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Compile Data Set for Download or QSAR

Found 3820 hits Enz. Inhib. hit(s) with Target = 'Sigma opioid receptor'   
Target
(Institution)
LigandTarget
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
Opioid receptor


(Rattus norvegicus)
BDBM50398057
PNG
(CHEMBL2181924)
Show SMILES FCCCc1ccc2n(CCN3CCCCCC3)c(=O)sc2c1
Show InChI InChI=1S/C18H25FN2OS/c19-9-5-6-15-7-8-16-17(14-15)23-18(22)21(16)13-12-20-10-3-1-2-4-11-20/h7-8,14H,1-6,9-13H2
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0.00250n/an/an/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from Sigma1 receptor in rat liver homogenate


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


(Homo sapiens)
BDBM50170654
PNG
((+-)-cis-4-(3-(4-tert-butylphenyl)-2-methylpropyl)...)
Show SMILES CC(CN1C[C@H](C)O[C@H](C)C1)Cc1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C20H33NO/c1-15(12-21-13-16(2)22-17(3)14-21)11-18-7-9-19(10-8-18)20(4,5)6/h7-10,15-17H,11-14H2,1-6H3/t15?,16-,17+
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0.0100n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Affinity for sigma receptor type 1 of guinea pig using [3H]ifenprodil or (+)-[3H]pentazocine radioligand


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus)
BDBM50170654
PNG
((+-)-cis-4-(3-(4-tert-butylphenyl)-2-methylpropyl)...)
Show SMILES CC(CN1C[C@H](C)O[C@H](C)C1)Cc1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C20H33NO/c1-15(12-21-13-16(2)22-17(3)14-21)11-18-7-9-19(10-8-18)20(4,5)6/h7-10,15-17H,11-14H2,1-6H3/t15?,16-,17+
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0.0110n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-pentazocine from sigma 1 opioid receptor in rat liver homogenate by liquid scintillation counting


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


(Homo sapiens)
BDBM50145021
PNG
(1-Cyclohexyl-4-[4-(1,2,3,4-tetrahydro-naphthalen-1...)
Show SMILES C(CCN1CCN(CC1)C1CCCCC1)CC1CCCc2ccccc12
Show InChI InChI=1S/C24H38N2/c1-2-13-23(14-3-1)26-19-17-25(18-20-26)16-7-6-10-22-12-8-11-21-9-4-5-15-24(21)22/h4-5,9,15,22-23H,1-3,6-8,10-14,16-20H2
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0.0360n/an/an/an/an/an/an/an/a



Università di Bari

Curated by ChEMBL


Assay Description
In vitro binding afinity at opioid sigma-1 receptorin guinea pig brain membranes by (+)-[3H]-pentazocine displacement.


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


(Homo sapiens)
BDBM50170652
PNG
((2R,6S)-2,6-Dimethyl-4-tridecyl-morpholine | CHEMB...)
Show SMILES CCCCCCCCCCCCCN1C[C@H](C)O[C@H](C)C1
Show InChI InChI=1S/C19H39NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-20-16-18(2)21-19(3)17-20/h18-19H,4-17H2,1-3H3/t18-,19+
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0.0400n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Affinity for sigma receptor type 1 of guinea pig using [3H]ifenprodil or (+)-[3H]pentazocine radioligand


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


(Homo sapiens)
BDBM50038707
PNG
(1-(4-Nitro-phenyl)-cyclopentanecarboxylic acid 2-(...)
Show SMILES [O-][N+](=O)c1ccc(cc1)C1(CCCC1)C(=O)OCCN1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C25H30N2O4/c28-24(25(14-4-5-15-25)22-8-10-23(11-9-22)27(29)30)31-19-18-26-16-12-21(13-17-26)20-6-2-1-3-7-20/h1-3,6-11,21H,4-5,12-19H2
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0.0500n/an/an/an/an/an/an/an/a



Albany Molecular Research

Curated by ChEMBL


Assay Description
Affinity at sigma-1 site by inhibition of [3H](+)-pentazocine (PENT) binding in guinea pig brain


J Med Chem 37: 1964-70 (1994)

