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Compile Data Set for Download or QSAR

Found 55 hits with Last Name = 'marson' and Initial = 'd'   
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


(Cavia porcellus (Guinea pig))
BDBM50569770
PNG
(CHEMBL4873323)
Show SMILES C(C[C@@H]1CCC[C@@H](O1)c1ccccc1)NCC1CCCCC1 |r|
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0.950n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane measured after 120 mins by solid scintillation counting method


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113443
BindingDB Entry DOI: 10.7270/Q2JM2FD9
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50023218
PNG
(CHEMBL2435438)
Show SMILES COc1cc2OC(C)(C)C=Cc2cc1C(C)N(C)CCCc1ccccc1 |c:9|
Show InChI InChI=1S/C24H31NO2/c1-18(25(4)15-9-12-19-10-7-6-8-11-19)21-16-20-13-14-24(2,3)27-22(20)17-23(21)26-5/h6-8,10-11,13-14,16-18H,9,12,15H2,1-5H3
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0.950n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of (+)-pentazocine from sigma1 receptor in guinea pig brain cortex membrane by scintillation counting analysis


Eur J Med Chem 83: 526-33 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.054
BindingDB Entry DOI: 10.7270/Q2XK8H4W
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50569768
PNG
(CHEMBL4860790)
Show SMILES C(C[C@@H]1CCC[C@@H](O1)c1ccccc1)NCc1ccccc1 |r|
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1.60n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane measured after 120 mins by solid scintillation counting method


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113443
BindingDB Entry DOI: 10.7270/Q2JM2FD9
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50569769
PNG
(CHEMBL4869117)
Show SMILES C(C[C@H]1CCC[C@H](O1)c1ccccc1)NCC1CCCCC1 |r|
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2.40n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane measured after 120 mins by solid scintillation counting method


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113443
BindingDB Entry DOI: 10.7270/Q2JM2FD9
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50023216
PNG
(CHEMBL2435435)
Show SMILES COc1cc2OC(C)(C)C=Cc2cc1C(C)NCC1CCCCC1 |c:9|
Show InChI InChI=1S/C21H31NO2/c1-15(22-14-16-8-6-5-7-9-16)18-12-17-10-11-21(2,3)24-19(17)13-20(18)23-4/h10-13,15-16,22H,5-9,14H2,1-4H3
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2.40n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of (+)-pentazocine from sigma1 receptor in guinea pig brain cortex membrane by scintillation counting analysis


Eur J Med Chem 83: 526-33 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.054
BindingDB Entry DOI: 10.7270/Q2XK8H4W
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50023220
PNG
(CHEMBL3298974)
Show SMILES COc1cc2OC(C)(C)C=Cc2cc1[C@H](C)N(C)Cc1ccccc1 |r,c:9|
Show InChI InChI=1S/C22H27NO2/c1-16(23(4)15-17-9-7-6-8-10-17)19-13-18-11-12-22(2,3)25-20(18)14-21(19)24-5/h6-14,16H,15H2,1-5H3/t16-/m0/s1
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2.80n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of (+)-pentazocine from sigma1 receptor in guinea pig brain cortex membrane by scintillation counting analysis


Eur J Med Chem 83: 526-33 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.054
BindingDB Entry DOI: 10.7270/Q2XK8H4W
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50023219
PNG
(CHEMBL3298973)
Show SMILES COc1cc2OC(C)(C)C=Cc2cc1[C@@H](C)N(C)Cc1ccccc1 |r,c:9|
Show InChI InChI=1S/C22H27NO2/c1-16(23(4)15-17-9-7-6-8-10-17)19-13-18-11-12-22(2,3)25-20(18)14-21(19)24-5/h6-14,16H,15H2,1-5H3/t16-/m1/s1
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4.5n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of (+)-pentazocine from sigma1 receptor in guinea pig brain cortex membrane by scintillation counting analysis


Eur J Med Chem 83: 526-33 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.054
BindingDB Entry DOI: 10.7270/Q2XK8H4W
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50569767
PNG
(CHEMBL4858036)
Show SMILES C(C[C@H]1CCC[C@H](O1)c1ccccc1)NCc1ccccc1 |r|
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5.40n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane measured after 120 mins by solid scintillation counting method


