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Patent code US10421750

Compile Data Set for Download or QSAR
Found 47 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM413911
PNG
(5-(1-isopentylpiperidin-4-yl)-7-(4- methoxybenzyl)...)
Show SMILES COc1ccc(CN2CC(OC3(CC3)C2)C2CCN(CCC(C)C)CC2)cc1
Show InChI InChI=1S/C24H38N2O2/c1-19(2)8-13-25-14-9-21(10-15-25)23-17-26(18-24(28-23)11-12-24)16-20-4-6-22(27-3)7-5-20/h4-7,19,21,23H,8-18H2,1-3H3
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<100n/an/an/an/an/an/an/an/a



ESTEVE PHARMACEUTICALS, S.A.

US Patent


Assay Description
To investigate binding properties of test compounds to human σ1 receptor, transfected HEK-293 membranes and [3H](+)-pentazocine (Perkin Elmer, N...


US Patent US10421750 (2019)


BindingDB Entry DOI: 10.7270/Q2TB197R
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM413909
PNG
(5-(1-benzylazetidin-3-yl)-7-phenyl- 4-oxa-7-azaspi...)
Show SMILES O=C1N(CC(OC11CC1)C1CN(Cc2ccccc2)C1)c1ccccc1
Show InChI InChI=1S/C22H24N2O2/c25-21-22(11-12-22)26-20(16-24(21)19-9-5-2-6-10-19)18-14-23(15-18)13-17-7-3-1-4-8-17/h1-10,18,20H,11-16H2
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<100n/an/an/an/an/an/an/an/a



ESTEVE PHARMACEUTICALS, S.A.

US Patent


Assay Description
To investigate binding properties of test compounds to human σ1 receptor, transfected HEK-293 membranes and [3H](+)-pentazocine (Perkin Elmer, N...


US Patent US10421750 (2019)


BindingDB Entry DOI: 10.7270/Q2TB197R
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM413913
PNG
(2-(1-benzylpiperidin-4-yl)-4-(4- methoxybenzyl)mor...)
Show SMILES COc1ccc(CN2CCOC(C2)C2CCN(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C24H32N2O2/c1-27-23-9-7-21(8-10-23)18-26-15-16-28-24(19-26)22-11-13-25(14-12-22)17-20-5-3-2-4-6-20/h2-10,22,24H,11-19H2,1H3
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<100n/an/an/an/an/an/an/an/a



ESTEVE PHARMACEUTICALS, S.A.

US Patent


Assay Description
To investigate binding properties of test compounds to human σ1 receptor, transfected HEK-293 membranes and [3H](+)-pentazocine (Perkin Elmer, N...


US Patent US10421750 (2019)


BindingDB Entry DOI: 10.7270/Q2TB197R
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM413905
PNG
(6-(1-benzylpiperidin-4-yl)-4- ethylmorpholin-3-one...)
Show SMILES CCN1CC(OCC1=O)C1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C18H26N2O2/c1-2-20-13-17(22-14-18(20)21)16-8-10-19(11-9-16)12-15-6-4-3-5-7-15/h3-7,16-17H,2,8-14H2,1H3
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<100n/an/an/an/an/an/an/an/a



ESTEVE PHARMACEUTICALS, S.A.

US Patent


Assay Description
To investigate binding properties of test compounds to human σ1 receptor, transfected HEK-293 membranes and [3H](+)-pentazocine (Perkin Elmer, N...


US Patent US10421750 (2019)


BindingDB Entry DOI: 10.7270/Q2TB197R
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM413872
PNG
((5-(1-benzylpiperidin-4-yl)-4-oxa-7- azaspiro[2.5]...)
Show SMILES O=C(N1CC(OC2(CC2)C1)C1CCN(Cc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C25H30N2O2/c28-24(22-9-5-2-6-10-22)27-18-23(29-25(19-27)13-14-25)21-11-15-26(16-12-21)17-20-7-3-1-4-8-20/h1-10,21,23H,11-19H2
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<100n/an/an/an/an/an/an/an/a



ESTEVE PHARMACEUTICALS, S.A.

US Patent


Assay Description
To investigate binding properties of test compounds to human σ1 receptor, transfected HEK-293 membranes and [3H](+)-pentazocine (Perkin Elmer, N...


US Patent US10421750 (2019)


BindingDB Entry DOI: 10.7270/Q2TB197R
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM413914
PNG
(2-(1-benzylpiperidin-4-yl)-4- ethylmorpholine | US...)
Show SMILES CCN1CCOC(C1)C1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C18H28N2O/c1-2-19-12-13-21-18(15-19)17-8-10-20(11-9-17)14-16-6-4-3-5-7-16/h3-7,17-18H,2,8-15H2,1H3
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<100n/an/an/an/an/an/an/an/a



ESTEVE PHARMACEUTICALS, S.A.

