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Compile Data Set for Download or QSAR

Found 74 hits with Last Name = 'korpis' and Initial = 'k'   
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))
BDBM50125099
PNG
(1-Benzyl-4-(4-methoxy-benzyl)-piperazine | 1-benzy...)
Show SMILES COc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C19H24N2O/c1-22-19-9-7-18(8-10-19)16-21-13-11-20(12-14-21)15-17-5-3-2-4-6-17/h2-10H,11-16H2,1H3
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0.470n/an/an/an/an/an/an/an/a



University of Greifswald

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain homogenates


Bioorg Med Chem 22: 221-33 (2013)


Article DOI: 10.1016/j.bmc.2013.11.033
BindingDB Entry DOI: 10.7270/Q2SF2XM7
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50181060
PNG
(CHEMBL3817940)
Show SMILES [H][C@]12C[C@H](O)[C@]([H])(CN1Cc1cccc3ccccc13)N(CC1CCCCC1)C2 |r,THB:4:3:20.28:7.8|
Show InChI InChI=1S/C24H32N2O/c27-24-13-21-16-26(14-18-7-2-1-3-8-18)23(24)17-25(21)15-20-11-6-10-19-9-4-5-12-22(19)20/h4-6,9-12,18,21,23-24,27H,1-3,7-8,13-17H2/t21-,23+,24+/m1/s1
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0.5n/an/an/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-Pentazocine from sigma 1 receptor in guinea pig brain membranes after 120 mins by scintillation counting analysis


J Med Chem 59: 5505-19 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00585
BindingDB Entry DOI: 10.7270/Q2CC12KN
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50009304
PNG
(CHEMBL3233531)
Show SMILES OCC[C@@H]1CN(CC2CCCCC2)CCN1Cc1cccc2ccccc12 |r|
Show InChI InChI=1S/C24H34N2O/c27-16-13-23-19-25(17-20-7-2-1-3-8-20)14-15-26(23)18-22-11-6-10-21-9-4-5-12-24(21)22/h4-6,9-12,20,23,27H,1-3,7-8,13-19H2/t23-/m1/s1
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0.900n/an/an/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain cortex membranes after 120 mins by scintillation counting analysis


J Med Chem 57: 2884-94 (2014)


Article DOI: 10.1021/jm401707t
BindingDB Entry DOI: 10.7270/Q2T15562
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50181297
PNG
(CHEMBL3819489)
Show SMILES [H][C@]12C[C@H](O)[C@]([H])(CN1Cc1ccccc1)N(CC1CCCCC1)C2 |r,THB:4:3:16.24:7.8|
Show InChI InChI=1S/C20H30N2O/c23-20-11-18-14-22(13-17-9-5-2-6-10-17)19(20)15-21(18)12-16-7-3-1-4-8-16/h1,3-4,7-8,17-20,23H,2,5-6,9-15H2/t18-,19+,20+/m1/s1
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1.60n/an/an/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-Pentazocine from sigma 1 receptor in human RPMI8226 cell membranes


J Med Chem 59: 5505-19 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00585
BindingDB Entry DOI: 10.7270/Q2CC12KN
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50181054
PNG
(CHEMBL3819146)
Show SMILES [H][C@]12CN(CC3CCCCC3)[C@]([H])(CN1Cc1ccccc1)[C@H](O)CC2 |r,TLB:15:14:3.2:22.25.24,23:22:3.2:13.14,4:3:13.14:22.25.24|
Show InChI InChI=1S/C21H32N2O/c24-21-12-11-19-15-23(14-18-9-5-2-6-10-18)20(21)16-22(19)13-17-7-3-1-4-8-17/h1,3-4,7-8,18-21,24H,2,5-6,9-16H2/t19-,20+,21+/m0/s1
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1.60n/an/an/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-Pentazocine from sigma 1 receptor in guinea pig brain membranes after 120 mins by scintillation counting analysis


J Med Chem 59: 5505-19 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00585
BindingDB Entry DOI: 10.7270/Q2CC12KN
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50009303
PNG
(CHEMBL3233530)
Show SMILES OCC[C@H]1CN(CC2CCCCC2)CCN1Cc1cccc2ccccc12 |r|
Show InChI InChI=1S/C24H34N2O/c27-16-13-23-19-25(17-20-7-2-1-3-8-20)14-15-26(23)18-22-11-6-10-21-9-4-5-12-24(21)22/h4-6,9-12,20,23,27H,1-3,7-8,13-19H2/t23-/m0/s1
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1.90n/an/an/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain cortex membranes after 120 mins by scintillation counting analysis


J Med Chem 57: 2884-94 (2014)


