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PubMed code 1848295

Compile data set for download or QSAR
Found 33 hits of Enzyme Inhibition Constant Data   
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


(HUMAN)
BDBM50368228
PNG
(CHEMBL1907650)
Show SMILES C[C@@H](Cc1ccccc1)N(C)CCCCCc1ccccc1
Show InChI InChI=1S/C21H29N/c1-19(18-21-15-8-4-9-16-21)22(2)17-11-5-10-14-20-12-6-3-7-13-20/h3-4,6-9,12-13,15-16,19H,5,10-11,14,17-18H2,1-2H3/t19-/m0/s1
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2.60n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards sigma opioid receptor in guinea pig cerebral homogenate using [3H]DTG as radioligand


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


(RAT)
BDBM50009049
PNG
((+/-)(1-Methyl-2-phenyl-ethyl)-(4-phenyl-butyl)-am...)
Show SMILES CC(Cc1ccccc1)NCCCCc1ccccc1
Show InChI InChI=1S/C19H25N/c1-17(16-19-13-6-3-7-14-19)20-15-9-8-12-18-10-4-2-5-11-18/h2-7,10-11,13-14,17,20H,8-9,12,15-16H2,1H3
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3.90n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards sigma opioid receptor was determined in rat cerebral homogenate using [3H]haloperidol as radioligand


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


(RAT)
BDBM50041245
PNG
(((S)-1-Methyl-2-phenyl-ethyl)-phenethyl-amine | CH...)
Show SMILES C[C@@H](Cc1ccccc1)NCCc1ccccc1
Show InChI InChI=1S/C17H21N/c1-15(14-17-10-6-3-7-11-17)18-13-12-16-8-4-2-5-9-16/h2-11,15,18H,12-14H2,1H3/t15-/m0/s1
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4.80n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards sigma opioid receptor was determined in rat cerebral homogenate using [3H]haloperidol as radioligand


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


(HUMAN)
BDBM50041276
PNG
(CHEMBL20302 | Methyl-((S)-1-methyl-2-phenyl-ethyl)...)
Show SMILES C[C@@H](Cc1ccccc1)N(C)CCc1ccccc1
Show InChI InChI=1S/C18H23N/c1-16(15-18-11-7-4-8-12-18)19(2)14-13-17-9-5-3-6-10-17/h3-12,16H,13-15H2,1-2H3/t16-/m0/s1
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4.80n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards sigma opioid receptor was determined in guinea pig cerebral homogenate using [3H]haloperidol as radioligand


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


(HUMAN)
BDBM50041266
PNG
(((S)-1-Methyl-2-phenyl-ethyl)-(5-phenyl-pentyl)-am...)
Show SMILES C[C@@H](Cc1ccccc1)NCCCCCc1ccccc1
Show InChI InChI=1S/C20H27N/c1-18(17-20-14-7-3-8-15-20)21-16-10-4-9-13-19-11-5-2-6-12-19/h2-3,5-8,11-12,14-15,18,21H,4,9-10,13,16-17H2,1H3/t18-/m0/s1
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6.30n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards sigma opioid receptor in guinea pig cerebral homogenate using [3H]DTG as radioligand


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


(HUMAN)
BDBM50041271
PNG
(((S)-1-Methyl-2-phenyl-ethyl)-(4-phenyl-butyl)-ami...)
Show SMILES C[C@@H](Cc1ccccc1)NCCCCc1ccccc1
Show InChI InChI=1S/C19H25N/c1-17(16-19-13-6-3-7-14-19)20-15-9-8-12-18-10-4-2-5-11-18/h2-7,10-11,13-14,17,20H,8-9,12,15-16H2,1H3/t17-/m0/s1
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6.60n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards sigma opioid receptor in guinea pig cerebral homogenate using [3H]DTG as radioligand


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


(HUMAN)
BDBM50041276
PNG
(CHEMBL20302 | Methyl-((S)-1-methyl-2-phenyl-ethyl)...)
Show SMILES C[C@@H](Cc1ccccc1)N(C)CCc1ccccc1
Show InChI InChI=1S/C18H23N/c1-16(15-18-11-7-4-8-12-18)19(2)14-13-17-9-5-3-6-10-17/h3-12,16H,13-15H2,1-2H3/t16-/m0/s1
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6.60n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards sigma opioid receptor in guinea pig cerebral homogenate using [3H]DTG as radioligand


