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Compile Data Set for Download or QSAR

Found 318 hits with Last Name = 'zampieri' 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


(RAT)
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 |r|
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

Curated by ChEMBL


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


ACS Med Chem Lett 2: 834-839 (2011)


Article DOI: 10.1021/ml2001505
BindingDB Entry DOI: 10.7270/Q2RR208C
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
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


J Med Chem 52: 5380-93 (2009)


Article DOI: 10.1021/jm900366z
BindingDB Entry DOI: 10.7270/Q2ZP4712
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
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

Curated by ChEMBL


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


ACS Med Chem Lett 2: 834-839 (2011)


Article DOI: 10.1021/ml2001505
BindingDB Entry DOI: 10.7270/Q2RR208C
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
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


Eur J Med Chem 44: 124-30 (2008)


Article DOI: 10.1016/j.ejmech.2008.03.011
BindingDB Entry DOI: 10.7270/Q2639PHX
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50047016
PNG
(1-(4-Fluoro-phenyl)-4-[4-hydroxy-4-(3-trifluoromet...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C22H23F4NO2/c23-19-8-6-16(7-9-19)20(28)5-2-12-27-13-10-21(29,11-14-27)17-3-1-4-18(15-17)22(24,25)26/h1,3-4,6-9,15,29H,2,5,10-14H2
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0.800n/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


J Med Chem 52: 5380-93 (2009)


Article DOI: 10.1021/jm900366z
BindingDB Entry DOI: 10.7270/Q2ZP4712
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50193455
PNG
(CHEMBL3966143)
Show SMILES CN(CCCCN1C(COC1=O)c1ccccc1)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C21H25ClN2O2/c1-23(15-17-9-11-19(22)12-10-17)13-5-6-14-24-20(16-26-21(24)25)18-7-3-2-4-8-18/h2-4,7-12,20H,5-6,13-16H2,1H3
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0.950n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


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


Eur J Med Chem 121: 712-726 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.001
BindingDB Entry DOI: 10.7270/Q2222WR9
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50000296
PNG
(CHEMBL441765 | CHEMBL482811 | U-50488H | US1149237...)
Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C19H26Cl2N2O/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23/h8-9,12,17-18H,2-7,10-11,13H2,1H3/t17-,18-/m1/s1
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1.10n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128860
BindingDB Entry DOI: 10.7270/Q2N87FR5
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50310078
PNG
((R/S)-1-(3-(6-Methoxynaphthalen-2-yl)butyl)piperid...)
Show SMILES COc1ccc2cc(ccc2c1)C(C)CCN1CCCCC1
Show InChI InChI=1S/C20H27NO/c1-16(10-13-21-11-4-3-5-12-21)17-6-7-19-15-20(22-2)9-8-18(19)14-17/h6-9,14-16H,3-5,10-13H2,1-2H3
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1.29n/an/an/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma 1 opioid receptor in rat liver homogenate


Bioorg Med Chem 18: 1204-12 (2010)


Article DOI: 10.1016/j.bmc.2009.12.039
BindingDB Entry DOI: 10.7270/Q2PN95S5
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM21015
PNG
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO
Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1
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1.5n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128860
BindingDB Entry DOI: 10.7270/Q2N87FR5
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))
BDBM50502547
PNG
(CHEMBL4581662)
Show SMILES O=C1CCc2ccccc2N1CCCCN1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C23H35N3O/c27-23-13-12-20-8-4-5-11-22(20)26(23)15-7-6-14-24-16-18-25(19-17-24)21-9-2-1-3-10-21/h4-5,8,11,21H,1-3,6-7,9-10,12-19H2
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1.5n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]-di-o-tolylguanidine from sigma2 receptor in rat liver membranes in the presence of sigma1 receptor ligand (+)-pentazocine incuba...


