT)
BDBM50019742
PNG
(9-(3-((3S,5R)-3,5-dimethylpiperazin-1-yl)propyl)-9...)
Show SMILES C[C@H]1CN(CCCn2c3ccccc3c3ccccc23)C[C@@H](C)N1 |r|
Show InChI InChI=1S/C21H27N3/c1-16-14-23(15-17(2)22-16)12-7-13-24-20-10-5-3-8-18(20)19-9-4-6-11-21(19)24/h3-6,8-11,16-17,22H,7,12-15H2,1-2H3/t16-,17+
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302n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity of Sigma opioid receptor type 2 in rat liver membranes using [3H]DTG ligand


J Med Chem 42: 4446-55 (1999)


BindingDB Entry DOI: 10.7270/Q2NS0VMV
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50019742
PNG
(9-(3-((3S,5R)-3,5-dimethylpiperazin-1-yl)propyl)-9...)
Show SMILES C[C@H]1CN(CCCn2c3ccccc3c3ccccc23)C[C@@H](C)N1 |r|
Show InChI InChI=1S/C21H27N3/c1-16-14-23(15-17(2)22-16)12-7-13-24-20-10-5-3-8-18(20)19-9-4-6-11-21(19)24/h3-6,8-11,16-17,22H,7,12-15H2,1-2H3/t16-,17+
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680n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against the sigma receptor from guinea pig brain using the radioligand [3H]SKF-10047


Bioorg Med Chem Lett 2: 165-170 (1992)


Article DOI: 10.1016/S0960-894X(01)80443-1
BindingDB Entry DOI: 10.7270/Q28P610P
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50019742
PNG
(9-(3-((3S,5R)-3,5-dimethylpiperazin-1-yl)propyl)-9...)
Show SMILES C[C@H]1CN(CCCn2c3ccccc3c3ccccc23)C[C@@H](C)N1 |r|
Show InChI InChI=1S/C21H27N3/c1-16-14-23(15-17(2)22-16)12-7-13-24-20-10-5-3-8-18(20)19-9-4-6-11-21(19)24/h3-6,8-11,16-17,22H,7,12-15H2,1-2H3/t16-,17+
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820n/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


(Mus musculus (Mouse))
BDBM50019742
PNG
(9-(3-((3S,5R)-3,5-dimethylpiperazin-1-yl)propyl)-9...)
Show SMILES C[C@H]1CN(CCCn2c3ccccc3c3ccccc23)C[C@@H](C)N1 |r|
Show InChI InChI=1S/C21H27N3/c1-16-14-23(15-17(2)22-16)12-7-13-24-20-10-5-3-8-18(20)19-9-4-6-11-21(19)24/h3-6,8-11,16-17,22H,7,12-15H2,1-2H3/t16-,17+
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820n/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


(Cavia porcellus (Guinea pig))
BDBM50019742
PNG
(9-(3-((3S,5R)-3,5-dimethylpiperazin-1-yl)propyl)-9...)
Show SMILES C[C@H]1CN(CCCn2c3ccccc3c3ccccc23)C[C@@H](C)N1 |r|
Show InChI InChI=1S/C21H27N3/c1-16-14-23(15-17(2)22-16)12-7-13-24-20-10-5-3-8-18(20)19-9-4-6-11-21(19)24/h3-6,8-11,16-17,22H,7,12-15H2,1-2H3/t16-,17+
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893n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane


Bioorg Med Chem Lett 18: 5238-41 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.065
BindingDB Entry DOI: 10.7270/Q2DB82SZ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50019742
PNG
(9-(3-((3S,5R)-3,5-dimethylpiperazin-1-yl)propyl)-9...)
Show SMILES C[C@H]1CN(CCCn2c3ccccc3c3ccccc23)C[C@@H](C)N1 |r|
Show InChI InChI=1S/C21H27N3/c1-16-14-23(15-17(2)22-16)12-7-13-24-20-10-5-3-8-18(20)19-9-4-6-11-21(19)24/h3-6,8-11,16-17,22H,7,12-15H2,1-2H3/t16-,17+
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908n/an/an/an/an/an/an/an/a



NIDA-IRP

Curated by ChEMBL


Assay Description
Binding affinity against Sigma receptor type 1 was determined by the displacement of [3H]pentazocine radioligand


J Med Chem 46: 2589-98 (2003)