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113443
BindingDB Entry DOI: 10.7270/Q2JM2FD9
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
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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5.60n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of (+)-pentazocine from sigma1 receptor in guinea pig brain cortex membrane by scintillation counting analysis


Eur J Med Chem 83: 526-33 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.054
BindingDB Entry DOI: 10.7270/Q2XK8H4W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50001028
PNG
((+)-PENTAZOCINE | (-)-pentazocine | (2R,6R,11R)-6,...)
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:16:15:1:3.4.10|
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+/m0/s1
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5.70n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane measured after 120 mins by solid scintillation counting method


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113443
BindingDB Entry DOI: 10.7270/Q2JM2FD9
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
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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6.30n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of (+)-pentazocine from sigma1 receptor in guinea pig brain cortex membrane by scintillation counting analysis


Eur J Med Chem 83: 526-33 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.054
BindingDB Entry DOI: 10.7270/Q2XK8H4W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
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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6.30n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane measured after 120 mins by solid scintillation counting method


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113443
BindingDB Entry DOI: 10.7270/Q2JM2FD9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50023207
PNG
(CHEMBL2435426)
Show SMILES COc1cc2OC(C)(C)C=Cc2cc1C(C)NCCCc1ccccc1 |c:9|
Show InChI InChI=1S/C23H29NO2/c1-17(24-14-8-11-18-9-6-5-7-10-18)20-15-19-12-13-23(2,3)26-21(19)16-22(20)25-4/h5-7,9-10,12-13,15-17,24H,8,11,14H2,1-4H3
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11n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of (+)-pentazocine from sigma1 receptor in guinea pig brain cortex membrane by scintillation counting analysis


Eur J Med Chem 83: 526-33 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.054
BindingDB Entry DOI: 10.7270/Q2XK8H4W
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50569772
PNG
(CHEMBL4875521)
Show SMILES C(CCc1ccccc1)CNCC[C@@H]1CCC[C@@H](O1)c1ccccc1 |r|
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15n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane measured after 120 mins by solid scintillation counting method


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113443
BindingDB Entry DOI: 10.7270/Q2JM2FD9
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50023217
PNG
(CHEMBL2435437)
Show SMILES COc1cc2OC(C)(C)C=Cc2cc1C(C)N1CCCC1 |c:9|
Show InChI InChI=1S/C18H25NO2/c1-13(19-9-5-6-10-19)15-11-14-7-8-18(2,3)21-16(14)12-17(15)20-4/h7-8,11-13H,5-6,9-10H2,1-4H3
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19n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of (+)-pentazocine from sigma1 receptor in guinea pig brain cortex membrane by scintillation counting analysis


Eur J Med Chem 83: 526-33 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.054
BindingDB Entry DOI: 10.7270/Q2XK8H4W
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50023223
PNG
(CHEMBL2435441)
Show SMILES COc1cc2OC(C)(C)CCc2cc1C(C)NCCCc1ccccc1
Show InChI InChI=1S/C23H31NO2/c1-17(24-14-8-11-18-9-6-5-7-10-18)20-15-19-12-13-23(2,3)26-21(19)16-22(20)25-4/h5-7,9-10,15-17,24H,8,11-14H2,1-4H3
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19n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of (+)-pentazocine from sigma1 receptor in guinea pig brain cortex membrane by scintillation counting analysis


Eur J Med Chem 83: 526-33 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.054
BindingDB Entry DOI: 10.7270/Q2XK8H4W
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50569778
PNG
(CHEMBL4865171)
Show SMILES C(CN1CCN(CC1)c1ccccc1)[C@@H]1CCC[C@@H](O1)c1ccccc1 |r|
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21n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane measured after 120 mins by solid scintillation counting method


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113443
BindingDB Entry DOI: 10.7270/Q2JM2FD9
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50023214
PNG
(CHEMBL2435433)
Show SMILES CCCCNC(C)c1cc2C=CC(C)(C)Oc2cc1OC |c:10|
Show InChI InChI=1S/C18H27NO2/c1-6-7-10-19-13(2)15-11-14-8-9-18(3,4)21-16(14)12-17(15)20-5/h8-9,11-13,19H,6-7,10H2,1-5H3
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22n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of (+)-pentazocine from sigma1 receptor in guinea pig brain cortex membrane by scintillation counting analysis


