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Compile Data Set for Download or QSAR

Found 41 hits with Last Name = 'girault-mizzi' and Initial = 's'   
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))
BDBM50172914
PNG
((S)-2-(2-Piperidin-1-yl-ethyl)-3-thioxo-2,3,10,10a...)
Show SMILES Oc1c2Cc3ccccc3Cn2c(=S)n1CCN1CCCCC1
Show InChI InChI=1S/C18H23N3OS/c22-17-16-12-14-6-2-3-7-15(14)13-21(16)18(23)20(17)11-10-19-8-4-1-5-9-19/h2-3,6-7,22H,1,4-5,8-13H2
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n/an/a 0.900n/an/an/an/an/an/a



Université de Lille II

Curated by ChEMBL


Assay Description
Inhibitory concentration against opioid receptor sigma 1 of guinea pig cerebral cortex using [3H]-(+)-pentazocine upon incubation for 150 minutes at ...


Bioorg Med Chem Lett 15: 4833-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.040
BindingDB Entry DOI: 10.7270/Q2PN9553
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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n/an/a 2.10n/an/an/an/an/an/a



Université de Lille II

Curated by ChEMBL


Assay Description
Inhibitory concentration against opioid receptor sigma 1 of guinea pig cerebral cortex using [3H]-(+)-pentazocine upon incubation for 150 minutes at ...


Bioorg Med Chem Lett 15: 4833-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.040
BindingDB Entry DOI: 10.7270/Q2PN9553
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50172886
PNG
((S)-2-[3-(Methyl-phenethyl-amino)-propyl]-10,10a-d...)
Show SMILES CN(CCCn1c(O)c2Cc3ccccc3Cn2c1=O)CCc1ccccc1
Show InChI InChI=1S/C23H27N3O2/c1-24(15-12-18-8-3-2-4-9-18)13-7-14-25-22(27)21-16-19-10-5-6-11-20(19)17-26(21)23(25)28/h2-6,8-11,27H,7,12-17H2,1H3
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n/an/a 2.10n/an/an/an/a7.5n/a



Université de Lille II

Curated by ChEMBL


Assay Description
Inhibitory activity against opioid receptor sigma 1 in guinea pig cerebral cortex using [3H]-(+)-pentazocine as radio ligand at pH 7.5 for 150 min at...


Bioorg Med Chem Lett 15: 4828-32 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.039
BindingDB Entry DOI: 10.7270/Q2TD9WW1
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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n/an/a 2.10n/an/an/an/a7.5n/a



Université de Lille II

Curated by ChEMBL


Assay Description
Inhibitory activity against opioid receptor sigma 1 in guinea pig cerebral cortex using [3H]-(+)-pentazocine as radio ligand at pH 7.5 for 150 min at...


Bioorg Med Chem Lett 15: 4828-32 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.039
BindingDB Entry DOI: 10.7270/Q2TD9WW1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50172884
PNG
((S)-2-(1-Benzyl-piperidin-4-yl)-10,10a-dihydro-5H-...)
Show SMILES Oc1c2Cc3ccccc3Cn2c(=O)n1C1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C23H25N3O2/c27-22-21-14-18-8-4-5-9-19(18)16-25(21)23(28)26(22)20-10-12-24(13-11-20)15-17-6-2-1-3-7-17/h1-9,20,27H,10-16H2
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n/an/a 2.40n/an/an/an/a7.522



Université de Lille II

Curated by ChEMBL


Assay Description
Inhibitory activity against Opioid receptor sigma 1 in guinea pig cerebral cortex using [3H]-(+)-pentazocine as radio ligand at pH 7.5 for 150 min at...


Bioorg Med Chem Lett 15: 4828-32 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.039
BindingDB Entry DOI: 10.7270/Q2TD9WW1
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50172874
PNG
((S)-2-{2-[Methyl-(5-phenyl-pentyl)-amino]-ethyl}-1...)
Show SMILES CN(CCCCCc1ccccc1)CCn1c(O)c2Cc3ccccc3Cn2c1=O
Show InChI InChI=1S/C25H31N3O2/c1-26(15-9-3-6-12-20-10-4-2-5-11-20)16-17-27-24(29)23-18-21-13-7-8-14-22(21)19-28(23)25(27)30/h2,4-5,7-8,10-11,13-14,29H,3,6,9,12,15-19H2,1H3
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n/an/a 2.90n/an/an/an/a7.5n/a



Université de Lille II

Curated by ChEMBL


Assay Description
Inhibitory activity against opioid receptor sigma 1 in guinea pig cerebral cortex using [3H]-(+)-pentazocine as radio ligand at pH 7.5 for 150 min at...


