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Found 12 hits Enz. Inhib. hit(s) with Target = 'Sigma non-opioid intracellular receptor 1' and Ligand = 'BDBM50035105'   
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


(Homo sapiens (Human))
BDBM50035105
PNG
(1'-{4-[1-(4-fluorophenyl)-1H-3-indolyl]butyl}spiro...)
Show SMILES Fc1ccc(cc1)-n1cc(CCCCN2CCC3(CC2)OCc2ccccc32)c2ccccc12
Show InChI InChI=1S/C30H31FN2O/c31-25-12-14-26(15-13-25)33-21-23(27-9-2-4-11-29(27)33)7-5-6-18-32-19-16-30(17-20-32)28-10-3-1-8-24(28)22-34-30/h1-4,8-15,21H,5-7,16-20,22H2
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11n/an/an/an/an/an/an/an/a


TBA

Assay Description
In vivo inhibitory activity against Angiotensin I converting enzyme was evaluated in renal hypertensive rats


Citation and Details
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50035105
PNG
(1'-{4-[1-(4-fluorophenyl)-1H-3-indolyl]butyl}spiro...)
Show SMILES Fc1ccc(cc1)-n1cc(CCCCN2CCC3(CC2)OCc2ccccc32)c2ccccc12
Show InChI InChI=1S/C30H31FN2O/c31-25-12-14-26(15-13-25)33-21-23(27-9-2-4-11-29(27)33)7-5-6-18-32-19-16-30(17-20-32)28-10-3-1-8-24(28)22-34-30/h1-4,8-15,21H,5-7,16-20,22H2
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17n/an/an/an/an/an/an/an/a



Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in quinea pig brain membranes


J Med Chem 61: 9666-9690 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01183
BindingDB Entry DOI: 10.7270/Q2M32Z9M
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50035105
PNG
(1'-{4-[1-(4-fluorophenyl)-1H-3-indolyl]butyl}spiro...)
Show SMILES Fc1ccc(cc1)-n1cc(CCCCN2CCC3(CC2)OCc2ccccc32)c2ccccc12
Show InChI InChI=1S/C30H31FN2O/c31-25-12-14-26(15-13-25)33-21-23(27-9-2-4-11-29(27)33)7-5-6-18-32-19-16-30(17-20-32)28-10-3-1-8-24(28)22-34-30/h1-4,8-15,21H,5-7,16-20,22H2
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17n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to sigma-1 receptor (unknown origin)


J Med Chem 57: 4239-51 (2014)


Article DOI: 10.1021/jm5001453
BindingDB Entry DOI: 10.7270/Q20P11KX
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50035105
PNG
(1'-{4-[1-(4-fluorophenyl)-1H-3-indolyl]butyl}spiro...)
Show SMILES Fc1ccc(cc1)-n1cc(CCCCN2CCC3(CC2)OCc2ccccc32)c2ccccc12
Show InChI InChI=1S/C30H31FN2O/c31-25-12-14-26(15-13-25)33-21-23(27-9-2-4-11-29(27)33)7-5-6-18-32-19-16-30(17-20-32)28-10-3-1-8-24(28)22-34-30/h1-4,8-15,21H,5-7,16-20,22H2
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17n/an/an/an/an/an/an/an/a



Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain cortex membranes incubated for 120 mins by scintillation counting metho...


J Med Chem 61: 9666-9690 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01183
BindingDB Entry DOI: 10.7270/Q2M32Z9M
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50035105
PNG
(1'-{4-[1-(4-fluorophenyl)-1H-3-indolyl]butyl}spiro...)
Show SMILES Fc1ccc(cc1)-n1cc(CCCCN2CCC3(CC2)OCc2ccccc32)c2ccccc12
Show InChI InChI=1S/C30H31FN2O/c31-25-12-14-26(15-13-25)33-21-23(27-9-2-4-11-29(27)33)7-5-6-18-32-19-16-30(17-20-32)28-10-3-1-8-24(28)22-34-30/h1-4,8-15,21H,5-7,16-20,22H2
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17n/an/an/an/an/an/an/an/a



Guangdong Medical University

Curated by ChEMBL


Assay Description
Binding affinity to sigma-1 receptor (unknown origin)


Eur J Med Chem 147: 227-237 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.016
BindingDB Entry DOI: 10.7270/Q2SQ92XB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50035105
PNG
(1'-{4-[1-(4-fluorophenyl)-1H-3-indolyl]butyl}spiro...)
Show SMILES Fc1ccc(cc1)-n1cc(CCCCN2CCC3(CC2)OCc2ccccc32)c2ccccc12
Show InChI InChI=1S/C30H31FN2O/c31-25-12-14-26(15-13-25)33-21-23(27-9-2-4-11-29(27)33)7-5-6-18-32-19-16-30(17-20-32)28-10-3-1-8-24(28)22-34-30/h1-4,8-15,21H,5-7,16-20,22H2
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17n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Binding affinity to sigma 1 receptor