More data for this
Ligand-Target Pair
Sigma opioid receptor


(Homo sapiens)
BDBM50038707
PNG
(1-(4-Nitro-phenyl)-cyclopentanecarboxylic acid 2-(...)
Show SMILES [O-][N+](=O)c1ccc(cc1)C1(CCCC1)C(=O)OCCN1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C25H30N2O4/c28-24(25(14-4-5-15-25)22-8-10-23(11-9-22)27(29)30)31-19-18-26-16-12-21(13-17-26)20-6-2-1-3-7-20/h1-3,6-11,21H,4-5,12-19H2
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0.0500n/an/an/an/an/an/an/an/a



Albany Molecular Research

Curated by ChEMBL


Assay Description
Affinity at sigma-1 site by inhibition of [3H](+)-pentazocine (PENT) binding in guinea pig brain


J Med Chem 37: 1964-70 (1994)

More data for this
Ligand-Target Pair
Sigma opioid receptor


(Homo sapiens)
BDBM50415166
PNG
(CHEMBL578825)
Show SMILES O=C1CC(Sc2ccccc12)C1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C21H23NOS/c23-19-14-21(24-20-9-5-4-8-18(19)20)17-10-12-22(13-11-17)15-16-6-2-1-3-7-16/h1-9,17,21H,10-15H2
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0.0525n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in human Jurkat cell membrane


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


(Homo sapiens)
BDBM50415165
PNG
(CHEMBL570795)
Show SMILES C(N1CCC(CC1)C1CCc2ccccc2S1)c1ccccc1
Show InChI InChI=1S/C21H25NS/c1-2-6-17(7-3-1)16-22-14-12-19(13-15-22)21-11-10-18-8-4-5-9-20(18)23-21/h1-9,19,21H,10-16H2
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0.0575n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in human Jurkat cell membrane


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


(Homo sapiens)
BDBM50415164
PNG
(CHEMBL570529)
Show SMILES O=C1CC(Oc2ccccc12)C1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C21H23NO2/c23-19-14-21(24-20-9-5-4-8-18(19)20)17-10-12-22(13-11-17)15-16-6-2-1-3-7-16/h1-9,17,21H,10-15H2
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0.0661n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in human Jurkat cell membrane


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


(Homo sapiens)
BDBM50144508
PNG
(4-Methyl-1-(5-phenyl-pentyl)-piperidine | CHEMBL30...)
Show SMILES CC1CCN(CCCCCc2ccccc2)CC1
Show InChI InChI=1S/C17H27N/c1-16-11-14-18(15-12-16)13-7-3-6-10-17-8-4-2-5-9-17/h2,4-5,8-9,16H,3,6-7,10-15H2,1H3
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0.0700n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity for Sigma receptor type 1,using [3H]-(+)-pentazocine as radioligand


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


(Homo sapiens)
BDBM50170654
PNG
((+-)-cis-4-(3-(4-tert-butylphenyl)-2-methylpropyl)...)
Show SMILES CC(CN1C[C@H](C)O[C@H](C)C1)Cc1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C20H33NO/c1-15(12-21-13-16(2)22-17(3)14-21)11-18-7-9-19(10-8-18)20(4,5)6/h7-10,15-17H,11-14H2,1-6H3/t15?,16-,17+
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0.0800n/an/an/an/an/an/an/an/a



University of Wisconsin School of Medicine and Public Health

Curated by ChEMBL


Assay Description
Displacement of (+)-[3H]pentazocine from sigma 1 receptor expressed in Saccharomyces cerevisiae WA0


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


(Homo sapiens)
BDBM50415163
PNG
(CHEMBL571418)
Show SMILES C(N1CCC2(CC1)OCc1ccccc1S2)c1ccccc1
Show InChI InChI=1S/C19H21NOS/c1-2-6-16(7-3-1)14-20-12-10-19(11-13-20)21-15-17-8-4-5-9-18(17)22-19/h1-9H,10-15H2
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0.0891n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in human Jurkat cell membrane


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


(Homo sapiens)
BDBM50144518
PNG
(1-(5,5-Diphenyl-pentyl)-4-methyl-piperidine | CHEM...)
Show SMILES CC1CCN(CCCCC(c2ccccc2)c2ccccc2)CC1
Show InChI InChI=1S/C23H31N/c1-20-15-18-24(19-16-20)17-9-8-14-23(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-7,10-13,20,23H,8-9,14-19H2,1H3
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0.0900n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity for Sigma receptor type 1,using [3H]-(+)-pentazocine as radioligand