Bioorg Med Chem Lett 15: 4828-32 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.039
BindingDB Entry DOI: 10.7270/Q2TD9WW1
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50172869
PNG
((S)-2-{2-[Methyl-(4-phenyl-butyl)-amino]-ethyl}-10...)
Show SMILES CN(CCCCc1ccccc1)CCn1c(O)c2Cc3ccccc3Cn2c1=O
Show InChI InChI=1S/C24H29N3O2/c1-25(14-8-7-11-19-9-3-2-4-10-19)15-16-26-23(28)22-17-20-12-5-6-13-21(20)18-27(22)24(26)29/h2-6,9-10,12-13,28H,7-8,11,14-18H2,1H3
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n/an/a 3.20n/an/an/an/a7.5n/a



Université de Lille II

Curated by ChEMBL


Assay Description
Inhibitory activity against opioid receptor sigma 1 in guinea pig cerebral cortex using [3H]-(+)-pentazocine as radio ligand at pH 7.5 for 150 min at...


Bioorg Med Chem Lett 15: 4828-32 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.039
BindingDB Entry DOI: 10.7270/Q2TD9WW1
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50172868
PNG
((S)-2-(3-(benzyl(methyl)amino)propyl)-10,10a-dihyd...)
Show SMILES CN(CCCn1c(O)c2Cc3ccccc3Cn2c1=O)Cc1ccccc1
Show InChI InChI=1S/C22H25N3O2/c1-23(15-17-8-3-2-4-9-17)12-7-13-24-21(26)20-14-18-10-5-6-11-19(18)16-25(20)22(24)27/h2-6,8-11,26H,7,12-16H2,1H3
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n/an/a 3.90n/an/an/an/a7.5n/a



Université de Lille II

Curated by ChEMBL


Assay Description
Inhibitory activity against opioid receptor sigma 1 in guinea pig cerebral cortex using [3H]-(+)-pentazocine as radio ligand at pH 7.5 for 150 min at...


Bioorg Med Chem Lett 15: 4828-32 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.039
BindingDB Entry DOI: 10.7270/Q2TD9WW1
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50172875
PNG
((S)-2-[4-(Benzyl-methyl-amino)-butyl]-10,10a-dihyd...)
Show SMILES CN(CCCCn1c(O)c2Cc3ccccc3Cn2c1=O)Cc1ccccc1
Show InChI InChI=1S/C23H27N3O2/c1-24(16-18-9-3-2-4-10-18)13-7-8-14-25-22(27)21-15-19-11-5-6-12-20(19)17-26(21)23(25)28/h2-6,9-12,27H,7-8,13-17H2,1H3
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n/an/a 4.20n/an/an/an/a7.5n/a



Université de Lille II

Curated by ChEMBL


Assay Description
Inhibitory activity against opioid receptor sigma 1 in guinea pig cerebral cortex using [3H]-(+)-pentazocine as radio ligand at pH 7.5 for 150 min at...


Bioorg Med Chem Lett 15: 4828-32 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.039
BindingDB Entry DOI: 10.7270/Q2TD9WW1
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50172881
PNG
((S)-2-[2-(Benzyl-methyl-amino)-ethyl]-10,10a-dihyd...)
Show SMILES CN(CCn1c(O)c2Cc3ccccc3Cn2c1=O)Cc1ccccc1
Show InChI InChI=1S/C21H23N3O2/c1-22(14-16-7-3-2-4-8-16)11-12-23-20(25)19-13-17-9-5-6-10-18(17)15-24(19)21(23)26/h2-10,25H,11-15H2,1H3
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n/an/a 4.5n/an/an/an/a7.5n/a



Université de Lille II

Curated by ChEMBL


Assay Description
Inhibitory activity against opioid receptor sigma 1 in guinea pig cerebral cortex using [3H]-(+)-pentazocine as radio ligand at pH 7.5 for 150 min at...


Bioorg Med Chem Lett 15: 4828-32 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.039
BindingDB Entry DOI: 10.7270/Q2TD9WW1
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50172880
PNG
((S)-2-[5-(Benzyl-methyl-amino)-pentyl]-10,10a-dihy...)
Show SMILES CN(CCCCCn1c(O)c2Cc3ccccc3Cn2c1=O)Cc1ccccc1
Show InChI InChI=1S/C24H29N3O2/c1-25(17-19-10-4-2-5-11-19)14-8-3-9-15-26-23(28)22-16-20-12-6-7-13-21(20)18-27(22)24(26)29/h2,4-7,10-13,28H,3,8-9,14-18H2,1H3
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n/an/a 5n/an/an/an/a7.5n/a



Université de Lille II

Curated by ChEMBL


Assay Description
Inhibitory activity against opioid receptor sigma 1 in guinea pig cerebral cortex using [3H]-(+)-pentazocine as radio ligand at pH 7.5 for 150 min at...


