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Compile Data Set for Download or QSAR

Found 48 hits Enz. Inhib. hit(s) with all data for entry = 50036346   
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))
BDBM50032410
PNG
(3-Benzyl-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2,6-m...)
Show SMILES CC1C2Cc3ccc(O)cc3C1(C)CCN2Cc1ccccc1 |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
Show InChI InChI=1S/C21H25NO/c1-15-20-12-17-8-9-18(23)13-19(17)21(15,2)10-11-22(20)14-16-6-4-3-5-7-16/h3-9,13,15,20,23H,10-12,14H2,1-2H3
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0.670n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity measured on Sigma receptor type 1 from guinea pig brain membranes using [3H]pentazocine as radioligand.


J Med Chem 38: 2978-85 (1995)


BindingDB Entry DOI: 10.7270/Q2V988RP
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50032410
PNG
(3-Benzyl-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2,6-m...)
Show SMILES CC1C2Cc3ccc(O)cc3C1(C)CCN2Cc1ccccc1 |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
Show InChI InChI=1S/C21H25NO/c1-15-20-12-17-8-9-18(23)13-19(17)21(15,2)10-11-22(20)14-16-6-4-3-5-7-16/h3-9,13,15,20,23H,10-12,14H2,1-2H3
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0.670n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity measured on Sigma receptor type 1 from guinea pig brain membranes using [3H]pentazocine as radioligand.


J Med Chem 38: 2978-85 (1995)


BindingDB Entry DOI: 10.7270/Q2V988RP
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50032406
PNG
(3-Benzyl-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2,6-m...)
Show SMILES CC1C2Cc3ccc(N)cc3C1(C)CCN2Cc1ccccc1 |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
Show InChI InChI=1S/C21H26N2/c1-15-20-12-17-8-9-18(22)13-19(17)21(15,2)10-11-23(20)14-16-6-4-3-5-7-16/h3-9,13,15,20H,10-12,14,22H2,1-2H3
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1.5n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity measured on Sigma receptor type 1 from guinea pig brain membranes using [3H]pentazocine as radioligand.


J Med Chem 38: 2978-85 (1995)


BindingDB Entry DOI: 10.7270/Q2V988RP
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50032404
PNG
(6,11-Dimethyl-3-(3-methyl-but-2-enyl)-1,2,3,4,5,6-...)
Show SMILES [#6]-[#6]1-[#6]-2-[#6]-c3ccccc3C1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](\[#6])-[#6] |TLB:15:14:1:9.3.4,8:9:1:14.12.13|
Show InChI InChI=1S/C19H27N/c1-14(2)9-11-20-12-10-19(4)15(3)18(20)13-16-7-5-6-8-17(16)19/h5-9,15,18H,10-13H2,1-4H3
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1.57n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity measured on Sigma receptor type 1 from guinea pig brain membranes using [3H]pentazocine as radioligand.


J Med Chem 38: 2978-85 (1995)


BindingDB Entry DOI: 10.7270/Q2V988RP
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50032404
PNG
(6,11-Dimethyl-3-(3-methyl-but-2-enyl)-1,2,3,4,5,6-...)
Show SMILES [#6]-[#6]1-[#6]-2-[#6]-c3ccccc3C1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](\[#6])-[#6] |TLB:15:14:1:9.3.4,8:9:1:14.12.13|
Show InChI InChI=1S/C19H27N/c1-14(2)9-11-20-12-10-19(4)15(3)18(20)13-16-7-5-6-8-17(16)19/h5-9,15,18H,10-13H2,1-4H3
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1.60n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity measured on Sigma receptor type 1 from guinea pig brain membranes using [3H]pentazocine as radioligand.


J Med Chem 38: 2978-85 (1995)


BindingDB Entry DOI: 10.7270/Q2V988RP
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50032407
PNG
((3-Benzyl-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2,6-...)
Show SMILES CC1C2Cc3ccc(cc3C1(C)CCN2Cc1ccccc1)N(C)C |TLB:8:9:1:14.12.13,15:14:1:9.4.3|
Show InChI InChI=1S/C23H30N2/c1-17-22-14-19-10-11-20(24(3)4)15-21(19)23(17,2)12-13-25(22)16-18-8-6-5-7-9-18/h5-11,15,17,22H,12-14,16H2,1-4H3
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1.80n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity measured on Sigma receptor type 1 from guinea pig brain membranes using [3H]pentazocine as radioligand.