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


(Homo sapiens)
BDBM50415162
PNG
(CHEMBL572294)
Show SMILES C(N1CCC2(CC1)OCc1ccccc1O2)c1ccccc1
Show InChI InChI=1S/C19H21NO2/c1-2-6-16(7-3-1)14-20-12-10-19(11-13-20)21-15-17-8-4-5-9-18(17)22-19/h1-9H,10-15H2
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0.0977n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in human Jurkat cell membrane


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus)
BDBM50248926
PNG
(3-((1-(4-chlorobenzyl)piperidin-4-yl)methyl)benzo[...)
Show SMILES Clc1ccc(CN2CCC(Cn3c4ccccc4oc3=O)CC2)cc1
Show InChI InChI=1S/C20H21ClN2O2/c21-17-7-5-15(6-8-17)13-22-11-9-16(10-12-22)14-23-18-3-1-2-4-19(18)25-20(23)24/h1-8,16H,9-14H2
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0.0980n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in rat liver membrane by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus)
BDBM50248926
PNG
(3-((1-(4-chlorobenzyl)piperidin-4-yl)methyl)benzo[...)
Show SMILES Clc1ccc(CN2CCC(Cn3c4ccccc4oc3=O)CC2)cc1
Show InChI InChI=1S/C20H21ClN2O2/c21-17-7-5-15(6-8-17)13-22-11-9-16(10-12-22)14-23-18-3-1-2-4-19(18)25-20(23)24/h1-8,16H,9-14H2
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0.0980n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-pentazocine from sigma 1 opioid receptor in rat liver homogenate by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus)
BDBM50248926
PNG
(3-((1-(4-chlorobenzyl)piperidin-4-yl)methyl)benzo[...)
Show SMILES Clc1ccc(CN2CCC(Cn3c4ccccc4oc3=O)CC2)cc1
Show InChI InChI=1S/C20H21ClN2O2/c21-17-7-5-15(6-8-17)13-22-11-9-16(10-12-22)14-23-18-3-1-2-4-19(18)25-20(23)24/h1-8,16H,9-14H2
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0.100n/an/an/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 membrane


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


(Homo sapiens)
BDBM50415161
PNG
(CHEMBL570067)
Show SMILES O=C1CC(Oc2ccccc12)C1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C22H25NO2/c24-20-16-22(25-21-9-5-4-8-19(20)21)18-11-14-23(15-12-18)13-10-17-6-2-1-3-7-17/h1-9,18,22H,10-16H2
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0.110n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in human Jurkat cell membrane


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus)
BDBM50374600
PNG
(CHEMBL272899)
Show SMILES CCCc1ccc2n(CCN3CCCCCC3)c(=O)sc2c1
Show InChI InChI=1S/C18H26N2OS/c1-2-7-15-8-9-16-17(14-15)22-18(21)20(16)13-12-19-10-5-3-4-6-11-19/h8-9,14H,2-7,10-13H2,1H3
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0.120n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by PDSP Ki Database


Assay Description
Displacement of [3H](+)-pentazocine from opioid sigma1 receptor in rat brain homogenate


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


(Homo sapiens)
BDBM50144512
PNG
(1-(5,5-Diphenyl-pent-4-enyl)-4-methyl-piperidine |...)
Show SMILES CC1CCN(CCCC=C(c2ccccc2)c2ccccc2)CC1
Show InChI InChI=1S/C23H29N/c1-20-15-18-24(19-16-20)17-9-8-14-23(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-7,10-14,20H,8-9,15-19H2,1H3
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0.130n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity for Sigma receptor type 1,using [3H]-(+)-pentazocine as radioligand


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


(Homo sapiens)
BDBM50065136
PNG
(CHEMBL81455 | N-(2-Azepan-1-yl-ethyl)-4-iodo-N-met...)
Show SMILES CN(CCN1CCCCCC1)S(=O)(=O)c1ccc(I)cc1
Show InChI InChI=1S/C15H23IN2O2S/c1-17(12-13-18-10-4-2-3-5-11-18)21(19,20)15-8-6-14(16)7-9-15/h6-9H,2-5,10-13H2,1H3
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0.140n/an/an/an/an/an/an/an/a



The George Washington University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-(+)-pentazocine binding to sigma-1 receptor in guinea pig brain membranes