Bioorg Med Chem Lett 15: 4828-32 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.039
BindingDB Entry DOI: 10.7270/Q2TD9WW1
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50172877
PNG
((S)-2-(2-Piperidin-1-yl-ethyl)-10,10a-dihydro-5H-i...)
Show SMILES Oc1c2Cc3ccccc3Cn2c(=O)n1CCN1CCCCC1
Show InChI InChI=1S/C18H23N3O2/c22-17-16-12-14-6-2-3-7-15(14)13-21(16)18(23)20(17)11-10-19-8-4-1-5-9-19/h2-3,6-7,22H,1,4-5,8-13H2
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n/an/a 6.60n/an/an/an/an/an/a



Université de Lille II

Curated by ChEMBL


Assay Description
Inhibitory concentration against opioid receptor sigma 1 of guinea pig cerebral cortex using [3H]-(+)-pentazocine upon incubation for 150 minutes at ...


Bioorg Med Chem Lett 15: 4833-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.040
BindingDB Entry DOI: 10.7270/Q2PN9553
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50172887
PNG
((S)-2-[6-(Benzyl-methyl-amino)-hexyl]-10,10a-dihyd...)
Show SMILES CN(CCCCCCn1c(O)c2Cc3ccccc3Cn2c1=O)Cc1ccccc1
Show InChI InChI=1S/C25H31N3O2/c1-26(18-20-11-5-4-6-12-20)15-9-2-3-10-16-27-24(29)23-17-21-13-7-8-14-22(21)19-28(23)25(27)30/h4-8,11-14,29H,2-3,9-10,15-19H2,1H3
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n/an/a 9.40n/an/an/an/a7.5n/a



Université de Lille II

Curated by ChEMBL


Assay Description
Inhibitory activity against opioid receptor sigma 1 in guinea pig cerebral cortex using [3H]-(+)-pentazocine as radio ligand at pH 7.5 for 150 min at...


Bioorg Med Chem Lett 15: 4828-32 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.039
BindingDB Entry DOI: 10.7270/Q2TD9WW1
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50172871
PNG
((S)-2-(3-Benzylamino-propyl)-10,10a-dihydro-5H-imi...)
Show SMILES Oc1c2Cc3ccccc3Cn2c(=O)n1CCCNCc1ccccc1
Show InChI InChI=1S/C21H23N3O2/c25-20-19-13-17-9-4-5-10-18(17)15-24(19)21(26)23(20)12-6-11-22-14-16-7-2-1-3-8-16/h1-5,7-10,22,25H,6,11-15H2
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n/an/a 9.60n/an/an/an/a7.5n/a



Université de Lille II

Curated by ChEMBL


Assay Description
Inhibitory activity against opioid receptor sigma 1 in guinea pig cerebral cortex using [3H]-(+)-pentazocine as radio ligand at pH 7.5 for 150 min at...


Bioorg Med Chem Lett 15: 4828-32 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.039
BindingDB Entry DOI: 10.7270/Q2TD9WW1
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50172876
PNG
((S)-2-[4-(Methyl-phenethyl-amino)-butyl]-10,10a-di...)
Show SMILES CN(CCCCn1c(O)c2Cc3ccccc3Cn2c1=O)CCc1ccccc1
Show InChI InChI=1S/C24H29N3O2/c1-25(16-13-19-9-3-2-4-10-19)14-7-8-15-26-23(28)22-17-20-11-5-6-12-21(20)18-27(22)24(26)29/h2-6,9-12,28H,7-8,13-18H2,1H3
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n/an/a 9.90n/an/an/an/a7.5n/a



Université de Lille II

Curated by ChEMBL


Assay Description
Inhibitory activity against opioid receptor sigma 1 in guinea pig cerebral cortex using [3H]-(+)-pentazocine as radio ligand at pH 7.5 for 150 min at...


Bioorg Med Chem Lett 15: 4828-32 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.039
BindingDB Entry DOI: 10.7270/Q2TD9WW1
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50172873
PNG
((S)-2-[3-(4-Phenyl-butylamino)-propyl]-10,10a-dihy...)
Show SMILES Oc1c2Cc3ccccc3Cn2c(=O)n1CCCNCCCCc1ccccc1
Show InChI InChI=1S/C24H29N3O2/c28-23-22-17-20-12-4-5-13-21(20)18-27(22)24(29)26(23)16-8-15-25-14-7-6-11-19-9-2-1-3-10-19/h1-5,9-10,12-13,25,28H,6-8,11,14-18H2
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n/an/a 10.5n/an/an/an/a7.5n/a



Université de Lille II

Curated by ChEMBL


Assay Description
Inhibitory activity against opioid receptor sigma 1 in guinea pig cerebral cortex using [3H]-(+)-pentazocine as radio ligand at pH 7.5 for 150 min at...