J Med Chem 38: 2978-85 (1995)


BindingDB Entry DOI: 10.7270/Q2V988RP
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50035131
PNG
((+)-(6R,11S)-6,11-dimethyl-3-(3-methyl-but-2-enyl)...)
Show SMILES [#6]-[#6@@H]1-[#6@@H]-2-[#6]-c3ccc(-[#8])cc3[C@@]1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](/[#6])-[#6] |r,TLB:16:15:10.4.3:1|
Show InChI InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3/t14-,18+,19+/m1/s1
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3.10n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity measured on Sigma receptor type 1 from guinea pig brain membranes using [3H]pentazocine as radioligand.


J Med Chem 38: 2978-85 (1995)


BindingDB Entry DOI: 10.7270/Q2V988RP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50032411
PNG
(8-Fluoro-6,11-dimethyl-3-(3-methyl-butyl)-1,2,3,4,...)
Show SMILES CC(C)CCN1CCC2(C)C(C)C1Cc1ccc(F)cc21 |TLB:4:5:10:20.14.13,THB:19:20:10:5.7.6|
Show InChI InChI=1S/C19H28FN/c1-13(2)7-9-21-10-8-19(4)14(3)18(21)11-15-5-6-16(20)12-17(15)19/h5-6,12-14,18H,7-11H2,1-4H3
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4.70n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity measured on Sigma receptor type 1 from guinea pig brain membranes using [3H]pentazocine as radioligand.


J Med Chem 38: 2978-85 (1995)


BindingDB Entry DOI: 10.7270/Q2V988RP
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50032408
PNG
(CHEMBL419343 | N-(3-Benzyl-6,11-dimethyl-1,2,3,4,5...)
Show SMILES CC1C2Cc3ccc(NC(C)=O)cc3C1(C)CCN2Cc1ccccc1 |TLB:19:18:1:13.4.3,12:13:1:18.16.17|
Show InChI InChI=1S/C23H28N2O/c1-16-22-13-19-9-10-20(24-17(2)26)14-21(19)23(16,3)11-12-25(22)15-18-7-5-4-6-8-18/h4-10,14,16,22H,11-13,15H2,1-3H3,(H,24,26)
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5.70n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity measured on Sigma receptor type 1 from guinea pig brain membranes using [3H]pentazocine as radioligand.


J Med Chem 38: 2978-85 (1995)


BindingDB Entry DOI: 10.7270/Q2V988RP
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50032416
PNG
(CHEMBL317354 | N-(3-Benzyl-6,11-dimethyl-1,2,3,4,5...)
Show SMILES CC1C2Cc3ccc(NS(C)(=O)=O)cc3C1(C)CCN2Cc1ccccc1 |TLB:20:19:1:14.4.3,13:14:1:19.17.18|
Show InChI InChI=1S/C22H28N2O2S/c1-16-21-13-18-9-10-19(23-27(3,25)26)14-20(18)22(16,2)11-12-24(21)15-17-7-5-4-6-8-17/h4-10,14,16,21,23H,11-13,15H2,1-3H3
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10n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity measured on Sigma receptor type 1 from guinea pig brain membranes using [3H]pentazocine as radioligand.


J Med Chem 38: 2978-85 (1995)


BindingDB Entry DOI: 10.7270/Q2V988RP
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50032412
PNG
(3-Benzyl-6,11-dimethyl-1,3,4,5,6,7-hexahydro-2H-2,...)
Show SMILES CC1C2Cc3ccc(O)cc3C1(C)CCN2Cc1ccccc1 |TLB:9:10:1:15.13.14,16:15:1:10.4.3|
Show InChI InChI=1S/C21H25NO/c1-15-20-12-17-8-9-18(23)13-19(17)21(15,2)10-11-22(20)14-16-6-4-3-5-7-16/h3-9,13,15,20,23H,10-12,14H2,1-2H3
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11n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity measured on Sigma receptor type 1 from guinea pig brain membranes using [3H]pentazocine as radioligand.


J Med Chem 38: 2978-85 (1995)


BindingDB Entry DOI: 10.7270/Q2V988RP
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50032405
PNG
(3-Benzyl-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2,6-m...)
Show SMILES CC1C2Cc3ccccc3C1(C)CCN2Cc1ccccc1 |TLB:15:14:1:9.3.4,8:9:1:14.12.13|
Show InChI InChI=1S/C21H25N/c1-16-20-14-18-10-6-7-11-19(18)21(16,2)12-13-22(20)15-17-8-4-3-5-9-17/h3-11,16,20H,12-15H2,1-2H3
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18.4n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity measured on Sigma receptor type 1 from guinea pig brain membranes using [3H]pentazocine as radioligand.