Article DOI: 10.1021/jm401707t
BindingDB Entry DOI: 10.7270/Q2T15562
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50009302
PNG
(CHEMBL3233529)
Show SMILES OCC[C@@H]1CN(CC2CCCCC2)CCN1Cc1ccccc1 |r|
Show InChI InChI=1S/C20H32N2O/c23-14-11-20-17-21(15-18-7-3-1-4-8-18)12-13-22(20)16-19-9-5-2-6-10-19/h2,5-6,9-10,18,20,23H,1,3-4,7-8,11-17H2/t20-/m1/s1
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1.90n/an/an/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain cortex membranes after 120 mins by scintillation counting analysis


J Med Chem 57: 2884-94 (2014)


Article DOI: 10.1021/jm401707t
BindingDB Entry DOI: 10.7270/Q2T15562
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50181054
PNG
(CHEMBL3819146)
Show SMILES [H][C@]12CN(CC3CCCCC3)[C@]([H])(CN1Cc1ccccc1)[C@H](O)CC2 |r,TLB:15:14:3.2:22.25.24,23:22:3.2:13.14,4:3:13.14:22.25.24|
Show InChI InChI=1S/C21H32N2O/c24-21-12-11-19-15-23(14-18-9-5-2-6-10-18)20(21)16-22(19)13-17-7-3-1-4-8-17/h1,3-4,7-8,18-21,24H,2,5-6,9-16H2/t19-,20+,21+/m0/s1
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2.20n/an/an/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-Pentazocine from sigma 1 receptor in human RPMI8226 cell membranes


J Med Chem 59: 5505-19 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00585
BindingDB Entry DOI: 10.7270/Q2CC12KN
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50181300
PNG
(CHEMBL3819437)
Show SMILES [H][C@@]12C[C@@H](O)[C@@]([H])(CN1Cc1ccccc1)N(CC1CCCCC1)C2 |r,THB:4:3:16.24:7.8|
Show InChI InChI=1S/C20H30N2O/c23-20-11-18-14-22(13-17-9-5-2-6-10-17)19(20)15-21(18)12-16-7-3-1-4-8-16/h1,3-4,7-8,17-20,23H,2,5-6,9-15H2/t18-,19+,20+/m0/s1
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2.40n/an/an/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-Pentazocine from sigma 1 receptor in human RPMI8226 cell membranes


J Med Chem 59: 5505-19 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00585
BindingDB Entry DOI: 10.7270/Q2CC12KN
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50181299
PNG
(CHEMBL3819331)
Show SMILES [H][C@]12C[C@@H](O)[C@]([H])(CN1Cc1ccccc1)N(CC1CCCCC1)C2 |r,THB:4:3:16.24:7.8|
Show InChI InChI=1S/C20H30N2O/c23-20-11-18-14-22(13-17-9-5-2-6-10-17)19(20)15-21(18)12-16-7-3-1-4-8-16/h1,3-4,7-8,17-20,23H,2,5-6,9-15H2/t18-,19+,20-/m1/s1
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2.80n/an/an/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-Pentazocine from sigma 1 receptor in human RPMI8226 cell membranes


J Med Chem 59: 5505-19 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00585
BindingDB Entry DOI: 10.7270/Q2CC12KN
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50181301
PNG
(CHEMBL3819395)
Show SMILES [H][C@@]12C[C@H](O)[C@@]([H])(CN1Cc1ccccc1)N(CC1CCCCC1)C2 |r,THB:4:3:16.24:7.8|
Show InChI InChI=1S/C20H30N2O/c23-20-11-18-14-22(13-17-9-5-2-6-10-17)19(20)15-21(18)12-16-7-3-1-4-8-16/h1,3-4,7-8,17-20,23H,2,5-6,9-15H2/t18-,19+,20-/m0/s1
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3.20n/an/an/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-Pentazocine from sigma 1 receptor in human RPMI8226 cell membranes


J Med Chem 59: 5505-19 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00585
BindingDB Entry DOI: 10.7270/Q2CC12KN
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50445477
PNG
(CHEMBL3104856)
Show SMILES OCC[C@H]1CN(CC2CCCCC2)CCN1Cc1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C26H36N2O/c29-18-15-26-21-27(19-22-7-3-1-4-8-22)16-17-28(26)20-23-11-13-25(14-12-23)24-9-5-2-6-10-24/h2,5-6,9-14,22,26,29H,1,3-4,7-8,15-21H2/t26-/m0/s1
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3.5n/an/an/an/an/an/an/an/a



University of Greifswald

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain homogenates


Bioorg Med Chem 22: 221-33 (2013)