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


(Homo sapiens)
BDBM50041259
PNG
(CHEMBL19355 | Phenethyl-(5-phenyl-pentyl)-amine)
Show SMILES C(CCNCCc1ccccc1)CCc1ccccc1
Show InChI InChI=1S/C19H25N/c1-4-10-18(11-5-1)12-8-3-9-16-20-17-15-19-13-6-2-7-14-19/h1-2,4-7,10-11,13-14,20H,3,8-9,12,15-17H2
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0.170n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity for Sigma receptor type 1,using [3H]-(+)-pentazocine as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus)
BDBM50000066
PNG
((2-Azepan-1-yl-ethyl)-[2-(3,4-dichloro-phenyl)-eth...)
Show SMILES CN(CCN1CCCCCC1)CCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H26Cl2N2/c1-20(12-13-21-9-4-2-3-5-10-21)11-8-15-6-7-16(18)17(19)14-15/h6-7,14H,2-5,8-13H2,1H3
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PubMed
0.170n/an/an/an/an/an/an/an/a



University of Illinois at Chicago 60607-7061

Curated by ChEMBL


Assay Description
Inhibition of [3H]-NANM binding to sigma receptor obtained from tissue homogenate preparation of fresh whole rat brain minus cerebellum


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


(Homo sapiens)
BDBM50041259
PNG
(CHEMBL19355 | Phenethyl-(5-phenyl-pentyl)-amine)
Show SMILES C(CCNCCc1ccccc1)CCc1ccccc1
Show InChI InChI=1S/C19H25N/c1-4-10-18(11-5-1)12-8-3-9-16-20-17-15-19-13-6-2-7-14-19/h1-2,4-7,10-11,13-14,20H,3,8-9,12,15-17H2
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0.170n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against sigma-1 receptor of guinea pig brain membranes using [3H]-pentazocine as radioligand


J Med Chem 37: 1214-9 (1994)

More data for this
Ligand-Target Pair
Sigma opioid receptor


(Homo sapiens)
BDBM50000066
PNG
((2-Azepan-1-yl-ethyl)-[2-(3,4-dichloro-phenyl)-eth...)
Show SMILES CN(CCN1CCCCCC1)CCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H26Cl2N2/c1-20(12-13-21-9-4-2-3-5-10-21)11-8-15-6-7-16(18)17(19)14-15/h6-7,14H,2-5,8-13H2,1H3
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0.170n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+) -3PPP from sigma receptor in guinea pig brain membranes


J Med Chem 35: 38-47 (1992)

More data for this
Ligand-Target Pair
Sigma opioid receptor


(Homo sapiens)
BDBM50065134
PNG
(CHEMBL309983 | N-(2-Azepan-1-yl-ethyl)-4-bromo-N-m...)
Show SMILES CN(CCN1CCCCCC1)S(=O)(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C15H23BrN2O2S/c1-17(12-13-18-10-4-2-3-5-11-18)21(19,20)15-8-6-14(16)7-9-15/h6-9H,2-5,10-13H2,1H3
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0.180n/an/an/an/an/an/an/an/a



The George Washington University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-(+)-pentazocine binding to sigma-1 receptor in guinea pig brain membranes


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


(Homo sapiens)
BDBM50041268
PNG
(Benzyl-methyl-(5-phenyl-pentyl)-amine | CHEMBL1931...)
Show SMILES CN(CCCCCc1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C19H25N/c1-20(17-19-14-7-3-8-15-19)16-10-4-9-13-18-11-5-2-6-12-18/h2-3,5-8,11-12,14-15H,4,9-10,13,16-17H2,1H3
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0.190n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against sigma-1 receptor of guinea pig brain membranes using [3H]-pentazocine as radioligand


J Med Chem 37: 1214-9 (1994)

More data for this
Ligand-Target Pair
Sigma opioid receptor


(Homo sapiens)
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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PubMed
0.200n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Affinity for sigma receptor type 1 of guinea pig using [3H]ifenprodil or (+)-[3H]pentazocine radioligand


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


(Homo sapiens)
BDBM50170636
PNG
(2-[4-(3-Dibenzo[b,f]azepin-5-yl-propyl)-piperazin-...)
Show SMILES OCCN1CCN(CCCN2c3ccccc3C=Cc3ccccc23)CC1
Show InChI InChI=1S/C23H29N3O/c27-19-18-25-16-14-24(15-17-25)12-5-13-26-22-8-3-1-6-20(22)10-11-21-7-2-4-9-23(21)26/h1-4,6-11,27H,5,12-19H2
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0.200n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Affinity for sigma receptor type 1 of guinea pig using [3H]ifenprodil or (+)-[3H]pentazocine radioligand