Bioorg Med Chem Lett 15: 4828-32 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.039
BindingDB Entry DOI: 10.7270/Q2TD9WW1
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50172893
PNG
((S)-2-[5-(Methyl-phenethyl-amino)-pentyl]-10,10a-d...)
Show SMILES CN(CCCCCn1c(O)c2Cc3ccccc3Cn2c1=O)CCc1ccccc1
Show InChI InChI=1S/C25H31N3O2/c1-26(17-14-20-10-4-2-5-11-20)15-8-3-9-16-27-24(29)23-18-21-12-6-7-13-22(21)19-28(23)25(27)30/h2,4-7,10-13,29H,3,8-9,14-19H2,1H3
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n/an/a 11.7n/an/an/an/a7.5n/a



Université de Lille II

Curated by ChEMBL


Assay Description
Inhibitory activity against opioid receptor sigma 1 in guinea pig cerebral cortex using [3H]-(+)-pentazocine as radio ligand at pH 7.5 for 150 min at...


Bioorg Med Chem Lett 15: 4828-32 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.039
BindingDB Entry DOI: 10.7270/Q2TD9WW1
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50172867
PNG
((S)-2-[2-(Methyl-phenethyl-amino)-ethyl]-10,10a-di...)
Show SMILES CN(CCc1ccccc1)CCn1c(O)c2Cc3ccccc3Cn2c1=O
Show InChI InChI=1S/C22H25N3O2/c1-23(12-11-17-7-3-2-4-8-17)13-14-24-21(26)20-15-18-9-5-6-10-19(18)16-25(20)22(24)27/h2-10,26H,11-16H2,1H3
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n/an/a 12.6n/an/an/an/a7.5n/a



Université de Lille II

Curated by ChEMBL


Assay Description
Inhibitory activity against opioid receptor sigma 1 in guinea pig cerebral cortex using [3H]-(+)-pentazocine as radio ligand at pH 7.5 for 150 min at...


Bioorg Med Chem Lett 15: 4828-32 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.039
BindingDB Entry DOI: 10.7270/Q2TD9WW1
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50172888
PNG
((S)-2-{2-[Methyl-(3-phenyl-propyl)-amino]-ethyl}-1...)
Show SMILES CN(CCCc1ccccc1)CCn1c(O)c2Cc3ccccc3Cn2c1=O
Show InChI InChI=1S/C23H27N3O2/c1-24(13-7-10-18-8-3-2-4-9-18)14-15-25-22(27)21-16-19-11-5-6-12-20(19)17-26(21)23(25)28/h2-6,8-9,11-12,27H,7,10,13-17H2,1H3
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n/an/a 13.6n/an/an/an/a7.5n/a



Université de Lille II

Curated by ChEMBL


Assay Description
Inhibitory activity against opioid receptor sigma 1 in guinea pig cerebral cortex using [3H]-(+)-pentazocine as radio ligand at pH 7.5 for 150 min at...


Bioorg Med Chem Lett 15: 4828-32 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.039
BindingDB Entry DOI: 10.7270/Q2TD9WW1
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50172877
PNG
((S)-2-(2-Piperidin-1-yl-ethyl)-10,10a-dihydro-5H-i...)
Show SMILES Oc1c2Cc3ccccc3Cn2c(=O)n1CCN1CCCCC1
Show InChI InChI=1S/C18H23N3O2/c22-17-16-12-14-6-2-3-7-15(14)13-21(16)18(23)20(17)11-10-19-8-4-1-5-9-19/h2-3,6-7,22H,1,4-5,8-13H2
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n/an/a 16n/an/an/an/an/an/a



Université de Lille II

Curated by ChEMBL


Assay Description
Inhibitory concentration against opioid receptor sigma 1 of guinea pig cerebral cortex using [3H]-(+)-pentazocine upon incubation for 150 minutes at ...


Bioorg Med Chem Lett 15: 4833-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.040
BindingDB Entry DOI: 10.7270/Q2PN9553
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50172877
PNG
((S)-2-(2-Piperidin-1-yl-ethyl)-10,10a-dihydro-5H-i...)
Show SMILES Oc1c2Cc3ccccc3Cn2c(=O)n1CCN1CCCCC1
Show InChI InChI=1S/C18H23N3O2/c22-17-16-12-14-6-2-3-7-15(14)13-21(16)18(23)20(17)11-10-19-8-4-1-5-9-19/h2-3,6-7,22H,1,4-5,8-13H2
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n/an/a 16n/an/an/an/a7.5n/a



Université de Lille II

Curated by ChEMBL


Assay Description
Inhibitory activity against opioid receptor sigma 1 in guinea pig cerebral cortex using [3H]-(+)-pentazocine as radio ligand at pH 7.5 for 150 min at...