Article DOI: 10.1016/j.bmc.2013.11.033
BindingDB Entry DOI: 10.7270/Q2SF2XM7
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50445477
PNG
(CHEMBL3104856)
Show SMILES OCC[C@H]1CN(CC2CCCCC2)CCN1Cc1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C26H36N2O/c29-18-15-26-21-27(19-22-7-3-1-4-8-22)16-17-28(26)20-23-11-13-25(14-12-23)24-9-5-2-6-10-24/h2,5-6,9-14,22,26,29H,1,3-4,7-8,15-21H2/t26-/m0/s1
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3.5n/an/an/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain cortex membranes after 120 mins by scintillation counting analysis


J Med Chem 57: 2884-94 (2014)


Article DOI: 10.1021/jm401707t
BindingDB Entry DOI: 10.7270/Q2T15562
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50009301
PNG
(CHEMBL3233528)
Show SMILES OCC[C@H]1CN(CC2CCCCC2)CCN1Cc1ccccc1 |r|
Show InChI InChI=1S/C20H32N2O/c23-14-11-20-17-21(15-18-7-3-1-4-8-18)12-13-22(20)16-19-9-5-2-6-10-19/h2,5-6,9-10,18,20,23H,1,3-4,7-8,11-17H2/t20-/m0/s1
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4.20n/an/an/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain cortex membranes after 120 mins by scintillation counting analysis


J Med Chem 57: 2884-94 (2014)


Article DOI: 10.1021/jm401707t
BindingDB Entry DOI: 10.7270/Q2T15562
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50009305
PNG
(CHEMBL3233532)
Show SMILES OCC[C@H]1CN(CC2CCCCC2)CCN1Cc1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C24H34N2O/c27-15-12-24-19-25(17-20-6-2-1-3-7-20)13-14-26(24)18-21-10-11-22-8-4-5-9-23(22)16-21/h4-5,8-11,16,20,24,27H,1-3,6-7,12-15,17-19H2/t24-/m0/s1
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4.70n/an/an/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain cortex membranes after 120 mins by scintillation counting analysis


J Med Chem 57: 2884-94 (2014)


Article DOI: 10.1021/jm401707t
BindingDB Entry DOI: 10.7270/Q2T15562
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50181301
PNG
(CHEMBL3819395)
Show SMILES [H][C@@]12C[C@H](O)[C@@]([H])(CN1Cc1ccccc1)N(CC1CCCCC1)C2 |r,THB:4:3:16.24:7.8|
Show InChI InChI=1S/C20H30N2O/c23-20-11-18-14-22(13-17-9-5-2-6-10-17)19(20)15-21(18)12-16-7-3-1-4-8-16/h1,3-4,7-8,17-20,23H,2,5-6,9-15H2/t18-,19+,20-/m0/s1
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4.80n/an/an/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-Pentazocine from sigma 1 receptor in guinea pig brain membranes after 120 mins by scintillation counting analysis


J Med Chem 59: 5505-19 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00585
BindingDB Entry DOI: 10.7270/Q2CC12KN
More data for this
Ligand-Target Pair
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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5.40n/an/an/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-Pentazocine from sigma 1 receptor in guinea pig brain membranes after 120 mins by scintillation counting analysis


J Med Chem 59: 5505-19 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00585
BindingDB Entry DOI: 10.7270/Q2CC12KN
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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5.40n/an/an/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain cortex membranes after 120 mins by scintillation counting analysis


J Med Chem 57: 2884-94 (2014)


Article DOI: 10.1021/jm401707t
BindingDB Entry DOI: 10.7270/Q2T15562
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50181297
PNG
(CHEMBL3819489)
Show SMILES [H][C@]12C[C@H](O)[C@]([H])(CN1Cc1ccccc1)N(CC1CCCCC1)C2 |r,THB:4:3:16.24:7.8|
Show InChI InChI=1S/C20H30N2O/c23-20-11-18-14-22(13-17-9-5-2-6-10-17)19(20)15-21(18)12-16-7-3-1-4-8-16/h1,3-4,7-8,17-20,23H,2,5-6,9-15H2/t18-,19+,20+/m1/s1
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5.70n/an/an/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-Pentazocine from sigma 1 receptor in guinea pig brain membranes after 120 mins by scintillation counting analysis


J Med Chem 59: 5505-19 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00585
BindingDB Entry DOI: 10.7270/Q2CC12KN
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50181060
PNG
(CHEMBL3817940)
Show SMILES [H][C@]12C[C@H](O)[C@]([H])(CN1Cc1cccc3ccccc13)N(CC1CCCCC1)C2 |r,THB:4:3:20.28:7.8|
Show InChI InChI=1S/C24H32N2O/c27-24-13-21-16-26(14-18-7-2-1-3-8-18)23(24)17-25(21)15-20-11-6-10-19-9-4-5-12-22(19)20/h4-6,9-12,18,21,23-24,27H,1-3,7-8,13-17H2/t21-,23+,24+/m1/s1
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6n/an/an/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-Pentazocine from sigma 1 receptor in human RPMI8226 cell membranes