J Med Chem 38: 2978-85 (1995)


BindingDB Entry DOI: 10.7270/Q2V988RP
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50032405
PNG
(3-Benzyl-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2,6-m...)
Show SMILES CC1C2Cc3ccccc3C1(C)CCN2Cc1ccccc1 |TLB:15:14:1:9.3.4,8:9:1:14.12.13|
Show InChI InChI=1S/C21H25N/c1-16-20-14-18-10-6-7-11-19(18)21(16,2)12-13-22(20)15-17-8-4-3-5-9-17/h3-11,16,20H,12-15H2,1-2H3
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18.4n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity measured on Sigma receptor type 1 from guinea pig brain membranes using [3H]pentazocine as radioligand.


J Med Chem 38: 2978-85 (1995)


BindingDB Entry DOI: 10.7270/Q2V988RP
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50032417
PNG
(3-Benzyl-8-bromo-6,11-dimethyl-1,2,3,4,5,6-hexahyd...)
Show SMILES CC1C2Cc3ccc(Br)cc3C1(C)CCN2Cc1ccccc1 |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
Show InChI InChI=1S/C21H24BrN/c1-15-20-12-17-8-9-18(22)13-19(17)21(15,2)10-11-23(20)14-16-6-4-3-5-7-16/h3-9,13,15,20H,10-12,14H2,1-2H3
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19n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity measured on Sigma receptor type 1 from guinea pig brain membranes using [3H]pentazocine as radioligand.


J Med Chem 38: 2978-85 (1995)


BindingDB Entry DOI: 10.7270/Q2V988RP
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50032401
PNG
(3-Benzyl-8-fluoro-6,11-dimethyl-1,2,3,4,5,6-hexahy...)
Show SMILES CC1C2Cc3ccc(F)cc3C1(C)CCN2Cc1ccccc1 |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
Show InChI InChI=1S/C21H24FN/c1-15-20-12-17-8-9-18(22)13-19(17)21(15,2)10-11-23(20)14-16-6-4-3-5-7-16/h3-9,13,15,20H,10-12,14H2,1-2H3
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19.6n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity measured on Sigma receptor type 1 from guinea pig brain membranes using [3H]pentazocine as radioligand.


J Med Chem 38: 2978-85 (1995)


BindingDB Entry DOI: 10.7270/Q2V988RP
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50032401
PNG
(3-Benzyl-8-fluoro-6,11-dimethyl-1,2,3,4,5,6-hexahy...)
Show SMILES CC1C2Cc3ccc(F)cc3C1(C)CCN2Cc1ccccc1 |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
Show InChI InChI=1S/C21H24FN/c1-15-20-12-17-8-9-18(22)13-19(17)21(15,2)10-11-23(20)14-16-6-4-3-5-7-16/h3-9,13,15,20H,10-12,14H2,1-2H3
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20n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity measured on Sigma receptor type 1 from guinea pig brain membranes using [3H]pentazocine as radioligand.


J Med Chem 38: 2978-85 (1995)


BindingDB Entry DOI: 10.7270/Q2V988RP
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50032409
PNG
(8-Fluoro-6,11-dimethyl-3-(3-methyl-but-2-enyl)-1,2...)
Show SMILES [#6]-[#6]1-[#6]-2-[#6]-c3ccc(F)cc3C1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](/[#6])-[#6] |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
Show InChI InChI=1S/C19H26FN/c1-13(2)7-9-21-10-8-19(4)14(3)18(21)11-15-5-6-16(20)12-17(15)19/h5-7,12,14,18H,8-11H2,1-4H3
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30.5n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity measured on Sigma receptor type 1 from guinea pig brain membranes using [3H]pentazocine as radioligand.