Article DOI: 10.1021/jm030008u
BindingDB Entry DOI: 10.7270/Q2H70GJN
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50019742
PNG
(9-(3-((3S,5R)-3,5-dimethylpiperazin-1-yl)propyl)-9...)
Show SMILES C[C@H]1CN(CCCn2c3ccccc3c3ccccc23)C[C@@H](C)N1 |r|
Show InChI InChI=1S/C21H27N3/c1-16-14-23(15-17(2)22-16)12-7-13-24-20-10-5-3-8-18(20)19-9-4-6-11-21(19)24/h3-6,8-11,16-17,22H,7,12-15H2,1-2H3/t16-,17+
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908n/an/an/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL


Assay Description
Displacement of [3H]-pentazocine from sigma 1 receptor in guinea pig brain cortical membrane after 120 mins by scintillation counting analysis


Eur J Med Chem 124: 649-665 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.067
BindingDB Entry DOI: 10.7270/Q2MS3VSX
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50019742
PNG
(9-(3-((3S,5R)-3,5-dimethylpiperazin-1-yl)propyl)-9...)
Show SMILES C[C@H]1CN(CCCn2c3ccccc3c3ccccc23)C[C@@H](C)N1 |r|
Show InChI InChI=1S/C21H27N3/c1-16-14-23(15-17(2)22-16)12-7-13-24-20-10-5-3-8-18(20)19-9-4-6-11-21(19)24/h3-6,8-11,16-17,22H,7,12-15H2,1-2H3/t16-,17+
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n/an/a 180n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity towards Sigma receptor type 2 in whole rat brain homogenates except cerebellum using radioligand ([3H]DTG) 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


(Homo sapiens (Human))
BDBM50019742
PNG
(9-(3-((3S,5R)-3,5-dimethylpiperazin-1-yl)propyl)-9...)
Show SMILES C[C@H]1CN(CCCn2c3ccccc3c3ccccc23)C[C@@H](C)N1 |r|
Show InChI InChI=1S/C21H27N3/c1-16-14-23(15-17(2)22-16)12-7-13-24-20-10-5-3-8-18(20)19-9-4-6-11-21(19)24/h3-6,8-11,16-17,22H,7,12-15H2,1-2H3/t16-,17+
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n/an/a 450n/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [3H]3-PPP to sigma binding site in Guinea pig brain membranes


J Med Chem 35: 4683-9 (1993)


BindingDB Entry DOI: 10.7270/Q20865XT
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50019742
PNG
(9-(3-((3S,5R)-3,5-dimethylpiperazin-1-yl)propyl)-9...)
Show SMILES C[C@H]1CN(CCCn2c3ccccc3c3ccccc23)C[C@@H](C)N1 |r|
Show InChI InChI=1S/C21H27N3/c1-16-14-23(15-17(2)22-16)12-7-13-24-20-10-5-3-8-18(20)19-9-4-6-11-21(19)24/h3-6,8-11,16-17,22H,7,12-15H2,1-2H3/t16-,17+
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n/an/a 589n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
The compound was tested for affinity towards sigma-3 receptor


J Med Chem 37: 4109-17 (1995)


BindingDB Entry DOI: 10.7270/Q2QF8V57
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50019742
PNG
(9-(3-((3S,5R)-3,5-dimethylpiperazin-1-yl)propyl)-9...)
Show SMILES C[C@H]1CN(CCCn2c3ccccc3c3ccccc23)C[C@@H](C)N1 |r|
Show InChI InChI=1S/C21H27N3/c1-16-14-23(15-17(2)22-16)12-7-13-24-20-10-5-3-8-18(20)19-9-4-6-11-21(19)24/h3-6,8-11,16-17,22H,7,12-15H2,1-2H3/t16-,17+
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n/an/a 690n/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)
BDBM50019742
PNG
(9-(3-((3S,5R)-3,5-dimethylpiperazin-1-yl)propyl)-9...)
Show SMILES C[C@H]1CN(CCCn2c3ccccc3c3ccccc23)C[C@@H](C)N1 |r|
Show InChI InChI=1S/C21H27N3/c1-16-14-23(15-17(2)22-16)12-7-13-24-20-10-5-3-8-18(20)19-9-4-6-11-21(19)24/h3-6,8-11,16-17,22H,7,12-15H2,1-2H3/t16-,17+
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n/an/a 690n/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


(Homo sapiens (Human))
BDBM50019742
PNG
(9-(3-((3S,5R)-3,5-dimethylpiperazin-1-yl)propyl)-9...)
Show SMILES C[C@H]1CN(CCCn2c3ccccc3c3ccccc23)C[C@@H](C)N1 |r|
Show InChI InChI=1S/C21H27N3/c1-16-14-23(15-17(2)22-16)12-7-13-24-20-10-5-3-8-18(20)19-9-4-6-11-21(19)24/h3-6,8-11,16-17,22H,7,12-15H2,1-2H3/t16-,17+
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n/an/a 780n/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125I]PIPAG to sigma receptor in Guinea pig brain membranes