J Med Chem 59: 5505-19 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00585
BindingDB Entry DOI: 10.7270/Q2CC12KN
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50181055
PNG
(CHEMBL3819463)
Show SMILES [H][C@]12CN(CC3CCCCC3)[C@]([H])(CN1Cc1ccccc1)[C@@H](O)CC2 |r,TLB:15:14:3.2:22.25.24,23:22:3.2:13.14,4:3:13.14:22.25.24|
Show InChI InChI=1S/C21H32N2O/c24-21-12-11-19-15-23(14-18-9-5-2-6-10-18)20(21)16-22(19)13-17-7-3-1-4-8-17/h1,3-4,7-8,18-21,24H,2,5-6,9-16H2/t19-,20+,21-/m0/s1
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6n/an/an/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-Pentazocine from sigma 1 receptor in guinea pig brain membranes after 120 mins by scintillation counting analysis


J Med Chem 59: 5505-19 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00585
BindingDB Entry DOI: 10.7270/Q2CC12KN
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50181055
PNG
(CHEMBL3819463)
Show SMILES [H][C@]12CN(CC3CCCCC3)[C@]([H])(CN1Cc1ccccc1)[C@@H](O)CC2 |r,TLB:15:14:3.2:22.25.24,23:22:3.2:13.14,4:3:13.14:22.25.24|
Show InChI InChI=1S/C21H32N2O/c24-21-12-11-19-15-23(14-18-9-5-2-6-10-18)20(21)16-22(19)13-17-7-3-1-4-8-17/h1,3-4,7-8,18-21,24H,2,5-6,9-16H2/t19-,20+,21-/m0/s1
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6.40n/an/an/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-Pentazocine from sigma 1 receptor in human RPMI8226 cell membranes


J Med Chem 59: 5505-19 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00585
BindingDB Entry DOI: 10.7270/Q2CC12KN
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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6.60n/an/an/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-Pentazocine from sigma 1 receptor in guinea pig brain membranes after 120 mins by scintillation counting analysis


J Med Chem 59: 5505-19 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00585
BindingDB Entry DOI: 10.7270/Q2CC12KN
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 M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain cortex membranes after 120 mins by scintillation counting analysis


J Med Chem 57: 2884-94 (2014)


Article DOI: 10.1021/jm401707t
BindingDB Entry DOI: 10.7270/Q2T15562
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50009305
PNG
(CHEMBL3233532)
Show SMILES OCC[C@H]1CN(CC2CCCCC2)CCN1Cc1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C24H34N2O/c27-15-12-24-19-25(17-20-6-2-1-3-7-20)13-14-26(24)18-21-10-11-22-8-4-5-9-23(22)16-21/h4-5,8-11,16,20,24,27H,1-3,6-7,12-15,17-19H2/t24-/m0/s1
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6.80n/an/an/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in human RPMI8226 cell membranes after 120 mins by scintillation counting analysis


J Med Chem 57: 2884-94 (2014)


Article DOI: 10.1021/jm401707t
BindingDB Entry DOI: 10.7270/Q2T15562
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50181300
PNG
(CHEMBL3819437)
Show SMILES [H][C@@]12C[C@@H](O)[C@@]([H])(CN1Cc1ccccc1)N(CC1CCCCC1)C2 |r,THB:4:3:16.24:7.8|
Show InChI InChI=1S/C20H30N2O/c23-20-11-18-14-22(13-17-9-5-2-6-10-17)19(20)15-21(18)12-16-7-3-1-4-8-16/h1,3-4,7-8,17-20,23H,2,5-6,9-15H2/t18-,19+,20+/m0/s1
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6.90n/an/an/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-Pentazocine from sigma 1 receptor in guinea pig brain membranes after 120 mins by scintillation counting analysis


J Med Chem 59: 5505-19 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00585
BindingDB Entry DOI: 10.7270/Q2CC12KN
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50181113
PNG
(CHEMBL3818112)
Show SMILES [H][C@@]12C[C@@H](O)[C@@]([H])(CN1Cc1cccc3ccccc13)N(CC1CCCCC1)C2 |r,THB:4:3:20.28:7.8|
Show InChI InChI=1S/C24H32N2O/c27-24-13-21-16-26(14-18-7-2-1-3-8-18)23(24)17-25(21)15-20-11-6-10-19-9-4-5-12-22(19)20/h4-6,9-12,18,21,23-24,27H,1-3,7-8,13-17H2/t21-,23+,24+/m0/s1
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7.10n/an/an/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-Pentazocine from sigma 1 receptor in guinea pig brain membranes after 120 mins by scintillation counting analysis