Bioorg Med Chem Lett 15: 4828-32 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.039
BindingDB Entry DOI: 10.7270/Q2TD9WW1
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50172879
PNG
((S)-2-(3-Piperidin-1-yl-propyl)-10,10a-dihydro-5H-...)
Show SMILES Oc1c2Cc3ccccc3Cn2c(=O)n1CCCN1CCCCC1
Show InChI InChI=1S/C19H25N3O2/c23-18-17-13-15-7-2-3-8-16(15)14-22(17)19(24)21(18)12-6-11-20-9-4-1-5-10-20/h2-3,7-8,23H,1,4-6,9-14H2
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n/an/a 21.5n/an/an/an/a7.5n/a



Université de Lille II

Curated by ChEMBL


Assay Description
Inhibitory activity against opioid receptor sigma 1 in guinea pig cerebral cortex using [3H]-(+)-pentazocine as radio ligand at pH 7.5 for 150 min at...


Bioorg Med Chem Lett 15: 4828-32 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.039
BindingDB Entry DOI: 10.7270/Q2TD9WW1
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50172879
PNG
((S)-2-(3-Piperidin-1-yl-propyl)-10,10a-dihydro-5H-...)
Show SMILES Oc1c2Cc3ccccc3Cn2c(=O)n1CCCN1CCCCC1
Show InChI InChI=1S/C19H25N3O2/c23-18-17-13-15-7-2-3-8-16(15)14-22(17)19(24)21(18)12-6-11-20-9-4-1-5-10-20/h2-3,7-8,23H,1,4-6,9-14H2
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n/an/a 21.5n/an/an/an/an/an/a



Université de Lille II

Curated by ChEMBL


Assay Description
Inhibitory concentration against opioid receptor sigma 1 of guinea pig cerebral cortex using [3H]-(+)-pentazocine upon incubation for 150 minutes at ...


Bioorg Med Chem Lett 15: 4833-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.040
BindingDB Entry DOI: 10.7270/Q2PN9553
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50172889
PNG
((S)-2-[3-(4-Benzo[1,3]dioxol-5-ylmethyl-piperazin-...)
Show SMILES Oc1c2Cc3ccccc3Cn2c(=O)n1CCCN1CCN(Cc2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C26H30N4O4/c31-25-22-15-20-4-1-2-5-21(20)17-30(22)26(32)29(25)9-3-8-27-10-12-28(13-11-27)16-19-6-7-23-24(14-19)34-18-33-23/h1-2,4-7,14,31H,3,8-13,15-18H2
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n/an/a 23.8n/an/an/an/a7.5n/a



Université de Lille II

Curated by ChEMBL


Assay Description
Inhibitory activity against opioid receptor sigma 1 in guinea pig cerebral cortex using [3H]-(+)-pentazocine as radio ligand at pH 7.5 for 150 min at...


Bioorg Med Chem Lett 15: 4828-32 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.039
BindingDB Entry DOI: 10.7270/Q2TD9WW1
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50172885
PNG
((S)-2-[6-(Methyl-phenethyl-amino)-hexyl]-10,10a-di...)
Show SMILES CN(CCCCCCn1c(O)c2Cc3ccccc3Cn2c1=O)CCc1ccccc1
Show InChI InChI=1S/C26H33N3O2/c1-27(18-15-21-11-5-4-6-12-21)16-9-2-3-10-17-28-25(30)24-19-22-13-7-8-14-23(22)20-29(24)26(28)31/h4-8,11-14,30H,2-3,9-10,15-20H2,1H3
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n/an/a 29.5n/an/an/an/a7.522



Université de Lille II

Curated by ChEMBL


Assay Description
Inhibitory activity against Opioid receptor sigma 1 in guinea pig cerebral cortex using [3H]-(+)-pentazocine as radio ligand at pH 7.5 for 150 min at...


Bioorg Med Chem Lett 15: 4828-32 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.039
BindingDB Entry DOI: 10.7270/Q2TD9WW1
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50172872
PNG
((S)-2-[3-(4-Benzyl-piperazin-1-yl)-propyl]-10,10a-...)
Show SMILES Oc1c2Cc3ccccc3Cn2c(=O)n1CCCN1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C25H30N4O2/c30-24-23-17-21-9-4-5-10-22(21)19-29(23)25(31)28(24)12-6-11-26-13-15-27(16-14-26)18-20-7-2-1-3-8-20/h1-5,7-10,30H,6,11-19H2
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n/an/a 32n/an/an/an/a7.5n/a



Université de Lille II

Curated by ChEMBL


Assay Description
Inhibitory activity against opioid receptor sigma 1 in guinea pig cerebral cortex using [3H]-(+)-pentazocine as radio ligand at pH 7.5 for 150 min at...