Eur J Med Chem 83: 526-33 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.054
BindingDB Entry DOI: 10.7270/Q2XK8H4W
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50569771
PNG
(CHEMBL4861025)
Show SMILES C(CCc1ccccc1)CNCC[C@H]1CCC[C@H](O1)c1ccccc1 |r|
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29n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane measured after 120 mins by solid scintillation counting method


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113443
BindingDB Entry DOI: 10.7270/Q2JM2FD9
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50023206
PNG
(CHEMBL2435425)
Show SMILES COc1cc2OC(C)(C)C=Cc2cc1C(C)NCCc1ccccc1 |c:9|
Show InChI InChI=1S/C22H27NO2/c1-16(23-13-11-17-8-6-5-7-9-17)19-14-18-10-12-22(2,3)25-20(18)15-21(19)24-4/h5-10,12,14-16,23H,11,13H2,1-4H3
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29n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of (+)-pentazocine from sigma1 receptor in guinea pig brain cortex membrane by scintillation counting analysis


Eur J Med Chem 83: 526-33 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.054
BindingDB Entry DOI: 10.7270/Q2XK8H4W
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50569775
PNG
(CHEMBL4857336)
Show SMILES C(CN1CCCC1)[C@H]1CCC[C@H](O1)c1ccccc1 |r|
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31n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane measured after 120 mins by solid scintillation counting method


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113443
BindingDB Entry DOI: 10.7270/Q2JM2FD9
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))
BDBM50569769
PNG
(CHEMBL4869117)
Show SMILES C(C[C@H]1CCC[C@H](O1)c1ccccc1)NCC1CCCCC1 |r|
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36n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-di-o-tolylguanidine from sigma2 receptor in rat liver membrane by solid scintillation counting method


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113443
BindingDB Entry DOI: 10.7270/Q2JM2FD9
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50023208
PNG
(CHEMBL2435427)
Show SMILES COc1cc2OC(C)(C)C=Cc2cc1C(C)NCCCCc1ccccc1 |c:9|
Show InChI InChI=1S/C24H31NO2/c1-18(25-15-9-8-12-19-10-6-5-7-11-19)21-16-20-13-14-24(2,3)27-22(20)17-23(21)26-4/h5-7,10-11,13-14,16-18,25H,8-9,12,15H2,1-4H3
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37n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of (+)-pentazocine from sigma1 receptor in guinea pig brain cortex membrane by scintillation counting analysis


Eur J Med Chem 83: 526-33 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.054
BindingDB Entry DOI: 10.7270/Q2XK8H4W
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50023225
PNG
(CHEMBL2435443)
Show SMILES CCCCNC(C)c1cc2CCC(C)(C)Oc2cc1OC
Show InChI InChI=1S/C18H29NO2/c1-6-7-10-19-13(2)15-11-14-8-9-18(3,4)21-16(14)12-17(15)20-5/h11-13,19H,6-10H2,1-5H3
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43n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of (+)-pentazocine from sigma1 receptor in guinea pig brain cortex membrane by scintillation counting analysis


Eur J Med Chem 83: 526-33 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.054
BindingDB Entry DOI: 10.7270/Q2XK8H4W
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50023222
PNG
(CHEMBL2435440)
Show SMILES COc1cc2OC(C)(C)CCc2cc1C(C)NCCc1ccccc1
Show InChI InChI=1S/C22H29NO2/c1-16(23-13-11-17-8-6-5-7-9-17)19-14-18-10-12-22(2,3)25-20(18)15-21(19)24-4/h5-9,14-16,23H,10-13H2,1-4H3
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55n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of (+)-pentazocine from sigma1 receptor in guinea pig brain cortex membrane by scintillation counting analysis


Eur J Med Chem 83: 526-33 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.054
BindingDB Entry DOI: 10.7270/Q2XK8H4W
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))
BDBM50569770
PNG
(CHEMBL4873323)
Show SMILES C(C[C@@H]1CCC[C@@H](O1)c1ccccc1)NCC1CCCCC1 |r|
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57n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-di-o-tolylguanidine from sigma2 receptor in rat liver membrane by solid scintillation counting method