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


(HUMAN)
BDBM50009049
PNG
((+/-)(1-Methyl-2-phenyl-ethyl)-(4-phenyl-butyl)-am...)
Show SMILES CC(Cc1ccccc1)NCCCCc1ccccc1
Show InChI InChI=1S/C19H25N/c1-17(16-19-13-6-3-7-14-19)20-15-9-8-12-18-10-4-2-5-11-18/h2-7,10-11,13-14,17,20H,8-9,12,15-16H2,1H3
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9.30n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards sigma opioid receptor in guinea pig cerebral homogenate using [3H]DTG as radioligand


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


(RAT)
BDBM50041279
PNG
(((R)-1-Methyl-2-phenyl-ethyl)-(3-phenyl-propyl)-am...)
Show SMILES C[C@H](Cc1ccccc1)NCCCc1ccccc1
Show InChI InChI=1S/C18H23N/c1-16(15-18-11-6-3-7-12-18)19-14-8-13-17-9-4-2-5-10-17/h2-7,9-12,16,19H,8,13-15H2,1H3/t16-/m1/s1
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14n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards sigma opioid receptor was determined in rat cerebral homogenate using [3H]haloperidol as radioligand


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


(RAT)
BDBM50041276
PNG
(CHEMBL20302 | Methyl-((S)-1-methyl-2-phenyl-ethyl)...)
Show SMILES C[C@@H](Cc1ccccc1)N(C)CCc1ccccc1
Show InChI InChI=1S/C18H23N/c1-16(15-18-11-7-4-8-12-18)19(2)14-13-17-9-5-3-6-10-17/h3-12,16H,13-15H2,1-2H3/t16-/m0/s1
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16n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards sigma opioid receptor was determined in rat cerebral homogenate using [3H]haloperidol as radioligand


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


(HUMAN)
BDBM50041279
PNG
(((R)-1-Methyl-2-phenyl-ethyl)-(3-phenyl-propyl)-am...)
Show SMILES C[C@H](Cc1ccccc1)NCCCc1ccccc1
Show InChI InChI=1S/C18H23N/c1-16(15-18-11-6-3-7-12-18)19-14-8-13-17-9-4-2-5-10-17/h2-7,9-12,16,19H,8,13-15H2,1H3/t16-/m1/s1
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17n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards sigma opioid receptor was determined in guinea pig cerebral homogenate using [3H]haloperidol as radioligand


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


(HUMAN)
BDBM50041261
PNG
(((S)-1-Methyl-2-phenyl-ethyl)-(3-phenyl-propyl)-am...)
Show SMILES C[C@@H](Cc1ccccc1)NCCCc1ccccc1
Show InChI InChI=1S/C18H23N/c1-16(15-18-11-6-3-7-12-18)19-14-8-13-17-9-4-2-5-10-17/h2-7,9-12,16,19H,8,13-15H2,1H3/t16-/m0/s1
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22n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards sigma opioid receptor in guinea pig cerebral homogenate using [3H]DTG as radioligand


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


(HUMAN)
BDBM50041279
PNG
(((R)-1-Methyl-2-phenyl-ethyl)-(3-phenyl-propyl)-am...)
Show SMILES C[C@H](Cc1ccccc1)NCCCc1ccccc1
Show InChI InChI=1S/C18H23N/c1-16(15-18-11-6-3-7-12-18)19-14-8-13-17-9-4-2-5-10-17/h2-7,9-12,16,19H,8,13-15H2,1H3/t16-/m1/s1
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28n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards sigma opioid receptor in guinea pig cerebral homogenate using [3H]DTG as radioligand


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


(HUMAN)
BDBM50041245
PNG
(((S)-1-Methyl-2-phenyl-ethyl)-phenethyl-amine | CH...)
Show SMILES C[C@@H](Cc1ccccc1)NCCc1ccccc1
Show InChI InChI=1S/C17H21N/c1-15(14-17-10-6-3-7-11-17)18-13-12-16-8-4-2-5-9-16/h2-11,15,18H,12-14H2,1H3/t15-/m0/s1
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31n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards sigma opioid receptor in guinea pig cerebral homogenate using [3H]DTG as radioligand


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


(RAT)
BDBM50368224
PNG
(CHEMBL1907648)
Show SMILES C[C@H](Cc1ccccc1)NCCOc1ccccc1
Show InChI InChI=1S/C17H21NO/c1-15(14-16-8-4-2-5-9-16)18-12-13-19-17-10-6-3-7-11-17/h2-11,15,18H,12-14H2,1H3/t15-/m1/s1
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32n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards sigma opioid receptor was determined in rat cerebral homogenate using [3H]haloperidol as radioligand