J Med Chem 35: 4683-9 (1993)


BindingDB Entry DOI: 10.7270/Q20865XT
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50019742
PNG
(9-(3-((3S,5R)-3,5-dimethylpiperazin-1-yl)propyl)-9...)
Show SMILES C[C@H]1CN(CCCn2c3ccccc3c3ccccc23)C[C@@H](C)N1 |r|
Show InChI InChI=1S/C21H27N3/c1-16-14-23(15-17(2)22-16)12-7-13-24-20-10-5-3-8-18(20)19-9-4-6-11-21(19)24/h3-6,8-11,16-17,22H,7,12-15H2,1-2H3/t16-,17+
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n/an/a 960n/an/an/an/an/an/a



University of Missouri-Columbia

Curated by ChEMBL


Assay Description
Displacement of [3H]pentazocine from sigma1 receptor in guinea pig membrane


Bioorg Med Chem 16: 755-61 (2008)


Article DOI: 10.1016/j.bmc.2007.10.037
BindingDB Entry DOI: 10.7270/Q2251K1T
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50019742
PNG
(9-(3-((3S,5R)-3,5-dimethylpiperazin-1-yl)propyl)-9...)
Show SMILES C[C@H]1CN(CCCn2c3ccccc3c3ccccc23)C[C@@H](C)N1 |r|
Show InChI InChI=1S/C21H27N3/c1-16-14-23(15-17(2)22-16)12-7-13-24-20-10-5-3-8-18(20)19-9-4-6-11-21(19)24/h3-6,8-11,16-17,22H,7,12-15H2,1-2H3/t16-,17+
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n/an/a 1.09E+3n/an/an/an/an/an/a



University of Missouri-Columbia

Curated by ChEMBL


Assay Description
Displacement of [3H]pentazocine from sigma1 receptor in guinea pig membrane in presence of phenytoin


Bioorg Med Chem 16: 755-61 (2008)


Article DOI: 10.1016/j.bmc.2007.10.037
BindingDB Entry DOI: 10.7270/Q2251K1T
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50019742
PNG
(9-(3-((3S,5R)-3,5-dimethylpiperazin-1-yl)propyl)-9...)
Show SMILES C[C@H]1CN(CCCn2c3ccccc3c3ccccc23)C[C@@H](C)N1 |r|
Show InChI InChI=1S/C21H27N3/c1-16-14-23(15-17(2)22-16)12-7-13-24-20-10-5-3-8-18(20)19-9-4-6-11-21(19)24/h3-6,8-11,16-17,22H,7,12-15H2,1-2H3/t16-,17+
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n/an/a 1.40E+3n/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [3H]DTG to sigma receptor in Guinea pig brain membranes


J Med Chem 35: 4683-9 (1993)


BindingDB Entry DOI: 10.7270/Q20865XT
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50019742
PNG
(9-(3-((3S,5R)-3,5-dimethylpiperazin-1-yl)propyl)-9...)
Show SMILES C[C@H]1CN(CCCn2c3ccccc3c3ccccc23)C[C@@H](C)N1 |r|
Show InChI InChI=1S/C21H27N3/c1-16-14-23(15-17(2)22-16)12-7-13-24-20-10-5-3-8-18(20)19-9-4-6-11-21(19)24/h3-6,8-11,16-17,22H,7,12-15H2,1-2H3/t16-,17+
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n/an/a 1.48E+3n/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity was evaluated using [3H]pentazocine binding to sigma-1 receptor from guinea pig brain


J Med Chem 40: 4340-46 (1998)


Article DOI: 10.1021/jm9705519
BindingDB Entry DOI: 10.7270/Q26H4J34
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50019742
PNG
(9-(3-((3S,5R)-3,5-dimethylpiperazin-1-yl)propyl)-9...)
Show SMILES C[C@H]1CN(CCCn2c3ccccc3c3ccccc23)C[C@@H](C)N1 |r|
Show InChI InChI=1S/C21H27N3/c1-16-14-23(15-17(2)22-16)12-7-13-24-20-10-5-3-8-18(20)19-9-4-6-11-21(19)24/h3-6,8-11,16-17,22H,7,12-15H2,1-2H3/t16-,17+
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n/an/a 2.50E+3n/an/an/an/an/an/a



Otsuka Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Binding affinity for sigma receptor was evaluated by the inhibitory effect on [3H]DTG to rat whole brain membranes


J Med Chem 43: 177-89 (2000)


BindingDB Entry DOI: 10.7270/Q2P84CK8
More data for this
Ligand-Target Pair