J Med Chem 59: 5505-19 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00585
BindingDB Entry DOI: 10.7270/Q2CC12KN
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50181113
PNG
(CHEMBL3818112)
Show SMILES [H][C@@]12C[C@@H](O)[C@@]([H])(CN1Cc1cccc3ccccc13)N(CC1CCCCC1)C2 |r,THB:4:3:20.28:7.8|
Show InChI InChI=1S/C24H32N2O/c27-24-13-21-16-26(14-18-7-2-1-3-8-18)23(24)17-25(21)15-20-11-6-10-19-9-4-5-12-22(19)20/h4-6,9-12,18,21,23-24,27H,1-3,7-8,13-17H2/t21-,23+,24+/m0/s1
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7.20n/an/an/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-Pentazocine from sigma 1 receptor in human RPMI8226 cell membranes


J Med Chem 59: 5505-19 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00585
BindingDB Entry DOI: 10.7270/Q2CC12KN
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50009304
PNG
(CHEMBL3233531)
Show SMILES OCC[C@@H]1CN(CC2CCCCC2)CCN1Cc1cccc2ccccc12 |r|
Show InChI InChI=1S/C24H34N2O/c27-16-13-23-19-25(17-20-7-2-1-3-8-20)14-15-26(23)18-22-11-6-10-21-9-4-5-12-24(21)22/h4-6,9-12,20,23,27H,1-3,7-8,13-19H2/t23-/m1/s1
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7.5n/an/an/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in human RPMI8226 cell membranes after 120 mins by scintillation counting analysis


J Med Chem 57: 2884-94 (2014)


Article DOI: 10.1021/jm401707t
BindingDB Entry DOI: 10.7270/Q2T15562
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50445476
PNG
(CHEMBL3104857)
Show SMILES OCC[C@@H]1CN(CC2CCCCC2)CCN1Cc1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C26H36N2O/c29-18-15-26-21-27(19-22-7-3-1-4-8-22)16-17-28(26)20-23-11-13-25(14-12-23)24-9-5-2-6-10-24/h2,5-6,9-14,22,26,29H,1,3-4,7-8,15-21H2/t26-/m1/s1
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7.80n/an/an/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain cortex membranes after 120 mins by scintillation counting analysis


J Med Chem 57: 2884-94 (2014)


Article DOI: 10.1021/jm401707t
BindingDB Entry DOI: 10.7270/Q2T15562
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50445476
PNG
(CHEMBL3104857)
Show SMILES OCC[C@@H]1CN(CC2CCCCC2)CCN1Cc1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C26H36N2O/c29-18-15-26-21-27(19-22-7-3-1-4-8-22)16-17-28(26)20-23-11-13-25(14-12-23)24-9-5-2-6-10-24/h2,5-6,9-14,22,26,29H,1,3-4,7-8,15-21H2/t26-/m1/s1
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7.80n/an/an/an/an/an/an/an/a



University of Greifswald

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain homogenates


Bioorg Med Chem 22: 221-33 (2013)


Article DOI: 10.1016/j.bmc.2013.11.033
BindingDB Entry DOI: 10.7270/Q2SF2XM7
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50181130
PNG
(CHEMBL3818532)
Show SMILES [H][C@@]12C[C@H](O)[C@@]([H])(CN1Cc1cccc3ccccc13)N(CC1CCCCC1)C2 |r,THB:4:3:20.28:7.8|
Show InChI InChI=1S/C24H32N2O/c27-24-13-21-16-26(14-18-7-2-1-3-8-18)23(24)17-25(21)15-20-11-6-10-19-9-4-5-12-22(19)20/h4-6,9-12,18,21,23-24,27H,1-3,7-8,13-17H2/t21-,23+,24-/m0/s1
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8n/an/an/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-Pentazocine from sigma 1 receptor in guinea pig brain membranes after 120 mins by scintillation counting analysis


J Med Chem 59: 5505-19 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00585
BindingDB Entry DOI: 10.7270/Q2CC12KN
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50181059
PNG
(CHEMBL3819588)
Show SMILES [H][C@@]12C[C@H](O)[C@@]([H])(CN1Cc1ccc(cc1)-c1ccccc1)N(CC1CCCCC1)C2 |r,THB:4:3:22.30:7.8|
Show InChI InChI=1S/C26H34N2O/c29-26-15-24-18-28(17-20-7-3-1-4-8-20)25(26)19-27(24)16-21-11-13-23(14-12-21)22-9-5-2-6-10-22/h2,5-6,9-14,20,24-26,29H,1,3-4,7-8,15-19H2/t24-,25+,26-/m0/s1
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8.70n/an/an/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-Pentazocine from sigma 1 receptor in guinea pig brain membranes after 120 mins by scintillation counting analysis