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113443
BindingDB Entry DOI: 10.7270/Q2JM2FD9
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50569777
PNG
(CHEMBL4859364)
Show SMILES C(CN1CCN(CC1)c1ccccc1)[C@H]1CCC[C@H](O1)c1ccccc1 |r|
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57n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane measured after 120 mins by solid scintillation counting method


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113443
BindingDB Entry DOI: 10.7270/Q2JM2FD9
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))
BDBM50009307
PNG
(DITOLYLGUANIDINE | Di-o-tolylguanidine)
Show SMILES Cc1ccccc1NC(=N)Nc1ccccc1C
Show InChI InChI=1S/C15H17N3/c1-11-7-3-5-9-13(11)17-15(16)18-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H3,16,17,18)
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58n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-di-o-tolylguanidine from sigma2 receptor in rat liver membrane by solid scintillation counting method


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113443
BindingDB Entry DOI: 10.7270/Q2JM2FD9
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50569776
PNG
(CHEMBL4861960)
Show SMILES C(CN1CCCC1)[C@@H]1CCC[C@@H](O1)c1ccccc1 |r|
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60n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane measured after 120 mins by solid scintillation counting method


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113443
BindingDB Entry DOI: 10.7270/Q2JM2FD9
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50023203
PNG
(CHEMBL2435424)
Show SMILES COc1cc2OC(C)(C)C=Cc2cc1C(C)NCc1ccccc1 |c:9|
Show InChI InChI=1S/C21H25NO2/c1-15(22-14-16-8-6-5-7-9-16)18-12-17-10-11-21(2,3)24-19(17)13-20(18)23-4/h5-13,15,22H,14H2,1-4H3
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75n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of (+)-pentazocine from sigma1 receptor in guinea pig brain cortex membrane by scintillation counting analysis


Eur J Med Chem 83: 526-33 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.054
BindingDB Entry DOI: 10.7270/Q2XK8H4W
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))
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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78n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-di-o-tolylguanidine from sigma2 receptor in rat liver membrane by solid scintillation counting method


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113443
BindingDB Entry DOI: 10.7270/Q2JM2FD9
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50023210
PNG
(CHEMBL2435431)
Show SMILES COc1cc2OC(C)(C)C=Cc2cc1C(C)NC\C=C\c1ccccc1 |c:9|
Show InChI InChI=1S/C23H27NO2/c1-17(24-14-8-11-18-9-6-5-7-10-18)20-15-19-12-13-23(2,3)26-21(19)16-22(20)25-4/h5-13,15-17,24H,14H2,1-4H3/b11-8+
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83n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of (+)-pentazocine from sigma1 receptor in guinea pig brain cortex membrane by scintillation counting analysis


Eur J Med Chem 83: 526-33 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.054
BindingDB Entry DOI: 10.7270/Q2XK8H4W
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50023213
PNG
(CHEMBL2435432)
Show SMILES CCNC(C)c1cc2C=CC(C)(C)Oc2cc1OC |c:8|
Show InChI InChI=1S/C16H23NO2/c1-6-17-11(2)13-9-12-7-8-16(3,4)19-14(12)10-15(13)18-5/h7-11,17H,6H2,1-5H3
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83n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of (+)-pentazocine from sigma1 receptor in guinea pig brain cortex membrane by scintillation counting analysis


Eur J Med Chem 83: 526-33 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.054
BindingDB Entry DOI: 10.7270/Q2XK8H4W
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50023205
PNG
(CHEMBL3298885)
Show SMILES COc1cc2OC(C)(C)C=Cc2cc1[C@H](C)NCc1ccccc1 |r,c:9|
Show InChI InChI=1S/C21H25NO2/c1-15(22-14-16-8-6-5-7-9-16)18-12-17-10-11-21(2,3)24-19(17)13-20(18)23-4/h5-13,15,22H,14H2,1-4H3/t15-/m0/s1
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85n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of (+)-pentazocine from sigma1 receptor in guinea pig brain cortex membrane by scintillation counting analysis