J Med Chem 38: 2978-85 (1995)


BindingDB Entry DOI: 10.7270/Q2V988RP
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50032409
PNG
(8-Fluoro-6,11-dimethyl-3-(3-methyl-but-2-enyl)-1,2...)
Show SMILES [#6]-[#6]1-[#6]-2-[#6]-c3ccc(F)cc3C1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](/[#6])-[#6] |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
Show InChI InChI=1S/C19H26FN/c1-13(2)7-9-21-10-8-19(4)14(3)18(21)11-15-5-6-16(20)12-17(15)19/h5-7,12,14,18H,8-11H2,1-4H3
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31n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity measured on Sigma receptor type 1 from guinea pig brain membranes using [3H]pentazocine as radioligand.


J Med Chem 38: 2978-85 (1995)


BindingDB Entry DOI: 10.7270/Q2V988RP
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50407300
PNG
(CHEMBL397705)
Show SMILES [#6]-[#6@@H]1-[#6@H]-2-[#6]-c3ccc(-[#8])cc3[C@]1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](/[#6])-[#6] |r,TLB:16:15:1:10.4.3|
Show InChI InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3/t14-,18-,19-/m1/s1
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37n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity at Sigma receptor type 2 on rat liver membranes receptor by [3H]DTG displacement.


J Med Chem 38: 2978-85 (1995)


BindingDB Entry DOI: 10.7270/Q2V988RP
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50032415
PNG
(3-Benzyl-8-chloro-6,11-dimethyl-1,2,3,4,5,6-hexahy...)
Show SMILES CC1C2Cc3ccc(Cl)cc3C1(C)CCN2Cc1ccccc1 |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
Show InChI InChI=1S/C21H24ClN/c1-15-20-12-17-8-9-18(22)13-19(17)21(15,2)10-11-23(20)14-16-6-4-3-5-7-16/h3-9,13,15,20H,10-12,14H2,1-2H3
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40n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity measured on Sigma receptor type 1 from guinea pig brain membranes using [3H]pentazocine as radioligand.


J Med Chem 38: 2978-85 (1995)


BindingDB Entry DOI: 10.7270/Q2V988RP
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50032415
PNG
(3-Benzyl-8-chloro-6,11-dimethyl-1,2,3,4,5,6-hexahy...)
Show SMILES CC1C2Cc3ccc(Cl)cc3C1(C)CCN2Cc1ccccc1 |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
Show InChI InChI=1S/C21H24ClN/c1-15-20-12-17-8-9-18(22)13-19(17)21(15,2)10-11-23(20)14-16-6-4-3-5-7-16/h3-9,13,15,20H,10-12,14H2,1-2H3
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40.1n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity measured on Sigma receptor type 1 from guinea pig brain membranes using [3H]pentazocine as radioligand.


J Med Chem 38: 2978-85 (1995)


BindingDB Entry DOI: 10.7270/Q2V988RP
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50032401
PNG
(3-Benzyl-8-fluoro-6,11-dimethyl-1,2,3,4,5,6-hexahy...)
Show SMILES CC1C2Cc3ccc(F)cc3C1(C)CCN2Cc1ccccc1 |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
Show InChI InChI=1S/C21H24FN/c1-15-20-12-17-8-9-18(22)13-19(17)21(15,2)10-11-23(20)14-16-6-4-3-5-7-16/h3-9,13,15,20H,10-12,14H2,1-2H3
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43n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity at Sigma receptor type 2 on rat liver membranes receptor by [3H]DTG displacement.


J Med Chem 38: 2978-85 (1995)


BindingDB Entry DOI: 10.7270/Q2V988RP
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50032401
PNG
(3-Benzyl-8-fluoro-6,11-dimethyl-1,2,3,4,5,6-hexahy...)
Show SMILES CC1C2Cc3ccc(F)cc3C1(C)CCN2Cc1ccccc1 |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
Show InChI InChI=1S/C21H24FN/c1-15-20-12-17-8-9-18(22)13-19(17)21(15,2)10-11-23(20)14-16-6-4-3-5-7-16/h3-9,13,15,20H,10-12,14H2,1-2H3
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43n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity at Sigma receptor type 2 on rat liver membranes receptor by [3H]DTG displacement.


J Med Chem 38: 2978-85 (1995)


BindingDB Entry DOI: 10.7270/Q2V988RP
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50032409
PNG
(8-Fluoro-6,11-dimethyl-3-(3-methyl-but-2-enyl)-1,2...)
Show SMILES [#6]-[#6]1-[#6]-2-[#6]-c3ccc(F)cc3C1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](/[#6])-[#6] |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
Show InChI InChI=1S/C19H26FN/c1-13(2)7-9-21-10-8-19(4)14(3)18(21)11-15-5-6-16(20)12-17(15)19/h5-7,12,14,18H,8-11H2,1-4H3
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51.8n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity at Sigma receptor type 2 on rat liver membranes receptor by [3H]DTG displacement.