US Patent


Assay Description
To investigate binding properties of test compounds to human σ1 receptor, transfected HEK-293 membranes and [3H](+)-pentazocine (Perkin Elmer, N...


US Patent US10421750 (2019)


BindingDB Entry DOI: 10.7270/Q2TB197R
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM413873
PNG
(5-(1-benzylpiperidin-4-yl)-7-ethyl-4- oxa-7-azaspi...)
Show SMILES CCN1CC(OC2(CC2)C1=O)C1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C20H28N2O2/c1-2-22-15-18(24-20(10-11-20)19(22)23)17-8-12-21(13-9-17)14-16-6-4-3-5-7-16/h3-7,17-18H,2,8-15H2,1H3
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<100n/an/an/an/an/an/an/an/a



ESTEVE PHARMACEUTICALS, S.A.

US Patent


Assay Description
To investigate binding properties of test compounds to human σ1 receptor, transfected HEK-293 membranes and [3H](+)-pentazocine (Perkin Elmer, N...


US Patent US10421750 (2019)


BindingDB Entry DOI: 10.7270/Q2TB197R
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM413882
PNG
(5-(1-benzylpiperidin-4-yl)-7-ethyl-4- oxa-7-azaspi...)
Show SMILES CCN1CC(OC2(CC2)C1)C1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C20H30N2O/c1-2-21-15-19(23-20(16-21)10-11-20)18-8-12-22(13-9-18)14-17-6-4-3-5-7-17/h3-7,18-19H,2,8-16H2,1H3
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<100n/an/an/an/an/an/an/an/a



ESTEVE PHARMACEUTICALS, S.A.

US Patent


Assay Description
To investigate binding properties of test compounds to human σ1 receptor, transfected HEK-293 membranes and [3H](+)-pentazocine (Perkin Elmer, N...


US Patent US10421750 (2019)


BindingDB Entry DOI: 10.7270/Q2TB197R
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM413915
PNG
((5-(1-Isopentylpiperidin-4-yl)-4- oxa-7-azaspiro[2...)
Show SMILES CC(C)CCN1CCC(CC1)C1CN(CC2(CC2)O1)C(=O)c1ccccc1
Show InChI InChI=1S/C23H34N2O2/c1-18(2)8-13-24-14-9-19(10-15-24)21-16-25(17-23(27-21)11-12-23)22(26)20-6-4-3-5-7-20/h3-7,18-19,21H,8-17H2,1-2H3
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<100n/an/an/an/an/an/an/an/a



ESTEVE PHARMACEUTICALS, S.A.

US Patent


Assay Description
To investigate binding properties of test compounds to human σ1 receptor, transfected HEK-293 membranes and [3H](+)-pentazocine (Perkin Elmer, N...


US Patent US10421750 (2019)


BindingDB Entry DOI: 10.7270/Q2TB197R
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM413880
PNG
(5-(1-benzylpiperidin-4-yl)-7-(4- methoxybenzyl)-4-...)
Show SMILES COc1ccc(CN2CC(OC3(CC3)C2)C2CCN(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C26H34N2O2/c1-29-24-9-7-22(8-10-24)18-28-19-25(30-26(20-28)13-14-26)23-11-15-27(16-12-23)17-21-5-3-2-4-6-21/h2-10,23,25H,11-20H2,1H3
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<100n/an/an/an/an/an/an/an/a



ESTEVE PHARMACEUTICALS, S.A.

US Patent


Assay Description
To investigate binding properties of test compounds to human σ1 receptor, transfected HEK-293 membranes and [3H](+)-pentazocine (Perkin Elmer, N...


US Patent US10421750 (2019)


BindingDB Entry DOI: 10.7270/Q2TB197R
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM413906
PNG
(5-(1-benzylazetidin-3-yl)-7-ethyl-4- oxa-7-azaspir...)
Show SMILES CCN1CC(OC2(CC2)C1=O)C1CN(Cc2ccccc2)C1
Show InChI InChI=1S/C18H24N2O2/c1-2-20-13-16(22-18(8-9-18)17(20)21)15-11-19(12-15)10-14-6-4-3-5-7-14/h3-7,15-16H,2,8-13H2,1H3
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<500n/an/an/an/an/an/an/an/a



ESTEVE PHARMACEUTICALS, S.A.

US Patent


Assay Description
To investigate binding properties of test compounds to human σ1 receptor, transfected HEK-293 membranes and [3H](+)-pentazocine (Perkin Elmer, N...