Bioorg Med Chem Lett 15: 4828-32 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.039
BindingDB Entry DOI: 10.7270/Q2TD9WW1
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50172912
PNG
((S)-2-(2-Piperidin-1-yl-ethyl)-1,5,10,10a-tetrahyd...)
Show SMILES O=C1N(CCN2CCCCC2)C[C@@H]2Cc3ccccc3CN12
Show InChI InChI=1S/C18H25N3O/c22-18-20(11-10-19-8-4-1-5-9-19)14-17-12-15-6-2-3-7-16(15)13-21(17)18/h2-3,6-7,17H,1,4-5,8-14H2/t17-/m0/s1
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n/an/a 54n/an/an/an/an/an/a



Université de Lille II

Curated by ChEMBL


Assay Description
Inhibitory concentration against opioid receptor sigma 1 of guinea pig cerebral cortex using [3H]-(+)-pentazocine upon incubation for 150 minutes at ...


Bioorg Med Chem Lett 15: 4833-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.040
BindingDB Entry DOI: 10.7270/Q2PN9553
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50172911
PNG
((S)-2-(3-Piperidin-1-yl-propyl)-9,9a-dihydro-imida...)
Show SMILES Oc1c2Cc3ccccc3-n2c(=O)n1CCCN1CCCCC1
Show InChI InChI=1S/C18H23N3O2/c22-17-16-13-14-7-2-3-8-15(14)21(16)18(23)20(17)12-6-11-19-9-4-1-5-10-19/h2-3,7-8,22H,1,4-6,9-13H2
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n/an/a 66n/an/an/an/an/an/a



Université de Lille II

Curated by ChEMBL


Assay Description
Inhibitory concentration against opioid receptor sigma 1 of guinea pig cerebral cortex using [3H]-(+)-pentazocine upon incubation for 150 minutes at ...


Bioorg Med Chem Lett 15: 4833-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.040
BindingDB Entry DOI: 10.7270/Q2PN9553
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50172915
PNG
((S)-2-(2-Piperidin-1-yl-ethyl)-1,2,3,5,10,10a-hexa...)
Show SMILES C(CN1CCCCC1)N1C[C@@H]2Cc3ccccc3CN2C1
Show InChI InChI=1S/C18H27N3/c1-4-8-19(9-5-1)10-11-20-14-18-12-16-6-2-3-7-17(16)13-21(18)15-20/h2-3,6-7,18H,1,4-5,8-15H2/t18-/m0/s1
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n/an/a 77n/an/an/an/an/an/a



Université de Lille II

Curated by ChEMBL


Assay Description
Inhibitory concentration against opioid receptor sigma 1 of guinea pig cerebral cortex using [3H]-(+)-pentazocine upon incubation for 150 minutes at ...


Bioorg Med Chem Lett 15: 4833-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.040
BindingDB Entry DOI: 10.7270/Q2PN9553
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50172891
PNG
((S)-2-[3-(1-Benzyl-piperidin-4-ylamino)-propyl]-10...)
Show SMILES Oc1c2Cc3ccccc3Cn2c(=O)n1CCCNC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C26H32N4O2/c31-25-24-17-21-9-4-5-10-22(21)19-30(24)26(32)29(25)14-6-13-27-23-11-15-28(16-12-23)18-20-7-2-1-3-8-20/h1-5,7-10,23,27,31H,6,11-19H2
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n/an/a 82.3n/an/an/an/a7.5n/a



Université de Lille II

Curated by ChEMBL


Assay Description
Inhibitory activity against opioid receptor sigma 1 in guinea pig cerebral cortex using [3H]-(+)-pentazocine as radio ligand at pH 7.5 for 150 min at...


Bioorg Med Chem Lett 15: 4828-32 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.039
BindingDB Entry DOI: 10.7270/Q2TD9WW1
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50172870
PNG
((S)-2-{2-[4-(2-Hydroxy-ethyl)-piperazin-1-yl]-ethy...)
Show SMILES OCCN1CCN(CCn2c(O)c3Cc4ccccc4Cn3c2=O)CC1
Show InChI InChI=1S/C19H26N4O3/c24-12-11-21-7-5-20(6-8-21)9-10-22-18(25)17-13-15-3-1-2-4-16(15)14-23(17)19(22)26/h1-4,24-25H,5-14H2
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n/an/a>100n/an/an/an/a7.5n/a



Université de Lille II

Curated by ChEMBL


Assay Description
Inhibitory activity against opioid receptor sigma 1 in guinea pig cerebral cortex using [3H]-(+)-pentazocine as radio ligand at pH 7.5 for 150 min at...