Eur J Med Chem 180: 268-282 (2019)


Article DOI: 10.1016/j.ejmech.2019.07.012
BindingDB Entry DOI: 10.7270/Q2ST7T3Z
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50380360
PNG
(CHEMBL2017957)
Show SMILES CC(=O)N(CC1CCN(Cc2ccc(Cl)cc2)CC1)Cc1ccccc1
Show InChI InChI=1S/C22H27ClN2O/c1-18(26)25(16-19-5-3-2-4-6-19)17-21-11-13-24(14-12-21)15-20-7-9-22(23)10-8-20/h2-10,21H,11-17H2,1H3
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1.87n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


ACS Med Chem Lett 2: 834-839 (2011)


Article DOI: 10.1021/ml2001505
BindingDB Entry DOI: 10.7270/Q2RR208C
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B


(Homo sapiens (Human))
BDBM50502547
PNG
(CHEMBL4581662)
Show SMILES O=C1CCc2ccccc2N1CCCCN1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C23H35N3O/c27-23-13-12-20-8-4-5-11-22(20)26(23)15-7-6-14-24-16-18-25(19-17-24)21-9-2-1-3-10-21/h4-5,8,11,21H,1-3,6-7,9-10,12-19H2
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2n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil from GluN1a/GluN2B (unknown origin) expressed in mouse L(tk-) cell membranes after 120 mins by solid scintillation cou...


Eur J Med Chem 180: 268-282 (2019)


Article DOI: 10.1016/j.ejmech.2019.07.012
BindingDB Entry DOI: 10.7270/Q2ST7T3Z
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50310077
PNG
((R/S)-N-Benzyl-3-(6-methoxynaphthalen-2-yl)-N-meth...)
Show SMILES COc1ccc2cc(ccc2c1)C(C)CCN(C)Cc1ccccc1
Show InChI InChI=1S/C23H27NO/c1-18(13-14-24(2)17-19-7-5-4-6-8-19)20-9-10-22-16-23(25-3)12-11-21(22)15-20/h4-12,15-16,18H,13-14,17H2,1-3H3
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2.31n/an/an/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma 1 opioid receptor in rat liver homogenate


Bioorg Med Chem 18: 1204-12 (2010)


Article DOI: 10.1016/j.bmc.2009.12.039
BindingDB Entry DOI: 10.7270/Q2PN95S5
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50310074
PNG
((R/S)-4-(benzyl(methyl)amino)-2-(biphenyl-4-yl)but...)
Show SMILES CN(CCC(C)(O)c1ccc(cc1)-c1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C24H27NO/c1-24(26,17-18-25(2)19-20-9-5-3-6-10-20)23-15-13-22(14-16-23)21-11-7-4-8-12-21/h3-16,26H,17-19H2,1-2H3
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2.38n/an/an/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma 1 opioid receptor in rat liver homogenate


Bioorg Med Chem 18: 1204-12 (2010)


Article DOI: 10.1016/j.bmc.2009.12.039
BindingDB Entry DOI: 10.7270/Q2PN95S5
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50370067
PNG
(CHEMBL1237164)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O |r,TLB:28:29:7.12.13:4.5.18,30:29:7.12.13:4.5.18|
Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24+,25+,26-/m1/s1
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2.5n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128860
BindingDB Entry DOI: 10.7270/Q2N87FR5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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2.5n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128860
BindingDB Entry DOI: 10.7270/Q2N87FR5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50295408
PNG
(3-[4-(N-Benzyl-N-methylamino)butyl]benzo[d]oxazol-...)
Show SMILES CN(CCCCn1c2ccccc2oc1=O)Cc1ccccc1
Show InChI InChI=1S/C19H22N2O2/c1-20(15-16-9-3-2-4-10-16)13-7-8-14-21-17-11-5-6-12-18(17)23-19(21)22/h2-6,9-12H,7-8,13-15H2,1H3
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2.60n/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


J Med Chem 52: 5380-93 (2009)


Article DOI: 10.1021/jm900366z
BindingDB Entry DOI: 10.7270/Q2ZP4712
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50295408
PNG
(3-[4-(N-Benzyl-N-methylamino)butyl]benzo[d]oxazol-...)
Show SMILES CN(CCCCn1c2ccccc2oc1=O)Cc1ccccc1
Show InChI InChI=1S/C19H22N2O2/c1-20(15-16-9-3-2-4-10-16)13-7-8-14-21-17-11-5-6-12-18(17)23-19(21)22/h2-6,9-12H,7-8,13-15H2,1H3
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2.60n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


ACS Med Chem Lett 2: 834-839 (2011)