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


(Homo sapiens)
BDBM50415160
PNG
(CHEMBL571659)
Show SMILES O=C1CC2(CCN(Cc3ccccc3)CC2)Oc2ccccc12
Show InChI InChI=1S/C20H21NO2/c22-18-14-20(23-19-9-5-4-8-17(18)19)10-12-21(13-11-20)15-16-6-2-1-3-7-16/h1-9H,10-15H2
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0.209n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in human Jurkat cell membrane


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


(Homo sapiens)
BDBM50145029
PNG
(1-Cyclohexyl-4-(4-naphthalen-1-yl-butyl)-piperazin...)
Show SMILES C(CCc1cccc2ccccc12)CN1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C24H34N2/c1-2-13-23(14-3-1)26-19-17-25(18-20-26)16-7-6-10-22-12-8-11-21-9-4-5-15-24(21)22/h4-5,8-9,11-12,15,23H,1-3,6-7,10,13-14,16-20H2
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0.220n/an/an/an/an/an/an/an/a



Università di Bari

Curated by ChEMBL


Assay Description
In vitro binding afinity at opioid sigma-1 receptorin guinea pig brain membranes by (+)-[3H]-pentazocine displacement.


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


(Homo sapiens)
BDBM50041246
PNG
(CHEMBL19544 | Methyl-phenethyl-(5-phenyl-pentyl)-a...)
Show SMILES CN(CCCCCc1ccccc1)CCc1ccccc1
Show InChI InChI=1S/C20H27N/c1-21(18-16-20-14-7-3-8-15-20)17-10-4-9-13-19-11-5-2-6-12-19/h2-3,5-8,11-12,14-15H,4,9-10,13,16-18H2,1H3
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0.25n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against sigma-1 receptor of guinea pig brain membranes using [3H]-pentazocine as radioligand


J Med Chem 37: 1214-9 (1994)

More data for this
Ligand-Target Pair
Sigma opioid receptor


(Homo sapiens)
BDBM50041246
PNG
(CHEMBL19544 | Methyl-phenethyl-(5-phenyl-pentyl)-a...)
Show SMILES CN(CCCCCc1ccccc1)CCc1ccccc1
Show InChI InChI=1S/C20H27N/c1-21(18-16-20-14-7-3-8-15-20)17-10-4-9-13-19-11-5-2-6-12-19/h2-3,5-8,11-12,14-15H,4,9-10,13,16-18H2,1H3
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0.25n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity for Sigma receptor type 1,using [3H]-(+)-pentazocine as radioligand


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


(Homo sapiens)
BDBM50041277
PNG
((5-Cyclohexyl-pentyl)-dimethyl-amine | CHEMBL20036)
Show SMILES CN(C)CCCCCC1CCCCC1
Show InChI InChI=1S/C13H27N/c1-14(2)12-8-4-7-11-13-9-5-3-6-10-13/h13H,3-12H2,1-2H3
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0.260n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against sigma-1 receptor of guinea pig brain membranes using [3H]-pentazocine as radioligand


J Med Chem 37: 1214-9 (1994)

More data for this
Ligand-Target Pair
Sigma opioid receptor


(Homo sapiens)
BDBM50000068
PNG
(CHEMBL142700 | [2-(3,4-Dichloro-phenyl)-ethyl]-met...)
Show SMILES CN(CCN1CCCCC1)CCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H24Cl2N2/c1-19(11-12-20-8-3-2-4-9-20)10-7-14-5-6-15(17)16(18)13-14/h5-6,13H,2-4,7-12H2,1H3
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0.260n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+) -3PPP from sigma receptor in guinea pig brain membranes


J Med Chem 35: 38-47 (1992)

More data for this
Ligand-Target Pair
Sigma opioid receptor


(Homo sapiens)
BDBM50038717
PNG
(1-(4-Nitro-phenyl)-cyclopentanecarboxylic acid 3-(...)
Show SMILES [O-][N+](=O)c1ccc(cc1)C1(CCCC1)C(=O)OCCCN1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C26H32N2O4/c29-25(26(15-4-5-16-26)23-9-11-24(12-10-23)28(30)31)32-20-6-17-27-18-13-22(14-19-27)21-7-2-1-3-8-21/h1-3,7-12,22H,4-6,13-20H2
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0.270n/an/an/an/an/an/an/an/a