J Med Chem 59: 5505-19 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00585
BindingDB Entry DOI: 10.7270/Q2CC12KN
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50181057
PNG
(CHEMBL3819457)
Show SMILES [H][C@]12C[C@@H](O)[C@]([H])(CN1Cc1ccc(cc1)-c1ccccc1)N(CC1CCCCC1)C2 |r,THB:4:3:22.30:7.8|
Show InChI InChI=1S/C26H34N2O/c29-26-15-24-18-28(17-20-7-3-1-4-8-20)25(26)19-27(24)16-21-11-13-23(14-12-21)22-9-5-2-6-10-22/h2,5-6,9-14,20,24-26,29H,1,3-4,7-8,15-19H2/t24-,25+,26-/m1/s1
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11n/an/an/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-Pentazocine from sigma 1 receptor in guinea pig brain membranes after 120 mins by scintillation counting analysis


J Med Chem 59: 5505-19 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00585
BindingDB Entry DOI: 10.7270/Q2CC12KN
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50181056
PNG
(CHEMBL3818546)
Show SMILES [H][C@]12C[C@H](O)[C@]([H])(CN1Cc1ccc(cc1)-c1ccccc1)N(CC1CCCCC1)C2 |r,THB:4:3:22.30:7.8|
Show InChI InChI=1S/C26H34N2O/c29-26-15-24-18-28(17-20-7-3-1-4-8-20)25(26)19-27(24)16-21-11-13-23(14-12-21)22-9-5-2-6-10-22/h2,5-6,9-14,20,24-26,29H,1,3-4,7-8,15-19H2/t24-,25+,26+/m1/s1
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11n/an/an/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-Pentazocine from sigma 1 receptor in guinea pig brain membranes after 120 mins by scintillation counting analysis


J Med Chem 59: 5505-19 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00585
BindingDB Entry DOI: 10.7270/Q2CC12KN
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50257493
PNG
((R)-(1-benzyl-4-(4-methoxybenzyl)piperazin-2-yl)me...)
Show SMILES COc1ccc(CN2CCN(Cc3ccccc3)[C@@H](CO)C2)cc1 |r|
Show InChI InChI=1S/C20H26N2O2/c1-24-20-9-7-18(8-10-20)13-21-11-12-22(19(15-21)16-23)14-17-5-3-2-4-6-17/h2-10,19,23H,11-16H2,1H3/t19-/m1/s1
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12n/an/an/an/an/an/an/an/a



University of Greifswald

Curated by ChEMBL


Assay Description
Binding affinity to sigma-1 receptor in guinea pig brain homogenates


Bioorg Med Chem 22: 221-33 (2013)


Article DOI: 10.1016/j.bmc.2013.11.033
BindingDB Entry DOI: 10.7270/Q2SF2XM7
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50048866
PNG
(1-Cyclohexyl-4-[3-(5-methoxy-1,2,3,4-tetrahydro-na...)
Show SMILES COc1cccc2C(CCCN3CCN(CC3)C3CCCCC3)CCCc12
Show InChI InChI=1S/C24H38N2O/c1-27-24-14-6-12-22-20(8-5-13-23(22)24)9-7-15-25-16-18-26(19-17-25)21-10-3-2-4-11-21/h6,12,14,20-21H,2-5,7-11,13,15-19H2,1H3
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13n/an/an/an/an/an/an/an/a



University of Greifswald

Curated by ChEMBL


Assay Description
Binding affinity to sigma-1 receptor in human MCF7 cells


Bioorg Med Chem 22: 221-33 (2013)


Article DOI: 10.1016/j.bmc.2013.11.033
BindingDB Entry DOI: 10.7270/Q2SF2XM7
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50181130
PNG
(CHEMBL3818532)
Show SMILES [H][C@@]12C[C@H](O)[C@@]([H])(CN1Cc1cccc3ccccc13)N(CC1CCCCC1)C2 |r,THB:4:3:20.28:7.8|
Show InChI InChI=1S/C24H32N2O/c27-24-13-21-16-26(14-18-7-2-1-3-8-18)23(24)17-25(21)15-20-11-6-10-19-9-4-5-12-22(19)20/h4-6,9-12,18,21,23-24,27H,1-3,7-8,13-17H2/t21-,23+,24-/m0/s1
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13n/an/an/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-Pentazocine from sigma 1 receptor in human RPMI8226 cell membranes