Article DOI: 10.1021/ml2001505
BindingDB Entry DOI: 10.7270/Q2RR208C
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50193445
PNG
(CHEMBL3964384)
Show SMILES CN(CCCCN1C(COC1=O)c1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C21H26N2O2/c1-22(16-18-10-4-2-5-11-18)14-8-9-15-23-20(17-25-21(23)24)19-12-6-3-7-13-19/h2-7,10-13,20H,8-9,14-17H2,1H3
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2.70n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


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


Eur J Med Chem 121: 712-726 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.001
BindingDB Entry DOI: 10.7270/Q2222WR9
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50193443
PNG
(CHEMBL3954990)
Show SMILES CN(CCCCN1[C@@H](COC1=O)c1ccccc1)Cc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C21H25ClN2O2/c1-23(15-17-9-11-19(22)12-10-17)13-5-6-14-24-20(16-26-21(24)25)18-7-3-2-4-8-18/h2-4,7-12,20H,5-6,13-16H2,1H3/t20-/m0/s1
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2.90n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


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


Eur J Med Chem 121: 712-726 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.001
BindingDB Entry DOI: 10.7270/Q2222WR9
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50248955
PNG
(3-((1-(4-methylbenzyl)piperidin-4-yl)methyl)benzo[...)
Show SMILES Cc1ccc(CN2CCC(Cn3c4ccccc4oc3=O)CC2)cc1
Show InChI InChI=1S/C21H24N2O2/c1-16-6-8-17(9-7-16)14-22-12-10-18(11-13-22)15-23-19-4-2-3-5-20(19)25-21(23)24/h2-9,18H,10-15H2,1H3
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2.90n/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


Eur J Med Chem 44: 124-30 (2008)


Article DOI: 10.1016/j.ejmech.2008.03.011
BindingDB Entry DOI: 10.7270/Q2639PHX
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50248955
PNG
(3-((1-(4-methylbenzyl)piperidin-4-yl)methyl)benzo[...)
Show SMILES Cc1ccc(CN2CCC(Cn3c4ccccc4oc3=O)CC2)cc1
Show InChI InChI=1S/C21H24N2O2/c1-16-6-8-17(9-7-16)14-22-12-10-18(11-13-22)15-23-19-4-2-3-5-20(19)25-21(23)24/h2-9,18H,10-15H2,1H3
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3.07n/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


J Med Chem 52: 5380-93 (2009)


Article DOI: 10.1021/jm900366z
BindingDB Entry DOI: 10.7270/Q2ZP4712
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50248905
PNG
(3-((1-benzylpiperidin-4-yl)methyl)benzo[d]oxazol-2...)
Show SMILES O=c1oc2ccccc2n1CC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C20H22N2O2/c23-20-22(18-8-4-5-9-19(18)24-20)15-17-10-12-21(13-11-17)14-16-6-2-1-3-7-16/h1-9,17H,10-15H2
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3.58n/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


J Med Chem 52: 5380-93 (2009)


Article DOI: 10.1021/jm900366z
BindingDB Entry DOI: 10.7270/Q2ZP4712
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50248905
PNG
(3-((1-benzylpiperidin-4-yl)methyl)benzo[d]oxazol-2...)
Show SMILES O=c1oc2ccccc2n1CC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C20H22N2O2/c23-20-22(18-8-4-5-9-19(18)24-20)15-17-10-12-21(13-11-17)14-16-6-2-1-3-7-16/h1-9,17H,10-15H2
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3.58n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


ACS Med Chem Lett 2: 834-839 (2011)


Article DOI: 10.1021/ml2001505
BindingDB Entry DOI: 10.7270/Q2RR208C
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50198062
PNG
((R/S)-N-Benzyl-3-(biphenyl-4-yl)-N-methylbutan-1-a...)
Show SMILES CC(CCN(C)Cc1ccccc1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C24H27N/c1-20(17-18-25(2)19-21-9-5-3-6-10-21)22-13-15-24(16-14-22)23-11-7-4-8-12-23/h3-16,20H,17-19H2,1-2H3
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3.59n/an/an/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma 1 opioid receptor in rat liver homogenate


Bioorg Med Chem 18: 1204-12 (2010)