US Patent US10421750 (2019)


BindingDB Entry DOI: 10.7270/Q2TB197R
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM413870
PNG
((5-(1-phenethylpiperidin-4-yl)-4-oxa-7- azaspiro[2...)
Show SMILES O=C(N1CC(OC2(CC2)C1)C1CCN(CCc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C26H32N2O2/c29-25(23-9-5-2-6-10-23)28-19-24(30-26(20-28)14-15-26)22-12-17-27(18-13-22)16-11-21-7-3-1-4-8-21/h1-10,22,24H,11-20H2
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<500n/an/an/an/an/an/an/an/a



ESTEVE PHARMACEUTICALS, S.A.

US Patent


Assay Description
To investigate binding properties of test compounds to human σ1 receptor, transfected HEK-293 membranes and [3H](+)-pentazocine (Perkin Elmer, N...


US Patent US10421750 (2019)


BindingDB Entry DOI: 10.7270/Q2TB197R
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM413885
PNG
(6-(1-benzylpiperidin-4-yl)-4-(4- methoxybenzyl)mor...)
Show SMILES COc1ccc(CN2CC(OCC2=O)C2CCN(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C24H30N2O3/c1-28-22-9-7-20(8-10-22)16-26-17-23(29-18-24(26)27)21-11-13-25(14-12-21)15-19-5-3-2-4-6-19/h2-10,21,23H,11-18H2,1H3
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<500n/an/an/an/an/an/an/an/a



ESTEVE PHARMACEUTICALS, S.A.

US Patent


Assay Description
To investigate binding properties of test compounds to human σ1 receptor, transfected HEK-293 membranes and [3H](+)-pentazocine (Perkin Elmer, N...


US Patent US10421750 (2019)


BindingDB Entry DOI: 10.7270/Q2TB197R
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM413895
PNG
(4-((4-((2R,6S)-4-ethyl-6-methyl-5- oxomorpholin-2-...)
Show SMILES CCN1C[C@H](O[C@@H](C)C1=O)C1CCN(Cc2ccc(cc2)C#N)CC1
Show InChI InChI=1S/C20H27N3O2/c1-3-23-14-19(25-15(2)20(23)24)18-8-10-22(11-9-18)13-17-6-4-16(12-21)5-7-17/h4-7,15,18-19H,3,8-11,13-14H2,1-2H3/t15-,19-/m0/s1
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>500n/an/an/an/an/an/an/an/a



ESTEVE PHARMACEUTICALS, S.A.

US Patent


Assay Description
To investigate binding properties of test compounds to human σ1 receptor, transfected HEK-293 membranes and [3H](+)-pentazocine (Perkin Elmer, N...


US Patent US10421750 (2019)


BindingDB Entry DOI: 10.7270/Q2TB197R
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM413900
PNG
(4-((4-(7-ethyl-8-oxo-4-oxa-7- azaspiro[2.5]octan-5...)
Show SMILES CCN1CC(OC2(CC2)C1=O)C1CCN(Cc2ccc(cc2)C#N)CC1
Show InChI InChI=1S/C21H27N3O2/c1-2-24-15-19(26-21(9-10-21)20(24)25)18-7-11-23(12-8-18)14-17-5-3-16(13-22)4-6-17/h3-6,18-19H,2,7-12,14-15H2,1H3
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>500n/an/an/an/an/an/an/an/a



ESTEVE PHARMACEUTICALS, S.A.

US Patent


Assay Description
To investigate binding properties of test compounds to human σ1 receptor, transfected HEK-293 membranes and [3H](+)-pentazocine (Perkin Elmer, N...


US Patent US10421750 (2019)


BindingDB Entry DOI: 10.7270/Q2TB197R
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM413901
PNG
(5-(1-benzylpiperidin-4-yl)-7- isopropyl-4-oxa-7- a...)
Show SMILES CC(C)N1CC(OC2(CC2)C1=O)C1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C21H30N2O2/c1-16(2)23-15-19(25-21(10-11-21)20(23)24)18-8-12-22(13-9-18)14-17-6-4-3-5-7-17/h3-7,16,18-19H,8-15H2,1-2H3
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ESTEVE PHARMACEUTICALS, S.A.

US Patent


Assay Description
To investigate binding properties of test compounds to human σ1 receptor, transfected HEK-293 membranes and [3H](+)-pentazocine (Perkin Elmer, N...


US Patent US10421750 (2019)


BindingDB Entry DOI: 10.7270/Q2TB197R
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM413910
PNG
(5-(1-isobutylpiperidin-4-yl)-7-(4- methoxybenzyl)-...)
Show SMILES COc1ccc(CN2CC(OC3(CC3)C2)C2CCN(CC(C)C)CC2)cc1
Show InChI InChI=1S/C23H36N2O2/c1-18(2)14-24-12-8-20(9-13-24)22-16-25(17-23(27-22)10-11-23)15-19-4-6-21(26-3)7-5-19/h4-7,18,20,22H,8-17H2,1-3H3
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<500n/an/an/an/an/an/an/an/a



ESTEVE PHARMACEUTICALS, S.A.