Eur J Med Chem 46: 5154-61 (2011)


Article DOI: 10.1016/j.ejmech.2011.08.031
BindingDB Entry DOI: 10.7270/Q2PV6KRM
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50035105
PNG
(1'-{4-[1-(4-fluorophenyl)-1H-3-indolyl]butyl}spiro...)
Show SMILES Fc1ccc(cc1)-n1cc(CCCCN2CCC3(CC2)OCc2ccccc32)c2ccccc12
Show InChI InChI=1S/C30H31FN2O/c31-25-12-14-26(15-13-25)33-21-23(27-9-2-4-11-29(27)33)7-5-6-18-32-19-16-30(17-20-32)28-10-3-1-8-24(28)22-34-30/h1-4,8-15,21H,5-7,16-20,22H2
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17n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to sigma-1 opioid receptor (unknown origin)


J Med Chem 56: 7137-60 (2013)


Article DOI: 10.1021/jm301545c
BindingDB Entry DOI: 10.7270/Q22R3T54
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50035105
PNG
(1'-{4-[1-(4-fluorophenyl)-1H-3-indolyl]butyl}spiro...)
Show SMILES Fc1ccc(cc1)-n1cc(CCCCN2CCC3(CC2)OCc2ccccc32)c2ccccc12
Show InChI InChI=1S/C30H31FN2O/c31-25-12-14-26(15-13-25)33-21-23(27-9-2-4-11-29(27)33)7-5-6-18-32-19-16-30(17-20-32)28-10-3-1-8-24(28)22-34-30/h1-4,8-15,21H,5-7,16-20,22H2
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17n/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 rat brain homogenates without cerebellum


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)
BDBM50035105
PNG
(1'-{4-[1-(4-fluorophenyl)-1H-3-indolyl]butyl}spiro...)
Show SMILES Fc1ccc(cc1)-n1cc(CCCCN2CCC3(CC2)OCc2ccccc32)c2ccccc12
Show InChI InChI=1S/C30H31FN2O/c31-25-12-14-26(15-13-25)33-21-23(27-9-2-4-11-29(27)33)7-5-6-18-32-19-16-30(17-20-32)28-10-3-1-8-24(28)22-34-30/h1-4,8-15,21H,5-7,16-20,22H2
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n/an/a 0.120n/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
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50035105
PNG
(1'-{4-[1-(4-fluorophenyl)-1H-3-indolyl]butyl}spiro...)
Show SMILES Fc1ccc(cc1)-n1cc(CCCCN2CCC3(CC2)OCc2ccccc32)c2ccccc12
Show InChI InChI=1S/C30H31FN2O/c31-25-12-14-26(15-13-25)33-21-23(27-9-2-4-11-29(27)33)7-5-6-18-32-19-16-30(17-20-32)28-10-3-1-8-24(28)22-34-30/h1-4,8-15,21H,5-7,16-20,22H2
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n/an/a 17n/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)
BDBM50035105
PNG
(1'-{4-[1-(4-fluorophenyl)-1H-3-indolyl]butyl}spiro...)
Show SMILES Fc1ccc(cc1)-n1cc(CCCCN2CCC3(CC2)OCc2ccccc32)c2ccccc12
Show InChI InChI=1S/C30H31FN2O/c31-25-12-14-26(15-13-25)33-21-23(27-9-2-4-11-29(27)33)7-5-6-18-32-19-16-30(17-20-32)28-10-3-1-8-24(28)22-34-30/h1-4,8-15,21H,5-7,16-20,22H2
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n/an/a 17n/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H] (+)-pentazocine from sigma 1 receptor in rat liver homogenate


Eur J Med Chem 43: 2073-81 (2008)


Article DOI: 10.1016/j.ejmech.2007.09.012
BindingDB Entry DOI: 10.7270/Q27D2TW8
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50035105
PNG
(1'-{4-[1-(4-fluorophenyl)-1H-3-indolyl]butyl}spiro...)
Show SMILES Fc1ccc(cc1)-n1cc(CCCCN2CCC3(CC2)OCc2ccccc32)c2ccccc12
Show InChI InChI=1S/C30H31FN2O/c31-25-12-14-26(15-13-25)33-21-23(27-9-2-4-11-29(27)33)7-5-6-18-32-19-16-30(17-20-32)28-10-3-1-8-24(28)22-34-30/h1-4,8-15,21H,5-7,16-20,22H2
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n/an/a 17n/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