Article DOI: 10.1016/j.bmc.2009.12.039
BindingDB Entry DOI: 10.7270/Q2PN95S5
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50248905
PNG
(3-((1-benzylpiperidin-4-yl)methyl)benzo[d]oxazol-2...)
Show SMILES O=c1oc2ccccc2n1CC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C20H22N2O2/c23-20-22(18-8-4-5-9-19(18)24-20)15-17-10-12-21(13-11-17)14-16-6-2-1-3-7-16/h1-9,17H,10-15H2
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3.60n/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


Eur J Med Chem 44: 124-30 (2008)


Article DOI: 10.1016/j.ejmech.2008.03.011
BindingDB Entry DOI: 10.7270/Q2639PHX
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50062556
PNG
(CHEMBL3397622)
Show SMILES Clc1ccc(CN2CCC(CC2)C(=O)N2CCCc3ccccc23)cc1
Show InChI InChI=1S/C22H25ClN2O/c23-20-9-7-17(8-10-20)16-24-14-11-19(12-15-24)22(26)25-13-3-5-18-4-1-2-6-21(18)25/h1-2,4,6-10,19H,3,5,11-16H2
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3.70n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of (+)-[3H]pentazocine from guinea pig brain cortex sigma1 receptor by scintillation analyzer


Eur J Med Chem 90: 797-808 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.018
BindingDB Entry DOI: 10.7270/Q2K64KQX
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50248929
PNG
(3-[[1-(4-Fluorobenzyl)piperidin-4-yl]methyl]benzo[...)
Show SMILES Fc1ccc(CN2CCC(Cn3c4ccccc4oc3=O)CC2)cc1
Show InChI InChI=1S/C20H21FN2O2/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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3.90n/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


Eur J Med Chem 44: 124-30 (2008)


Article DOI: 10.1016/j.ejmech.2008.03.011
BindingDB Entry DOI: 10.7270/Q2639PHX
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50198065
PNG
(4(E)-N-Benzyl-3-(biphenyl-4-yl)-N-methylbut-2-en-1...)
Show SMILES CN(C\C=C(/C)c1ccc(cc1)-c1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C24H25N/c1-20(17-18-25(2)19-21-9-5-3-6-10-21)22-13-15-24(16-14-22)23-11-7-4-8-12-23/h3-17H,18-19H2,1-2H3/b20-17+
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4.17n/an/an/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma 1 opioid receptor in rat liver homogenate


Bioorg Med Chem 18: 1204-12 (2010)


Article DOI: 10.1016/j.bmc.2009.12.039
BindingDB Entry DOI: 10.7270/Q2PN95S5
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50310076
PNG
((E)-1-(3-(6-Methoxynaphthalen-2-yl)but-2-enyl)pipe...)
Show SMILES COc1ccc2cc(ccc2c1)C(\C)=C\CN1CCCCC1
Show InChI InChI=1S/C20H25NO/c1-16(10-13-21-11-4-3-5-12-21)17-6-7-19-15-20(22-2)9-8-18(19)14-17/h6-10,14-15H,3-5,11-13H2,1-2H3/b16-10+
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4.41n/an/an/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma 1 opioid receptor in rat liver homogenate


Bioorg Med Chem 18: 1204-12 (2010)


Article DOI: 10.1016/j.bmc.2009.12.039
BindingDB Entry DOI: 10.7270/Q2PN95S5
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50062557
PNG
(CHEMBL3397621)
Show SMILES O=C(C1CCN(Cc2ccccc2)CC1)N1CCCc2ccccc12
Show InChI InChI=1S/C22H26N2O/c25-22(24-14-6-10-19-9-4-5-11-21(19)24)20-12-15-23(16-13-20)17-18-7-2-1-3-8-18/h1-5,7-9,11,20H,6,10,12-17H2
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4.60n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of (+)-[3H]pentazocine from guinea pig brain cortex sigma1 receptor by scintillation analyzer


Eur J Med Chem 90: 797-808 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.018
BindingDB Entry DOI: 10.7270/Q2K64KQX
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
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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4.70n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128860
BindingDB Entry DOI: 10.7270/Q2N87FR5
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B


(Homo sapiens (Human))
BDBM50502557
PNG
(CHEMBL4459690)
Show SMILES O=C1CCc2ccccc2N1CCCCN1CCC2(CC1)OCc1ccccc21
Show InChI InChI=1S/C25H30N2O2/c28-24-12-11-20-7-2-4-10-23(20)27(24)16-6-5-15-26-17-13-25(14-18-26)22-9-3-1-8-21(22)19-29-25/h1-4,7-10H,5-6,11-19H2
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5n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil from GluN1a/GluN2B (unknown origin) expressed in mouse L(tk-) cell membranes after 120 mins by solid scintillation cou...