Albany Molecular Research

Curated by ChEMBL


Assay Description
Affinity at sigma-1 site by inhibition of [3H](+)-pentazocine (PENT) binding in guinea pig brain


J Med Chem 37: 1964-70 (1994)

More data for this
Ligand-Target Pair
Sigma opioid receptor


(Homo sapiens)
BDBM50041257
PNG
((5-Phenyl-pentyl)-(3-phenyl-propyl)-amine | CHEMBL...)
Show SMILES C(CCNCCCc1ccccc1)CCc1ccccc1
Show InChI InChI=1S/C20H27N/c1-4-11-19(12-5-1)15-8-3-9-17-21-18-10-16-20-13-6-2-7-14-20/h1-2,4-7,11-14,21H,3,8-10,15-18H2
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0.280n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against sigma-1 receptor of guinea pig brain membranes using [3H]-pentazocine as radioligand


J Med Chem 37: 1214-9 (1994)

More data for this
Ligand-Target Pair
Sigma opioid receptor


(Homo sapiens)
BDBM50041275
PNG
(CHEMBL20348 | Methyl-(5-phenyl-pentyl)-propyl-amin...)
Show SMILES CCCN(C)CCCCCc1ccccc1
Show InChI InChI=1S/C15H25N/c1-3-13-16(2)14-9-5-8-12-15-10-6-4-7-11-15/h4,6-7,10-11H,3,5,8-9,12-14H2,1-2H3
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0.290n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against sigma-1 receptor of guinea pig brain membranes using [3H]-pentazocine as radioligand


J Med Chem 37: 1214-9 (1994)

More data for this
Ligand-Target Pair
Sigma opioid receptor


(Homo sapiens)
BDBM50037480
PNG
((6R,11S)-6,11-Dimethyl-3-pentyl-1,2,3,4,5,6-hexahy...)
Show SMILES CCCCCN1CC[C@]2(C)[C@H](C)C1Cc1ccc(O)cc21
Show InChI InChI=1S/C19H29NO/c1-4-5-6-10-20-11-9-19(3)14(2)18(20)12-15-7-8-16(21)13-17(15)19/h7-8,13-14,18,21H,4-6,9-12H2,1-3H3/t14-,18?,19-/m1/s1
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0.290n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity against sigma receptor from guinea pig brain, using [3H](+)-3-PPP as radioligand.


J Med Chem 35: 2221-30 (1992)

More data for this
Ligand-Target Pair
Sigma opioid receptor


(Homo sapiens)
BDBM50159013
PNG
(3-(4-Benzyl-piperazin-1-ylmethyl)-3,4-dihydro-2H-n...)
Show SMILES O=C1CC(CN2CCN(Cc3ccccc3)CC2)Cc2ccccc12
Show InChI InChI=1S/C22H26N2O/c25-22-15-19(14-20-8-4-5-9-21(20)22)17-24-12-10-23(11-13-24)16-18-6-2-1-3-7-18/h1-9,19H,10-17H2
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0.300n/an/an/an/an/an/an/an/a



Universit£ di Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Inhibitory constant against sigma receptor type 1 using 3 nM [3H]pentazocine


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


(Homo sapiens)
BDBM50159021
PNG
(1-Benzyl-4-chroman-3-ylmethyl-piperazine | 1-benzy...)
Show SMILES C(C1COc2ccccc2C1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C21H26N2O/c1-2-6-18(7-3-1)15-22-10-12-23(13-11-22)16-19-14-20-8-4-5-9-21(20)24-17-19/h1-9,19H,10-17H2
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0.300n/an/an/an/an/an/an/an/a



Universit£ di Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Inhibitory constant against sigma receptor type 1 using 3 nM [3H]pentazocine


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


(Homo sapiens)
BDBM50159018
PNG
(1-Benzyl-4-chroman-2-ylmethyl-piperazine | 1-benzy...)
Show SMILES C(C1CCc2ccccc2O1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C21H26N2O/c1-2-6-18(7-3-1)16-22-12-14-23(15-13-22)17-20-11-10-19-8-4-5-9-21(19)24-20/h1-9,20H,10-17H2
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0.300n/an/an/an/an/an/an/an/a



Universit£ di Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Inhibitory constant against sigma receptor type 1 using 3 nM [3H]pentazocine


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


(Homo sapiens)
BDBM50000776
PNG
(1-[2-(3,4-Dichloro-phenyl)-ethyl]-4-propyl-piperaz...)
Show SMILES CCCN1CCN(CCc2ccc(Cl)c(Cl)c2)CC1
Show InChI InChI=1S/C15H22Cl2N2/c1-2-6-18-8-10-19(11-9-18)7-5-13-3-4-14(16)15(17)12-13/h3-4,12H,2,5-11H2,1H3
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0.310n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity against sigma receptor from guinea pig brain, using [3H](+)-3-PPP as radioligand.