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


(HUMAN)
BDBM50368224
PNG
(CHEMBL1907648)
Show SMILES C[C@H](Cc1ccccc1)NCCOc1ccccc1
Show InChI InChI=1S/C17H21NO/c1-15(14-16-8-4-2-5-9-16)18-12-13-19-17-10-6-3-7-11-17/h2-11,15,18H,12-14H2,1H3/t15-/m1/s1
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45n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards sigma opioid receptor in guinea pig cerebral homogenate using [3H]DTG as radioligand


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


(RAT)
BDBM50041254
PNG
(((R)-1-Methyl-2-phenyl-ethyl)-phenethyl-amine | CH...)
Show SMILES C[C@H](Cc1ccccc1)NCCc1ccccc1
Show InChI InChI=1S/C17H21N/c1-15(14-17-10-6-3-7-11-17)18-13-12-16-8-4-2-5-9-16/h2-11,15,18H,12-14H2,1H3/t15-/m1/s1
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46n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards sigma opioid receptor was determined in rat cerebral homogenate using [3H]haloperidol as radioligand


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


(HUMAN)
BDBM50368229
PNG
(CHEMBL1907647)
Show SMILES C[C@H](Cc1ccccc1)NCCC(=O)c1ccccc1
Show InChI InChI=1S/C18H21NO/c1-15(14-16-8-4-2-5-9-16)19-13-12-18(20)17-10-6-3-7-11-17/h2-11,15,19H,12-14H2,1H3/t15-/m1/s1
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56n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards sigma opioid receptor in guinea pig cerebral homogenate using [3H]DTG as radioligand


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


(HUMAN)
BDBM50041254
PNG
(((R)-1-Methyl-2-phenyl-ethyl)-phenethyl-amine | CH...)
Show SMILES C[C@H](Cc1ccccc1)NCCc1ccccc1
Show InChI InChI=1S/C17H21N/c1-15(14-17-10-6-3-7-11-17)18-13-12-16-8-4-2-5-9-16/h2-11,15,18H,12-14H2,1H3/t15-/m1/s1
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60n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards sigma opioid receptor in guinea pig cerebral homogenate using [3H]DTG as radioligand


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


(HUMAN)
BDBM50041254
PNG
(((R)-1-Methyl-2-phenyl-ethyl)-phenethyl-amine | CH...)
Show SMILES C[C@H](Cc1ccccc1)NCCc1ccccc1
Show InChI InChI=1S/C17H21N/c1-15(14-17-10-6-3-7-11-17)18-13-12-16-8-4-2-5-9-16/h2-11,15,18H,12-14H2,1H3/t15-/m1/s1
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61n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards sigma opioid receptor was determined in guinea pig cerebral homogenate using [3H]haloperidol as radioligand


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


(RAT)
BDBM50368229
PNG
(CHEMBL1907647)
Show SMILES C[C@H](Cc1ccccc1)NCCC(=O)c1ccccc1
Show InChI InChI=1S/C18H21NO/c1-15(14-16-8-4-2-5-9-16)19-13-12-18(20)17-10-6-3-7-11-17/h2-11,15,19H,12-14H2,1H3/t15-/m1/s1
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73n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards sigma opioid receptor was determined in rat cerebral homogenate using [3H]haloperidol as radioligand


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


(HUMAN)
BDBM50368230
PNG
(CHEMBL1907649)
Show SMILES C[C@H](Cc1ccccc1)NCC#Cc1ccccc1
Show InChI InChI=1S/C18H19N/c1-16(15-18-11-6-3-7-12-18)19-14-8-13-17-9-4-2-5-10-17/h2-7,9-12,16,19H,14-15H2,1H3/t16-/m1/s1
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97n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards sigma opioid receptor in guinea pig cerebral homogenate using [3H]DTG as radioligand


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


(RAT)
BDBM50368227
PNG
(N-BENZYLAMPHETAMINE | N-Benzylamphetamine (Bam))
Show SMILES C[C@H](Cc1ccccc1)NCc1ccccc1
Show InChI InChI=1S/C16H19N/c1-14(12-15-8-4-2-5-9-15)17-13-16-10-6-3-7-11-16/h2-11,14,17H,12-13H2,1H3/t14-/m1/s1
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103n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards sigma opioid receptor was determined in rat cerebral homogenate using [3H]haloperidol as radioligand