J Med Chem 38: 2978-85 (1995)


BindingDB Entry DOI: 10.7270/Q2V988RP
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50032409
PNG
(8-Fluoro-6,11-dimethyl-3-(3-methyl-but-2-enyl)-1,2...)
Show SMILES [#6]-[#6]1-[#6]-2-[#6]-c3ccc(F)cc3C1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](/[#6])-[#6] |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
Show InChI InChI=1S/C19H26FN/c1-13(2)7-9-21-10-8-19(4)14(3)18(21)11-15-5-6-16(20)12-17(15)19/h5-7,12,14,18H,8-11H2,1-4H3
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52n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity at Sigma receptor type 2 on rat liver membranes receptor by [3H]DTG displacement.


J Med Chem 38: 2978-85 (1995)


BindingDB Entry DOI: 10.7270/Q2V988RP
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50032411
PNG
(8-Fluoro-6,11-dimethyl-3-(3-methyl-butyl)-1,2,3,4,...)
Show SMILES CC(C)CCN1CCC2(C)C(C)C1Cc1ccc(F)cc21 |TLB:4:5:10:20.14.13,THB:19:20:10:5.7.6|
Show InChI InChI=1S/C19H28FN/c1-13(2)7-9-21-10-8-19(4)14(3)18(21)11-15-5-6-16(20)12-17(15)19/h5-6,12-14,18H,7-11H2,1-4H3
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56n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity at Sigma receptor type 2 on rat liver membranes receptor by [3H]DTG displacement.


J Med Chem 38: 2978-85 (1995)


BindingDB Entry DOI: 10.7270/Q2V988RP
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50009063
PNG
((+)3-Allyl-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2,6...)
Show SMILES CC1C2Cc3ccc(O)cc3C1(C)CCN2CC=C |TLB:9:10:1:15.13.14,16:15:1:10.4.3|
Show InChI InChI=1S/C17H23NO/c1-4-8-18-9-7-17(3)12(2)16(18)10-13-5-6-14(19)11-15(13)17/h4-6,11-12,16,19H,1,7-10H2,2-3H3
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60n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity measured on Sigma receptor type 1 from guinea pig brain membranes using [3H]pentazocine as radioligand.


J Med Chem 38: 2978-85 (1995)


BindingDB Entry DOI: 10.7270/Q2V988RP
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50032402
PNG
(3-Allyl-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2,6-me...)
Show SMILES CC1C2Cc3ccccc3C1(C)CCN2CC=C |TLB:15:14:1:9.3.4,8:9:1:14.12.13|
Show InChI InChI=1S/C17H23N/c1-4-10-18-11-9-17(3)13(2)16(18)12-14-7-5-6-8-15(14)17/h4-8,13,16H,1,9-12H2,2-3H3
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83n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity measured on Sigma receptor type 1 from guinea pig brain membranes using [3H]pentazocine as radioligand.


J Med Chem 38: 2978-85 (1995)


BindingDB Entry DOI: 10.7270/Q2V988RP
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50407300
PNG
(CHEMBL397705)
Show SMILES [#6]-[#6@@H]1-[#6@H]-2-[#6]-c3ccc(-[#8])cc3[C@]1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](/[#6])-[#6] |r,TLB:16:15:1:10.4.3|
Show InChI InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3/t14-,18-,19-/m1/s1
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83.1n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity measured on Sigma receptor type 1 from guinea pig brain membranes using [3H]pentazocine as radioligand.


J Med Chem 38: 2978-85 (1995)


BindingDB Entry DOI: 10.7270/Q2V988RP
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50032413
PNG
(3-Benzyl-8-iodo-6,11-dimethyl-1,2,3,4,5,6-hexahydr...)
Show SMILES CC1C2Cc3ccc(I)cc3C1(C)CCN2Cc1ccccc1 |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
Show InChI InChI=1S/C21H24IN/c1-15-20-12-17-8-9-18(22)13-19(17)21(15,2)10-11-23(20)14-16-6-4-3-5-7-16/h3-9,13,15,20H,10-12,14H2,1-2H3
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131n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity measured on Sigma receptor type 1 from guinea pig brain membranes using [3H]pentazocine as radioligand.