J Med Chem 59: 5505-19 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00585
BindingDB Entry DOI: 10.7270/Q2CC12KN
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50181061
PNG
(CHEMBL3819557)
Show SMILES [H][C@]12C[C@@H](O)[C@]([H])(CN1Cc1cccc3ccccc13)N(CC1CCCCC1)C2 |r,THB:4:3:20.28:7.8|
Show InChI InChI=1S/C24H32N2O/c27-24-13-21-16-26(14-18-7-2-1-3-8-18)23(24)17-25(21)15-20-11-6-10-19-9-4-5-12-22(19)20/h4-6,9-12,18,21,23-24,27H,1-3,7-8,13-17H2/t21-,23+,24-/m1/s1
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14n/an/an/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-Pentazocine from sigma 1 receptor in guinea pig brain membranes after 120 mins by scintillation counting analysis


J Med Chem 59: 5505-19 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00585
BindingDB Entry DOI: 10.7270/Q2CC12KN
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50009301
PNG
(CHEMBL3233528)
Show SMILES OCC[C@H]1CN(CC2CCCCC2)CCN1Cc1ccccc1 |r|
Show InChI InChI=1S/C20H32N2O/c23-14-11-20-17-21(15-18-7-3-1-4-8-18)12-13-22(20)16-19-9-5-2-6-10-19/h2,5-6,9-10,18,20,23H,1,3-4,7-8,11-17H2/t20-/m0/s1
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21n/an/an/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in human RPMI8226 cell membranes after 120 mins by scintillation counting analysis


J Med Chem 57: 2884-94 (2014)


Article DOI: 10.1021/jm401707t
BindingDB Entry DOI: 10.7270/Q2T15562
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50181299
PNG
(CHEMBL3819331)
Show SMILES [H][C@]12C[C@@H](O)[C@]([H])(CN1Cc1ccccc1)N(CC1CCCCC1)C2 |r,THB:4:3:16.24:7.8|
Show InChI InChI=1S/C20H30N2O/c23-20-11-18-14-22(13-17-9-5-2-6-10-17)19(20)15-21(18)12-16-7-3-1-4-8-16/h1,3-4,7-8,17-20,23H,2,5-6,9-15H2/t18-,19+,20-/m1/s1
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23n/an/an/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-Pentazocine from sigma 1 receptor in guinea pig brain membranes after 120 mins by scintillation counting analysis


J Med Chem 59: 5505-19 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00585
BindingDB Entry DOI: 10.7270/Q2CC12KN
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50181058
PNG
(CHEMBL3818045)
Show SMILES [H][C@@]12C[C@@H](O)[C@@]([H])(CN1Cc1ccc(cc1)-c1ccccc1)N(CC1CCCCC1)C2 |r,THB:4:3:22.30:7.8|
Show InChI InChI=1S/C26H34N2O/c29-26-15-24-18-28(17-20-7-3-1-4-8-20)25(26)19-27(24)16-21-11-13-23(14-12-21)22-9-5-2-6-10-22/h2,5-6,9-14,20,24-26,29H,1,3-4,7-8,15-19H2/t24-,25+,26+/m0/s1
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23n/an/an/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-Pentazocine from sigma 1 receptor in guinea pig brain membranes after 120 mins by scintillation counting analysis


J Med Chem 59: 5505-19 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00585
BindingDB Entry DOI: 10.7270/Q2CC12KN
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50009302
PNG
(CHEMBL3233529)
Show SMILES OCC[C@@H]1CN(CC2CCCCC2)CCN1Cc1ccccc1 |r|
Show InChI InChI=1S/C20H32N2O/c23-14-11-20-17-21(15-18-7-3-1-4-8-18)12-13-22(20)16-19-9-5-2-6-10-19/h2,5-6,9-10,18,20,23H,1,3-4,7-8,11-17H2/t20-/m1/s1
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23n/an/an/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in human RPMI8226 cell membranes after 120 mins by scintillation counting analysis


J Med Chem 57: 2884-94 (2014)


Article DOI: 10.1021/jm401707t
BindingDB Entry DOI: 10.7270/Q2T15562
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50181056
PNG
(CHEMBL3818546)
Show SMILES [H][C@]12C[C@H](O)[C@]([H])(CN1Cc1ccc(cc1)-c1ccccc1)N(CC1CCCCC1)C2 |r,THB:4:3:22.30:7.8|
Show InChI InChI=1S/C26H34N2O/c29-26-15-24-18-28(17-20-7-3-1-4-8-20)25(26)19-27(24)16-21-11-13-23(14-12-21)22-9-5-2-6-10-22/h2,5-6,9-14,20,24-26,29H,1,3-4,7-8,15-19H2/t24-,25+,26+/m1/s1
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24n/an/an/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-Pentazocine from sigma 1 receptor in human RPMI8226 cell membranes