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


(HUMAN)
BDBM50368227
PNG
(N-BENZYLAMPHETAMINE | N-Benzylamphetamine (Bam))
Show SMILES C[C@H](Cc1ccccc1)NCc1ccccc1
Show InChI InChI=1S/C16H19N/c1-14(12-15-8-4-2-5-9-15)17-13-16-10-6-3-7-11-16/h2-11,14,17H,12-13H2,1H3/t14-/m1/s1
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117n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards sigma opioid receptor in guinea pig cerebral homogenate using [3H]DTG as radioligand


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


(HUMAN)
BDBM50009061
PNG
((S,S)(1-Methyl-2-phenyl-ethyl)-(1-phenyl-ethyl)-am...)
Show SMILES CC(Cc1ccccc1)NC(C)c1ccccc1
Show InChI InChI=1S/C17H21N/c1-14(13-16-9-5-3-6-10-16)18-15(2)17-11-7-4-8-12-17/h3-12,14-15,18H,13H2,1-2H3
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275n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards sigma opioid receptor in guinea pig cerebral homogenate using [3H]DTG as radioligand


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


(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
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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429n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards sigma opioid receptor in guinea pig cerebral homogenate using [3H]DTG as radioligand


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


(HUMAN)
BDBM50368223
PNG
(Adiparthrol | Apetinil | ETILAMFETAMINE | Ethylamp...)
Show SMILES CCN[C@H](C)Cc1ccccc1
Show InChI InChI=1S/C11H17N/c1-3-12-10(2)9-11-7-5-4-6-8-11/h4-8,10,12H,3,9H2,1-2H3/t10-/m1/s1
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660n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards sigma opioid receptor in guinea pig cerebral homogenate using [3H]DTG as radioligand


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Ligand-Target Pair
Sigma


(HUMAN)
BDBM50368226
PNG
(CHEMBL1907645)
Show SMILES C[C@H](Cc1ccccc1)NCC1CC1
Show InChI InChI=1S/C13H19N/c1-11(14-10-13-7-8-13)9-12-5-3-2-4-6-12/h2-6,11,13-14H,7-10H2,1H3/t11-/m1/s1
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660n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards sigma opioid receptor in guinea pig cerebral homogenate using [3H]DTG as radioligand


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More data for this
Ligand-Target Pair
OPIATE Sigma


(RAT)
BDBM50368226
PNG
(CHEMBL1907645)
Show SMILES C[C@H](Cc1ccccc1)NCC1CC1
Show InChI InChI=1S/C13H19N/c1-11(14-10-13-7-8-13)9-12-5-3-2-4-6-12/h2-6,11,13-14H,7-10H2,1H3/t11-/m1/s1
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664n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards sigma opioid receptor was determined in rat cerebral homogenate using [3H]haloperidol as radioligand


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More data for this
Ligand-Target Pair
Sigma


(HUMAN)
BDBM50368225
PNG
(CHEMBL1907643)
Show SMILES CCCN[C@H](C)Cc1ccccc1
Show InChI InChI=1S/C12H19N/c1-3-9-13-11(2)10-12-7-5-4-6-8-12/h4-8,11,13H,3,9-10H2,1-2H3/t11-/m1/s1
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1.64E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards sigma opioid receptor in guinea pig cerebral homogenate using [3H]DTG as radioligand


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


(HUMAN)
BDBM50359499
PNG
((S)Methamphetamine | METHAMPHETAMINE)
Show SMILES CN[C@@H](C)Cc1ccccc1
Show InChI InChI=1S/C10H15N/c1-9(11-2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t9-/m0/s1
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8.32E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards sigma opioid receptor in guinea pig cerebral homogenate using [3H]DTG as radioligand


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Ligand-Target Pair
Sigma


(HUMAN)
BDBM50022721
PNG
((R)-amphetamine | AMPHETAMINE | CHEMBL19393)
Show SMILES C[C@@H](N)Cc1ccccc1
Show InChI InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/t8-/m1/s1
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4.64E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards sigma opioid receptor in guinea pig cerebral homogenate using [3H]DTG as radioligand


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More data for this
Ligand-Target Pair
OPIATE Sigma


(RAT)
BDBM50005246
PNG
(1-Phenylpropan-2-amin | 1-phenyl-2-aminopropane | ...)
Show SMILES CC(N)Cc1ccccc1
Show InChI InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3
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>5.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards sigma opioid receptor was determined in rat cerebral homogenate using [3H]haloperidol as radioligand


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%