J Med Chem 38: 2978-85 (1995)


BindingDB Entry DOI: 10.7270/Q2V988RP
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50032407
PNG
((3-Benzyl-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2,6-...)
Show SMILES CC1C2Cc3ccc(cc3C1(C)CCN2Cc1ccccc1)N(C)C |TLB:8:9:1:14.12.13,15:14:1:9.4.3|
Show InChI InChI=1S/C23H30N2/c1-17-22-14-19-10-11-20(24(3)4)15-21(19)23(17,2)12-13-25(22)16-18-8-6-5-7-9-18/h5-11,15,17,22H,12-14,16H2,1-4H3
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258n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity at Sigma receptor type 2 on rat liver membranes receptor by [3H]DTG displacement.


J Med Chem 38: 2978-85 (1995)


BindingDB Entry DOI: 10.7270/Q2V988RP
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50032404
PNG
(6,11-Dimethyl-3-(3-methyl-but-2-enyl)-1,2,3,4,5,6-...)
Show SMILES [#6]-[#6]1-[#6]-2-[#6]-c3ccccc3C1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](\[#6])-[#6] |TLB:15:14:1:9.3.4,8:9:1:14.12.13|
Show InChI InChI=1S/C19H27N/c1-14(2)9-11-20-12-10-19(4)15(3)18(20)13-16-7-5-6-8-17(16)19/h5-9,15,18H,10-13H2,1-4H3
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295n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity at Sigma receptor type 2 on rat liver membranes receptor by [3H]DTG displacement.


J Med Chem 38: 2978-85 (1995)


BindingDB Entry DOI: 10.7270/Q2V988RP
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50032415
PNG
(3-Benzyl-8-chloro-6,11-dimethyl-1,2,3,4,5,6-hexahy...)
Show SMILES CC1C2Cc3ccc(Cl)cc3C1(C)CCN2Cc1ccccc1 |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
Show InChI InChI=1S/C21H24ClN/c1-15-20-12-17-8-9-18(22)13-19(17)21(15,2)10-11-23(20)14-16-6-4-3-5-7-16/h3-9,13,15,20H,10-12,14H2,1-2H3
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381n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity at Sigma receptor type 2 on rat liver membranes receptor by [3H]DTG displacement.


J Med Chem 38: 2978-85 (1995)


BindingDB Entry DOI: 10.7270/Q2V988RP
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50032415
PNG
(3-Benzyl-8-chloro-6,11-dimethyl-1,2,3,4,5,6-hexahy...)
Show SMILES CC1C2Cc3ccc(Cl)cc3C1(C)CCN2Cc1ccccc1 |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
Show InChI InChI=1S/C21H24ClN/c1-15-20-12-17-8-9-18(22)13-19(17)21(15,2)10-11-23(20)14-16-6-4-3-5-7-16/h3-9,13,15,20H,10-12,14H2,1-2H3
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381n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity at Sigma receptor type 2 on rat liver membranes receptor by [3H]DTG displacement.


J Med Chem 38: 2978-85 (1995)


BindingDB Entry DOI: 10.7270/Q2V988RP
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50032414
PNG
(3,6,11-Trimethyl-1,2,3,4,5,6-hexahydro-2,6-methano...)
Show SMILES CC1C2Cc3ccccc3C1(C)CCN2C |TLB:15:14:1:9.3.4,8:9:1:14.12.13|
Show InChI InChI=1S/C15H21N/c1-11-14-10-12-6-4-5-7-13(12)15(11,2)8-9-16(14)3/h4-7,11,14H,8-10H2,1-3H3
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482n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity measured on Sigma receptor type 1 from guinea pig brain membranes using [3H]pentazocine as radioligand.


J Med Chem 38: 2978-85 (1995)


BindingDB Entry DOI: 10.7270/Q2V988RP
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50032405
PNG
(3-Benzyl-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2,6-m...)
Show SMILES CC1C2Cc3ccccc3C1(C)CCN2Cc1ccccc1 |TLB:15:14:1:9.3.4,8:9:1:14.12.13|
Show InChI InChI=1S/C21H25N/c1-16-20-14-18-10-6-7-11-19(18)21(16,2)12-13-22(20)15-17-8-4-3-5-9-17/h3-11,16,20H,12-15H2,1-2H3
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487n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity at Sigma receptor type 2 on rat liver membranes receptor by [3H]DTG displacement.