J Med Chem 59: 5505-19 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00585
BindingDB Entry DOI: 10.7270/Q2CC12KN
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50009306
PNG
(CHEMBL3233533)
Show SMILES COc1ccc2cc(CN3CCN(CC4CCCCC4)C[C@@H]3CCO)ccc2c1 |r|
Show InChI InChI=1S/C25H36N2O2/c1-29-25-10-9-22-15-21(7-8-23(22)16-25)18-27-13-12-26(19-24(27)11-14-28)17-20-5-3-2-4-6-20/h7-10,15-16,20,24,28H,2-6,11-14,17-19H2,1H3/t24-/m0/s1
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27n/an/an/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in human RPMI8226 cell membranes after 120 mins by scintillation counting analysis


J Med Chem 57: 2884-94 (2014)


Article DOI: 10.1021/jm401707t
BindingDB Entry DOI: 10.7270/Q2T15562
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50181059
PNG
(CHEMBL3819588)
Show SMILES [H][C@@]12C[C@H](O)[C@@]([H])(CN1Cc1ccc(cc1)-c1ccccc1)N(CC1CCCCC1)C2 |r,THB:4:3:22.30:7.8|
Show InChI InChI=1S/C26H34N2O/c29-26-15-24-18-28(17-20-7-3-1-4-8-20)25(26)19-27(24)16-21-11-13-23(14-12-21)22-9-5-2-6-10-22/h2,5-6,9-14,20,24-26,29H,1,3-4,7-8,15-19H2/t24-,25+,26-/m0/s1
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27n/an/an/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-Pentazocine from sigma 1 receptor in human RPMI8226 cell membranes


J Med Chem 59: 5505-19 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00585
BindingDB Entry DOI: 10.7270/Q2CC12KN
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50181057
PNG
(CHEMBL3819457)
Show SMILES [H][C@]12C[C@@H](O)[C@]([H])(CN1Cc1ccc(cc1)-c1ccccc1)N(CC1CCCCC1)C2 |r,THB:4:3:22.30:7.8|
Show InChI InChI=1S/C26H34N2O/c29-26-15-24-18-28(17-20-7-3-1-4-8-20)25(26)19-27(24)16-21-11-13-23(14-12-21)22-9-5-2-6-10-22/h2,5-6,9-14,20,24-26,29H,1,3-4,7-8,15-19H2/t24-,25+,26-/m1/s1
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27n/an/an/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-Pentazocine from sigma 1 receptor in human RPMI8226 cell membranes


J Med Chem 59: 5505-19 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00585
BindingDB Entry DOI: 10.7270/Q2CC12KN
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50009303
PNG
(CHEMBL3233530)
Show SMILES OCC[C@H]1CN(CC2CCCCC2)CCN1Cc1cccc2ccccc12 |r|
Show InChI InChI=1S/C24H34N2O/c27-16-13-23-19-25(17-20-7-2-1-3-8-20)14-15-26(23)18-22-11-6-10-21-9-4-5-12-24(21)22/h4-6,9-12,20,23,27H,1-3,7-8,13-19H2/t23-/m0/s1
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29n/an/an/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in human RPMI8226 cell membranes after 120 mins by scintillation counting analysis


J Med Chem 57: 2884-94 (2014)


Article DOI: 10.1021/jm401707t
BindingDB Entry DOI: 10.7270/Q2T15562
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50445476
PNG
(CHEMBL3104857)
Show SMILES OCC[C@@H]1CN(CC2CCCCC2)CCN1Cc1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C26H36N2O/c29-18-15-26-21-27(19-22-7-3-1-4-8-22)16-17-28(26)20-23-11-13-25(14-12-23)24-9-5-2-6-10-24/h2,5-6,9-14,22,26,29H,1,3-4,7-8,15-21H2/t26-/m1/s1
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29n/an/an/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in human RPMI8226 cell membranes after 120 mins by scintillation counting analysis


J Med Chem 57: 2884-94 (2014)


Article DOI: 10.1021/jm401707t
BindingDB Entry DOI: 10.7270/Q2T15562
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50445476
PNG
(CHEMBL3104857)
Show SMILES OCC[C@@H]1CN(CC2CCCCC2)CCN1Cc1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C26H36N2O/c29-18-15-26-21-27(19-22-7-3-1-4-8-22)16-17-28(26)20-23-11-13-25(14-12-23)24-9-5-2-6-10-24/h2,5-6,9-14,22,26,29H,1,3-4,7-8,15-21H2/t26-/m1/s1
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29n/an/an/an/an/an/an/an/a



University of Greifswald

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in human RPMI8226 cells


Bioorg Med Chem 22: 221-33 (2013)


Article DOI: 10.1016/j.bmc.2013.11.033
BindingDB Entry DOI: 10.7270/Q2SF2XM7
More data for this
Ligand-Target Pair
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