Eur J Med Chem 83: 526-33 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.054
BindingDB Entry DOI: 10.7270/Q2XK8H4W
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50009307
PNG
(DITOLYLGUANIDINE | Di-o-tolylguanidine)
Show SMILES Cc1ccccc1NC(=N)Nc1ccccc1C
Show InChI InChI=1S/C15H17N3/c1-11-7-3-5-9-13(11)17-15(16)18-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H3,16,17,18)
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89n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of (+)-pentazocine from sigma1 receptor in guinea pig brain cortex membrane by scintillation counting analysis


Eur J Med Chem 83: 526-33 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.054
BindingDB Entry DOI: 10.7270/Q2XK8H4W
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50009307
PNG
(DITOLYLGUANIDINE | Di-o-tolylguanidine)
Show SMILES Cc1ccccc1NC(=N)Nc1ccccc1C
Show InChI InChI=1S/C15H17N3/c1-11-7-3-5-9-13(11)17-15(16)18-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H3,16,17,18)
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89n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane measured after 120 mins by solid scintillation counting method


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113443
BindingDB Entry DOI: 10.7270/Q2JM2FD9
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50023204
PNG
(CHEMBL3298884)
Show SMILES COc1cc2OC(C)(C)C=Cc2cc1[C@@H](C)NCc1ccccc1 |r,c:9|
Show InChI InChI=1S/C21H25NO2/c1-15(22-14-16-8-6-5-7-9-16)18-12-17-10-11-21(2,3)24-19(17)13-20(18)23-4/h5-13,15,22H,14H2,1-4H3/t15-/m1/s1
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112n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of (+)-pentazocine from sigma1 receptor in guinea pig brain cortex membrane by scintillation counting analysis


Eur J Med Chem 83: 526-33 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.054
BindingDB Entry DOI: 10.7270/Q2XK8H4W
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50023224
PNG
(CHEMBL2435442)
Show SMILES COc1cc2OC(C)(C)CCc2cc1C(C)NCCCCc1ccccc1
Show InChI InChI=1S/C24H33NO2/c1-18(25-15-9-8-12-19-10-6-5-7-11-19)21-16-20-13-14-24(2,3)27-22(20)17-23(21)26-4/h5-7,10-11,16-18,25H,8-9,12-15H2,1-4H3
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115n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of (+)-pentazocine from sigma1 receptor in guinea pig brain cortex membrane by scintillation counting analysis


Eur J Med Chem 83: 526-33 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.054
BindingDB Entry DOI: 10.7270/Q2XK8H4W
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))
BDBM50569776
PNG
(CHEMBL4861960)
Show SMILES C(CN1CCCC1)[C@@H]1CCC[C@@H](O1)c1ccccc1 |r|
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115n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-di-o-tolylguanidine from sigma2 receptor in rat liver membrane by solid scintillation counting method


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113443
BindingDB Entry DOI: 10.7270/Q2JM2FD9
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50023221
PNG
(CHEMBL2435439)
Show SMILES COc1cc2OC(C)(C)CCc2cc1C(C)NCc1ccccc1
Show InChI InChI=1S/C21H27NO2/c1-15(22-14-16-8-6-5-7-9-16)18-12-17-10-11-21(2,3)24-19(17)13-20(18)23-4/h5-9,12-13,15,22H,10-11,14H2,1-4H3
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119n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of (+)-pentazocine from sigma1 receptor in guinea pig brain cortex membrane by scintillation counting analysis


Eur J Med Chem 83: 526-33 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.054
BindingDB Entry DOI: 10.7270/Q2XK8H4W
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))
BDBM50569778
PNG
(CHEMBL4865171)
Show SMILES C(CN1CCN(CC1)c1ccccc1)[C@@H]1CCC[C@@H](O1)c1ccccc1 |r|
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131n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-di-o-tolylguanidine from sigma2 receptor in rat liver membrane by solid scintillation counting method


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113443
BindingDB Entry DOI: 10.7270/Q2JM2FD9
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))
BDBM50569777
PNG
(CHEMBL4859364)
Show SMILES C(CN1CCN(CC1)c1ccccc1)[C@H]1CCC[C@H](O1)c1ccccc1 |r|
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161n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-di-o-tolylguanidine from sigma2 receptor in rat liver membrane by solid scintillation counting method