J Med Chem 38: 2978-85 (1995)


BindingDB Entry DOI: 10.7270/Q2V988RP
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50032405
PNG
(3-Benzyl-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2,6-m...)
Show SMILES CC1C2Cc3ccccc3C1(C)CCN2Cc1ccccc1 |TLB:15:14:1:9.3.4,8:9:1:14.12.13|
Show InChI InChI=1S/C21H25N/c1-16-20-14-18-10-6-7-11-19(18)21(16,2)12-13-22(20)15-17-8-4-3-5-9-17/h3-11,16,20H,12-15H2,1-2H3
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487n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity at Sigma receptor type 2 on rat liver membranes receptor by [3H]DTG displacement.


J Med Chem 38: 2978-85 (1995)


BindingDB Entry DOI: 10.7270/Q2V988RP
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50032417
PNG
(3-Benzyl-8-bromo-6,11-dimethyl-1,2,3,4,5,6-hexahyd...)
Show SMILES CC1C2Cc3ccc(Br)cc3C1(C)CCN2Cc1ccccc1 |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
Show InChI InChI=1S/C21H24BrN/c1-15-20-12-17-8-9-18(22)13-19(17)21(15,2)10-11-23(20)14-16-6-4-3-5-7-16/h3-9,13,15,20H,10-12,14H2,1-2H3
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501n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity at Sigma receptor type 2 on rat liver membranes receptor by [3H]DTG displacement.


J Med Chem 38: 2978-85 (1995)


BindingDB Entry DOI: 10.7270/Q2V988RP
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50032412
PNG
(3-Benzyl-6,11-dimethyl-1,3,4,5,6,7-hexahydro-2H-2,...)
Show SMILES CC1C2Cc3ccc(O)cc3C1(C)CCN2Cc1ccccc1 |TLB:9:10:1:15.13.14,16:15:1:10.4.3|
Show InChI InChI=1S/C21H25NO/c1-15-20-12-17-8-9-18(23)13-19(17)21(15,2)10-11-22(20)14-16-6-4-3-5-7-16/h3-9,13,15,20,23H,10-12,14H2,1-2H3
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691n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity at Sigma receptor type 2 on rat liver membranes receptor by [3H]DTG displacement.


J Med Chem 38: 2978-85 (1995)


BindingDB Entry DOI: 10.7270/Q2V988RP
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50032406
PNG
(3-Benzyl-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2,6-m...)
Show SMILES CC1C2Cc3ccc(N)cc3C1(C)CCN2Cc1ccccc1 |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
Show InChI InChI=1S/C21H26N2/c1-15-20-12-17-8-9-18(22)13-19(17)21(15,2)10-11-23(20)14-16-6-4-3-5-7-16/h3-9,13,15,20H,10-12,14,22H2,1-2H3
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832n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity at Sigma receptor type 2 on rat liver membranes receptor by [3H]DTG displacement.


J Med Chem 38: 2978-85 (1995)


BindingDB Entry DOI: 10.7270/Q2V988RP
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50032408
PNG
(CHEMBL419343 | N-(3-Benzyl-6,11-dimethyl-1,2,3,4,5...)
Show SMILES CC1C2Cc3ccc(NC(C)=O)cc3C1(C)CCN2Cc1ccccc1 |TLB:19:18:1:13.4.3,12:13:1:18.16.17|
Show InChI InChI=1S/C23H28N2O/c1-16-22-13-19-9-10-20(24-17(2)26)14-21(19)23(16,3)11-12-25(22)15-18-7-5-4-6-8-18/h4-10,14,16,22H,11-13,15H2,1-3H3,(H,24,26)
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1.41E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity at Sigma receptor type 2 on rat liver membranes receptor by [3H]DTG displacement.


J Med Chem 38: 2978-85 (1995)


BindingDB Entry DOI: 10.7270/Q2V988RP
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50035131
PNG
((+)-(6R,11S)-6,11-dimethyl-3-(3-methyl-but-2-enyl)...)
Show SMILES [#6]-[#6@@H]1-[#6@@H]-2-[#6]-c3ccc(-[#8])cc3[C@@]1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](/[#6])-[#6] |r,TLB:16:15:10.4.3:1|
Show InChI InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3/t14-,18+,19+/m1/s1
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1.54E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity at Sigma receptor type 2 on rat liver membranes receptor by [3H]DTG displacement.