Eur J Med Chem 180: 268-282 (2019)


Article DOI: 10.1016/j.ejmech.2019.07.012
BindingDB Entry DOI: 10.7270/Q2ST7T3Z
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B


(Homo sapiens (Human))
BDBM50502554
PNG
(CHEMBL4533030)
Show SMILES CN(CCCCN1C(=O)CCc2ccccc12)Cc1ccc(C)cc1C
Show InChI InChI=1S/C23H30N2O/c1-18-10-11-21(19(2)16-18)17-24(3)14-6-7-15-25-22-9-5-4-8-20(22)12-13-23(25)26/h4-5,8-11,16H,6-7,12-15,17H2,1-3H3
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5n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil from GluN1a/GluN2B (unknown origin) expressed in mouse L(tk-) cell membranes after 120 mins by solid scintillation cou...


Eur J Med Chem 180: 268-282 (2019)


Article DOI: 10.1016/j.ejmech.2019.07.012
BindingDB Entry DOI: 10.7270/Q2ST7T3Z
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50193441
PNG
(CHEMBL3955644)
Show SMILES CN(CCCCN1C(=O)CSc2ccccc12)Cc1ccccc1
Show InChI InChI=1S/C20H24N2OS/c1-21(15-17-9-3-2-4-10-17)13-7-8-14-22-18-11-5-6-12-19(18)24-16-20(22)23/h2-6,9-12H,7-8,13-16H2,1H3
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5n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


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


Eur J Med Chem 121: 712-726 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.001
BindingDB Entry DOI: 10.7270/Q2222WR9
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50193437
PNG
(CHEMBL3975617)
Show SMILES CN(CCCCn1nc(oc1=O)-c1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C20H23N3O2/c1-22(16-17-10-4-2-5-11-17)14-8-9-15-23-20(24)25-19(21-23)18-12-6-3-7-13-18/h2-7,10-13H,8-9,14-16H2,1H3
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5.20n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


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


Eur J Med Chem 121: 712-726 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.001
BindingDB Entry DOI: 10.7270/Q2222WR9
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(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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5.70n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


ACS Med Chem Lett 2: 834-839 (2011)


Article DOI: 10.1021/ml2001505
BindingDB Entry DOI: 10.7270/Q2RR208C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sigma non-opioid intracellular receptor 1


(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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5.70n/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


J Med Chem 52: 5380-93 (2009)


Article DOI: 10.1021/jm900366z
BindingDB Entry DOI: 10.7270/Q2ZP4712
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sigma non-opioid intracellular receptor 1


(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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5.70n/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


Eur J Med Chem 44: 124-30 (2008)


Article DOI: 10.1016/j.ejmech.2008.03.011
BindingDB Entry DOI: 10.7270/Q2639PHX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50310072
PNG
((R/S)-4-(Benzyl(methyl)amino)-2-(6-methoxynaphthal...)
Show SMILES COc1ccc2cc(ccc2c1)C(C)(O)CCN(C)Cc1ccccc1
Show InChI InChI=1S/C23H27NO2/c1-23(25,13-14-24(2)17-18-7-5-4-6-8-18)21-11-9-20-16-22(26-3)12-10-19(20)15-21/h4-12,15-16,25H,13-14,17H2,1-3H3
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6.04n/an/an/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma 1 opioid receptor in rat liver homogenate


Bioorg Med Chem 18: 1204-12 (2010)


Article DOI: 10.1016/j.bmc.2009.12.039
BindingDB Entry DOI: 10.7270/Q2PN95S5
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 [3H]-(+)pentazocine from sigma-1 receptor in guinea pig brain membranes after 120 mins by scintillation counting method


ACS Med Chem Lett 11: 651-656 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00524
BindingDB Entry DOI: 10.7270/Q2ZS3134
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



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain cortex membranes incubated for 120 mins by solid scintillation counting...