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113443
BindingDB Entry DOI: 10.7270/Q2JM2FD9
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50023209
PNG
(CHEMBL2435428)
Show SMILES COc1ccc(CNC(C)c2cc3C=CC(C)(C)Oc3cc2OC)cc1 |c:13|
Show InChI InChI=1S/C22H27NO3/c1-15(23-14-16-6-8-18(24-4)9-7-16)19-12-17-10-11-22(2,3)26-20(17)13-21(19)25-5/h6-13,15,23H,14H2,1-5H3
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165n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of (+)-pentazocine from sigma1 receptor in guinea pig brain cortex membrane by scintillation counting analysis


Eur J Med Chem 83: 526-33 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.054
BindingDB Entry DOI: 10.7270/Q2XK8H4W
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))
BDBM50569775
PNG
(CHEMBL4857336)
Show SMILES C(CN1CCCC1)[C@H]1CCC[C@H](O1)c1ccccc1 |r|
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170n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-di-o-tolylguanidine from sigma2 receptor in rat liver membrane by solid scintillation counting method


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113443
BindingDB Entry DOI: 10.7270/Q2JM2FD9
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50023215
PNG
(CHEMBL2435434)
Show SMILES CCN(CC)CCCC(C)NC(C)c1cc2C=CC(C)(C)Oc2cc1OC |c:16|
Show InChI InChI=1S/C23H38N2O2/c1-8-25(9-2)14-10-11-17(3)24-18(4)20-15-19-12-13-23(5,6)27-21(19)16-22(20)26-7/h12-13,15-18,24H,8-11,14H2,1-7H3
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192n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of (+)-pentazocine from sigma1 receptor in guinea pig brain cortex membrane by scintillation counting analysis


Eur J Med Chem 83: 526-33 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.054
BindingDB Entry DOI: 10.7270/Q2XK8H4W
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50569773
PNG
(CHEMBL4853884)
Show SMILES CN(C)CC[C@H]1CCC[C@H](O1)c1ccccc1 |r|
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217n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane measured after 120 mins by solid scintillation counting method


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113443
BindingDB Entry DOI: 10.7270/Q2JM2FD9
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50023211
PNG
(CHEMBL2435429)
Show SMILES COc1cc2OC(C)(C)C=Cc2cc1C(C)N[C@H](C)c1ccccc1 |r,c:9|
Show InChI InChI=1S/C22H27NO2/c1-15(17-9-7-6-8-10-17)23-16(2)19-13-18-11-12-22(3,4)25-20(18)14-21(19)24-5/h6-16,23H,1-5H3/t15-,16?/m1/s1
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232n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of (+)-pentazocine from sigma1 receptor in guinea pig brain cortex membrane by scintillation counting analysis


Eur J Med Chem 83: 526-33 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.054
BindingDB Entry DOI: 10.7270/Q2XK8H4W
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))
BDBM50569772
PNG
(CHEMBL4875521)
Show SMILES C(CCc1ccccc1)CNCC[C@@H]1CCC[C@@H](O1)c1ccccc1 |r|
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234n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-di-o-tolylguanidine from sigma2 receptor in rat liver membrane by solid scintillation counting method


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113443
BindingDB Entry DOI: 10.7270/Q2JM2FD9
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))
BDBM50569771
PNG
(CHEMBL4861025)
Show SMILES C(CCc1ccccc1)CNCC[C@H]1CCC[C@H](O1)c1ccccc1 |r|
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377n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-di-o-tolylguanidine from sigma2 receptor in rat liver membrane by solid scintillation counting method


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113443
BindingDB Entry DOI: 10.7270/Q2JM2FD9
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))
BDBM50569768
PNG
(CHEMBL4860790)
Show SMILES C(C[C@@H]1CCC[C@@H](O1)c1ccccc1)NCc1ccccc1 |r|
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
378n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-di-o-tolylguanidine from sigma2 receptor in rat liver membrane by solid scintillation counting method


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113443
BindingDB Entry DOI: 10.7270/Q2JM2FD9
More data for this
Ligand-Target Pair
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