J Med Chem 38: 2978-85 (1995)


BindingDB Entry DOI: 10.7270/Q2V988RP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50032410
PNG
(3-Benzyl-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2,6-m...)
Show SMILES CC1C2Cc3ccc(O)cc3C1(C)CCN2Cc1ccccc1 |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
Show InChI InChI=1S/C21H25NO/c1-15-20-12-17-8-9-18(23)13-19(17)21(15,2)10-11-22(20)14-16-6-4-3-5-7-16/h3-9,13,15,20,23H,10-12,14H2,1-2H3
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1.71E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity at Sigma receptor type 2 on rat liver membranes receptor by [3H]DTG displacement.


J Med Chem 38: 2978-85 (1995)


BindingDB Entry DOI: 10.7270/Q2V988RP
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50032410
PNG
(3-Benzyl-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2,6-m...)
Show SMILES CC1C2Cc3ccc(O)cc3C1(C)CCN2Cc1ccccc1 |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
Show InChI InChI=1S/C21H25NO/c1-15-20-12-17-8-9-18(23)13-19(17)21(15,2)10-11-22(20)14-16-6-4-3-5-7-16/h3-9,13,15,20,23H,10-12,14H2,1-2H3
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1.71E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity at Sigma receptor type 2 on rat liver membranes receptor by [3H]DTG displacement.


J Med Chem 38: 2978-85 (1995)


BindingDB Entry DOI: 10.7270/Q2V988RP
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50032416
PNG
(CHEMBL317354 | N-(3-Benzyl-6,11-dimethyl-1,2,3,4,5...)
Show SMILES CC1C2Cc3ccc(NS(C)(=O)=O)cc3C1(C)CCN2Cc1ccccc1 |TLB:20:19:1:14.4.3,13:14:1:19.17.18|
Show InChI InChI=1S/C22H28N2O2S/c1-16-21-13-18-9-10-19(23-27(3,25)26)14-20(18)22(16,2)11-12-24(21)15-17-7-5-4-6-8-17/h4-10,14,16,21,23H,11-13,15H2,1-3H3
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1.90E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity at Sigma receptor type 2 on rat liver membranes receptor by [3H]DTG displacement.


J Med Chem 38: 2978-85 (1995)


BindingDB Entry DOI: 10.7270/Q2V988RP
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50032413
PNG
(3-Benzyl-8-iodo-6,11-dimethyl-1,2,3,4,5,6-hexahydr...)
Show SMILES CC1C2Cc3ccc(I)cc3C1(C)CCN2Cc1ccccc1 |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
Show InChI InChI=1S/C21H24IN/c1-15-20-12-17-8-9-18(22)13-19(17)21(15,2)10-11-23(20)14-16-6-4-3-5-7-16/h3-9,13,15,20H,10-12,14H2,1-2H3
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2.04E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity at Sigma receptor type 2 on rat liver membranes receptor by [3H]DTG displacement.


J Med Chem 38: 2978-85 (1995)


BindingDB Entry DOI: 10.7270/Q2V988RP
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50367062
PNG
(METAZOCINE)
Show SMILES C[C@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2C |THB:16:15:1:4.10.3|
Show InChI InChI=1S/C15H21NO/c1-10-14-8-11-4-5-12(17)9-13(11)15(10,2)6-7-16(14)3/h4-5,9-10,14,17H,6-8H2,1-3H3/t10-,14-,15+/m0/s1
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antibodypedia
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2.10E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity measured on Sigma receptor type 1 from guinea pig brain membranes using [3H]pentazocine as radioligand.


J Med Chem 38: 2978-85 (1995)


BindingDB Entry DOI: 10.7270/Q2V988RP
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50009063
PNG
((+)3-Allyl-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2,6...)
Show SMILES CC1C2Cc3ccc(O)cc3C1(C)CCN2CC=C |TLB:9:10:1:15.13.14,16:15:1:10.4.3|
Show InChI InChI=1S/C17H23NO/c1-4-8-18-9-7-17(3)12(2)16(18)10-13-5-6-14(19)11-15(13)17/h4-6,11-12,16,19H,1,7-10H2,2-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity at Sigma receptor type 2 on rat liver membranes receptor by [3H]DTG displacement.


J Med Chem 38: 2978-85 (1995)


BindingDB Entry DOI: 10.7270/Q2V988RP
More data for this
Ligand-Target Pair