Eur J Med Chem 180: 268-282 (2019)


Article DOI: 10.1016/j.ejmech.2019.07.012
BindingDB Entry DOI: 10.7270/Q2ST7T3Z
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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6.60n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of (+)-[3H]pentazocine from guinea pig brain cortex sigma1 receptor by scintillation analyzer


Eur J Med Chem 90: 797-808 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.018
BindingDB Entry DOI: 10.7270/Q2K64KQX
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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6.60n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


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


Eur J Med Chem 121: 712-726 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.001
BindingDB Entry DOI: 10.7270/Q2222WR9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50295411
PNG
(3-[4-[N-(4-Chlorobenzyl)-N-methylamino]butyl]benzo...)
Show SMILES CN(CCCCn1c2ccccc2oc1=O)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C19H21ClN2O2/c1-21(14-15-8-10-16(20)11-9-15)12-4-5-13-22-17-6-2-3-7-18(17)24-19(22)23/h2-3,6-11H,4-5,12-14H2,1H3
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7.10n/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


J Med Chem 52: 5380-93 (2009)


Article DOI: 10.1021/jm900366z
BindingDB Entry DOI: 10.7270/Q2ZP4712
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50295411
PNG
(3-[4-[N-(4-Chlorobenzyl)-N-methylamino]butyl]benzo...)
Show SMILES CN(CCCCn1c2ccccc2oc1=O)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C19H21ClN2O2/c1-21(14-15-8-10-16(20)11-9-15)12-4-5-13-22-17-6-2-3-7-18(17)24-19(22)23/h2-3,6-11H,4-5,12-14H2,1H3
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7.10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


ACS Med Chem Lett 2: 834-839 (2011)


Article DOI: 10.1021/ml2001505
BindingDB Entry DOI: 10.7270/Q2RR208C
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50193444
PNG
(CHEMBL3894798)
Show SMILES CN(CCCCN1[C@@H](COC1=O)c1ccccc1)Cc1ccccc1 |r|
Show InChI InChI=1S/C21H26N2O2/c1-22(16-18-10-4-2-5-11-18)14-8-9-15-23-20(17-25-21(23)24)19-12-6-3-7-13-19/h2-7,10-13,20H,8-9,14-17H2,1H3/t20-/m0/s1
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7.70n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


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


Eur J Med Chem 121: 712-726 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.001
BindingDB Entry DOI: 10.7270/Q2222WR9
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50062565
PNG
(CHEMBL3397613)
Show SMILES Clc1ccc(CN2CCC(CC2)C(=O)NC2CCCCC2)cc1
Show InChI InChI=1S/C19H27ClN2O/c20-17-8-6-15(7-9-17)14-22-12-10-16(11-13-22)19(23)21-18-4-2-1-3-5-18/h6-9,16,18H,1-5,10-14H2,(H,21,23)
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7.70n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of (+)-[3H]pentazocine from guinea pig brain cortex sigma1 receptor by scintillation analyzer


Eur J Med Chem 90: 797-808 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.018
BindingDB Entry DOI: 10.7270/Q2K64KQX
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50540585
PNG
(CHEMBL4639180)
Show SMILES O=C(N1CCCN(Cc2ccccc2)CC1)c1cc2ccccc2o1
Show InChI InChI=1S/C21H22N2O2/c24-21(20-15-18-9-4-5-10-19(18)25-20)23-12-6-11-22(13-14-23)16-17-7-2-1-3-8-17/h1-5,7-10,15H,6,11-14,16H2
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8n/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 guinea pig brain membranes after 120 mins by scintillation counting method


ACS Med Chem Lett 11: 651-656 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00524
BindingDB Entry DOI: 10.7270/Q2ZS3134
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50062553
PNG
(CHEMBL3397625)
Show SMILES Clc1ccc(CN2CCC(CC2)C(=O)N2CCc3ccccc3C2)cc1
Show InChI InChI=1S/C22H25ClN2O/c23-21-7-5-17(6-8-21)15-24-12-9-19(10-13-24)22(26)25-14-11-18-3-1-2-4-20(18)16-25/h1-8,19H,9-16H2
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8n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of (+)-[3H]pentazocine from guinea pig brain cortex sigma1 receptor by scintillation analyzer


Eur J Med Chem 90: 797-808 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.018
BindingDB Entry DOI: 10.7270/Q2K64KQX
More data for this
Ligand-Target Pair
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