J Med Chem 35: 2221-30 (1992)

More data for this
Ligand-Target Pair
Sigma opioid receptor


(Homo sapiens)
BDBM50145014
PNG
(1-Cyclohexyl-4-(5-methoxy-1,2,3,4-tetrahydro-napht...)
Show SMILES COc1cccc2C(CN3CCN(CC3)C3CCCCC3)CCCc12
Show InChI InChI=1S/C22H34N2O/c1-25-22-12-6-10-20-18(7-5-11-21(20)22)17-23-13-15-24(16-14-23)19-8-3-2-4-9-19/h6,10,12,18-19H,2-5,7-9,11,13-17H2,1H3
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0.310n/an/an/an/an/an/an/an/a



Università di Bari

Curated by ChEMBL


Assay Description
In vitro binding afinity at opioid sigma-1 receptorin guinea pig brain membranes by (+)-[3H]-pentazocine displacement.


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


(Homo sapiens)
BDBM50068455
PNG
(CHEMBL342809 | {4-Oxo-4-[4-(3-phenyl-propyl)-piper...)
Show SMILES CC(C)(C)OC(=O)NCCCC(=O)N1CCN(CCCc2ccccc2)CC1
Show InChI InChI=1S/C22H35N3O3/c1-22(2,3)28-21(27)23-13-7-12-20(26)25-17-15-24(16-18-25)14-8-11-19-9-5-4-6-10-19/h4-6,9-10H,7-8,11-18H2,1-3H3,(H,23,27)
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0.320n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity was tested against sigma-1 receptor in guinea brain membranes.


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


(Homo sapiens)
BDBM50041243
PNG
(Benzyl-(5-phenyl-pentyl)-amine | CHEMBL19315)
Show SMILES C(CCNCc1ccccc1)CCc1ccccc1
Show InChI InChI=1S/C18H23N/c1-4-10-17(11-5-1)12-8-3-9-15-19-16-18-13-6-2-7-14-18/h1-2,4-7,10-11,13-14,19H,3,8-9,12,15-16H2
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0.320n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against sigma-1 receptor of guinea pig brain membranes using [3H]-pentazocine as radioligand


J Med Chem 37: 1214-9 (1994)

More data for this
Ligand-Target Pair
Sigma opioid receptor


(Homo sapiens)
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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0.330n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Tested for [3H]-(+)-pentazocine binding to sigma-1 receptor in guinea pig brain membrane


J Med Chem 36: 3929-36 (1994)

More data for this
Ligand-Target Pair
Sigma opioid receptor


(Homo sapiens)
BDBM50128107
PNG
(1-[2-(4-Chloro-phenoxy)-1-methyl-ethyl]-4-methyl-p...)
Show SMILES C[C@@H](COc1ccc(Cl)cc1)N1CCC(C)CC1
Show InChI InChI=1S/C15H22ClNO/c1-12-7-9-17(10-8-12)13(2)11-18-15-5-3-14(16)4-6-15/h3-6,12-13H,7-11H2,1-2H3/t13-/m0/s1
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0.340n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Inhibition of [3H]pentazocine binding to Sigma receptor type 1 in guinea pig brain membrane without cerebellum


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


(Homo sapiens)
BDBM50000069
PNG
(CHEMBL20377 | [2-(3,4-Dichloro-phenyl)-ethyl]-meth...)
Show SMILES CN(CCN1CCCC1)CCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H22Cl2N2/c1-18(10-11-19-7-2-3-8-19)9-6-13-4-5-14(16)15(17)12-13/h4-5,12H,2-3,6-11H2,1H3
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0.340n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+) -3PPP from sigma receptor in guinea pig brain membranes


J Med Chem 35: 38-47 (1992)

More data for this
Ligand-Target Pair
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