Bioorg Med Chem Lett 15: 4828-32 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.039
BindingDB Entry DOI: 10.7270/Q2TD9WW1
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50172883
PNG
((S)-2-{3-[4-(2-Hydroxy-ethyl)-piperazin-1-yl]-prop...)
Show SMILES OCCN1CCN(CCCn2c(O)c3Cc4ccccc4Cn3c2=O)CC1
Show InChI InChI=1S/C20H28N4O3/c25-13-12-22-10-8-21(9-11-22)6-3-7-23-19(26)18-14-16-4-1-2-5-17(16)15-24(18)20(23)27/h1-2,4-5,25-26H,3,6-15H2
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n/an/a>100n/an/an/an/a7.5n/a



Université de Lille II

Curated by ChEMBL


Assay Description
Inhibitory activity against opioid receptor sigma 1 in guinea pig cerebral cortex using [3H]-(+)-pentazocine as radio ligand at pH 7.5 for 150 min at...


Bioorg Med Chem Lett 15: 4828-32 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.039
BindingDB Entry DOI: 10.7270/Q2TD9WW1
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50172896
PNG
((S)-2-[2-(4-Methyl-piperazin-1-yl)-ethyl]-10,10a-d...)
Show SMILES CN1CCN(CCn2c(O)c3Cc4ccccc4Cn3c2=O)CC1
Show InChI InChI=1S/C18H24N4O2/c1-19-6-8-20(9-7-19)10-11-21-17(23)16-12-14-4-2-3-5-15(14)13-22(16)18(21)24/h2-5,23H,6-13H2,1H3
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n/an/a>100n/an/an/an/a7.5n/a



Université de Lille II

Curated by ChEMBL


Assay Description
Inhibitory activity against opioid receptor sigma 1 in guinea pig cerebral cortex using [3H]-(+)-pentazocine as radio ligand at pH 7.5 for 150 min at...


Bioorg Med Chem Lett 15: 4828-32 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.039
BindingDB Entry DOI: 10.7270/Q2TD9WW1
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50172892
PNG
((S)-2-[3-(Methyl-phenyl-amino)-propyl]-10,10a-dihy...)
Show SMILES CN(CCCn1c(O)c2Cc3ccccc3Cn2c1=O)c1ccccc1
Show InChI InChI=1S/C21H23N3O2/c1-22(18-10-3-2-4-11-18)12-7-13-23-20(25)19-14-16-8-5-6-9-17(16)15-24(19)21(23)26/h2-6,8-11,25H,7,12-15H2,1H3
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n/an/a>100n/an/an/an/a7.5n/a



Université de Lille II

Curated by ChEMBL


Assay Description
Inhibitory activity against opioid receptor sigma 1 in guinea pig cerebral cortex using [3H]-(+)-pentazocine as radio ligand at pH 7.5 for 150 min at...


Bioorg Med Chem Lett 15: 4828-32 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.039
BindingDB Entry DOI: 10.7270/Q2TD9WW1
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50172878
PNG
((S)-2-{3-[4-(3-Dimethylamino-propyl)-piperazin-1-y...)
Show SMILES CN(C)CCCN1CCN(CCCn2c(O)c3Cc4ccccc4Cn3c2=O)CC1
Show InChI InChI=1S/C23H35N5O2/c1-24(2)9-5-10-25-13-15-26(16-14-25)11-6-12-27-22(29)21-17-19-7-3-4-8-20(19)18-28(21)23(27)30/h3-4,7-8,29H,5-6,9-18H2,1-2H3
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n/an/a>100n/an/an/an/a7.5n/a



Université de Lille II

Curated by ChEMBL


Assay Description
Inhibitory activity against opioid receptor sigma 1 in guinea pig cerebral cortex using [3H]-(+)-pentazocine as radio ligand at pH 7.5 for 150 min at...


Bioorg Med Chem Lett 15: 4828-32 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.039
BindingDB Entry DOI: 10.7270/Q2TD9WW1
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50172882
PNG
(2-{Benzyl-[3-((S)-1,3-dioxo-1,5,10,10a-tetrahydro-...)
Show SMILES Oc1c2Cc3ccccc3Cn2c(=O)n1CCCN(Cc1ccccc1)c1nccn1C=O
Show InChI InChI=1S/C25H25N5O3/c31-18-28-14-11-26-24(28)27(16-19-7-2-1-3-8-19)12-6-13-29-23(32)22-15-20-9-4-5-10-21(20)17-30(22)25(29)33/h1-5,7-11,14,18,32H,6,12-13,15-17H2
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n/an/a>100n/an/an/an/a7.522



Université de Lille II

Curated by ChEMBL


Assay Description
Inhibitory activity against Opioid receptor sigma 1 in guinea pig cerebral cortex using [3H]-(+)-pentazocine as radio ligand at pH 7.5 for 150 min at...


Bioorg Med Chem Lett 15: 4828-32 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.039
BindingDB Entry DOI: 10.7270/Q2TD9WW1
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50172895
PNG
((S)-2-[3-(4-Methyl-piperazin-1-yl)-propyl]-10,10a-...)
Show SMILES CN1CCN(CCCn2c(O)c3Cc4ccccc4Cn3c2=O)CC1
Show InChI InChI=1S/C19H26N4O2/c1-20-9-11-21(12-10-20)7-4-8-22-18(24)17-13-15-5-2-3-6-16(15)14-23(17)19(22)25/h2-3,5-6,24H,4,7-14H2,1H3
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n/an/a>100n/an/an/an/a7.5n/a



Université de Lille II

Curated by ChEMBL


Assay Description
Inhibitory activity against opioid receptor sigma 1 in guinea pig cerebral cortex using [3H]-(+)-pentazocine as radio ligand at pH 7.5 for 150 min at...


Bioorg Med Chem Lett 15: 4828-32 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.039
BindingDB Entry DOI: 10.7270/Q2TD9WW1
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50172894
PNG
(2-{4-[2-((S)-1,3-Dioxo-1,5,10,10a-tetrahydro-imida...)
Show SMILES CC(C)NC(=O)CN1CCN(CCn2c(O)c3Cc4ccccc4Cn3c2=O)CC1
Show InChI InChI=1S/C22H31N5O3/c1-16(2)23-20(28)15-25-9-7-24(8-10-25)11-12-26-21(29)19-13-17-5-3-4-6-18(17)14-27(19)22(26)30/h3-6,16,29H,7-15H2,1-2H3,(H,23,28)
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n/an/a>100n/an/an/an/a7.5n/a



Université de Lille II

Curated by ChEMBL


Assay Description
Inhibitory activity against opioid receptor sigma 1 in guinea pig cerebral cortex using [3H]-(+)-pentazocine as radio ligand at pH 7.5 for 150 min at...


Bioorg Med Chem Lett 15: 4828-32 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.039
BindingDB Entry DOI: 10.7270/Q2TD9WW1
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50172890
PNG
((S)-2-{2-[4-(3-Dimethylamino-propyl)-piperazin-1-y...)
Show SMILES CN(C)CCCN1CCN(CCn2c(O)c3Cc4ccccc4Cn3c2=O)CC1
Show InChI InChI=1S/C22H33N5O2/c1-23(2)8-5-9-24-10-12-25(13-11-24)14-15-26-21(28)20-16-18-6-3-4-7-19(18)17-27(20)22(26)29/h3-4,6-7,28H,5,8-17H2,1-2H3
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n/an/a>1.00E+3n/an/an/an/a7.5n/a



Université de Lille II

Curated by ChEMBL


Assay Description
Inhibitory activity against opioid receptor sigma 1 in guinea pig cerebral cortex using [3H]-(+)-pentazocine as radio ligand at pH 7.5 for 150 min at...


Bioorg Med Chem Lett 15: 4828-32 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.039
BindingDB Entry DOI: 10.7270/Q2TD9WW1
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50172916
PNG
((S)-2-(2-Piperidin-1-yl-ethyl)-tetrahydro-imidazo[...)
Show SMILES Oc1c2CCCCn2c(=O)n1CCN1CCCCC1
Show InChI InChI=1S/C14H23N3O2/c18-13-12-6-2-5-9-16(12)14(19)17(13)11-10-15-7-3-1-4-8-15/h18H,1-11H2
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n/an/a>1.00E+3n/an/an/an/an/an/a



Université de Lille II

Curated by ChEMBL


Assay Description
Inhibitory concentration against opioid receptor sigma 1 of guinea pig cerebral cortex using [3H]-(+)-pentazocine upon incubation for 150 minutes at ...


Bioorg Med Chem Lett 15: 4833-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.040
BindingDB Entry DOI: 10.7270/Q2PN9553
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50172917
PNG
((S)-7-Hydroxy-2-(2-piperidin-1-yl-ethyl)-10,10a-di...)
Show SMILES Oc1c2Cc3ccc(O)cc3Cn2c(=O)n1CCN1CCCCC1
Show InChI InChI=1S/C18H23N3O3/c22-15-5-4-13-11-16-17(23)20(9-8-19-6-2-1-3-7-19)18(24)21(16)12-14(13)10-15/h4-5,10,22-23H,1-3,6-9,11-12H2
PDB

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antibodypedia
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PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Université de Lille II

Curated by ChEMBL


Assay Description
Inhibitory concentration against opioid receptor sigma 1 of guinea pig cerebral cortex using [3H]-(+)-pentazocine upon incubation for 150 minutes at ...


Bioorg Med Chem Lett 15: 4833-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.040
BindingDB Entry DOI: 10.7270/Q2PN9553
More data for this
Ligand-Target Pair