US Patent


Assay Description
To investigate binding properties of test compounds to human σ1 receptor, transfected HEK-293 membranes and [3H](+)-pentazocine (Perkin Elmer, N...


US Patent US10421750 (2019)


BindingDB Entry DOI: 10.7270/Q2TB197R
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM413884
PNG
(5-(1-isopentylpiperidin-4-yl)-7-(4- methoxybenzyl)...)
Show SMILES COc1ccc(CN2CC(OC3(CC3)C2=O)C2CCN(CCC(C)C)CC2)cc1
Show InChI InChI=1S/C24H36N2O3/c1-18(2)8-13-25-14-9-20(10-15-25)22-17-26(23(27)24(29-22)11-12-24)16-19-4-6-21(28-3)7-5-19/h4-7,18,20,22H,8-17H2,1-3H3
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<500n/an/an/an/an/an/an/an/a



ESTEVE PHARMACEUTICALS, S.A.

US Patent


Assay Description
To investigate binding properties of test compounds to human σ1 receptor, transfected HEK-293 membranes and [3H](+)-pentazocine (Perkin Elmer, N...


US Patent US10421750 (2019)


BindingDB Entry DOI: 10.7270/Q2TB197R
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM413899
PNG
(7-ethyl-5-(1-(4- fluorobenzyl)piperidin-4-yl)4-oxa...)
Show SMILES CCN1CC(OC2(CC2)C1=O)C1CCN(Cc2ccc(F)cc2)CC1
Show InChI InChI=1S/C20H27FN2O2/c1-2-23-14-18(25-20(9-10-20)19(23)24)16-7-11-22(12-8-16)13-15-3-5-17(21)6-4-15/h3-6,16,18H,2,7-14H2,1H3
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>500n/an/an/an/an/an/an/an/a



ESTEVE PHARMACEUTICALS, S.A.

US Patent


Assay Description
To investigate binding properties of test compounds to human σ1 receptor, transfected HEK-293 membranes and [3H](+)-pentazocine (Perkin Elmer, N...


US Patent US10421750 (2019)


BindingDB Entry DOI: 10.7270/Q2TB197R
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM413877
PNG
(5-(1-phenethylpiperidin-4-yl)-7- phenyl-4-oxa-7-az...)
Show SMILES O=C1N(CC(OC11CC1)C1CCN(CCc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C25H30N2O2/c28-24-25(14-15-25)29-23(19-27(24)22-9-5-2-6-10-22)21-12-17-26(18-13-21)16-11-20-7-3-1-4-8-20/h1-10,21,23H,11-19H2
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ESTEVE PHARMACEUTICALS, S.A.

US Patent


Assay Description
To investigate binding properties of test compounds to human σ1 receptor, transfected HEK-293 membranes and [3H](+)-pentazocine (Perkin Elmer, N...


US Patent US10421750 (2019)


BindingDB Entry DOI: 10.7270/Q2TB197R
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM413888
PNG
((2S,6S)-6-(1-benzylpiperidin-4-yl)- 4-ethyl-2-meth...)
Show SMILES CCN1C[C@@H](O[C@@H](C)C1=O)C1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C19H28N2O2/c1-3-21-14-18(23-15(2)19(21)22)17-9-11-20(12-10-17)13-16-7-5-4-6-8-16/h4-8,15,17-18H,3,9-14H2,1-2H3/t15-,18+/m0/s1
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US Patent
>500n/an/an/an/an/an/an/an/a



ESTEVE PHARMACEUTICALS, S.A.

US Patent


Assay Description
To investigate binding properties of test compounds to human σ1 receptor, transfected HEK-293 membranes and [3H](+)-pentazocine (Perkin Elmer, N...


US Patent US10421750 (2019)


BindingDB Entry DOI: 10.7270/Q2TB197R
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM413908
PNG
(5-(1-isopentylpiperidin-4-yl)-7- phenyl-4-oxa-7- a...)
Show SMILES CC(C)CCN1CCC(CC1)C1CN(C(=O)C2(CC2)O1)c1ccccc1
Show InChI InChI=1S/C22H32N2O2/c1-17(2)8-13-23-14-9-18(10-15-23)20-16-24(19-6-4-3-5-7-19)21(25)22(26-20)11-12-22/h3-7,17-18,20H,8-16H2,1-2H3
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<500n/an/an/an/an/an/an/an/a



ESTEVE PHARMACEUTICALS, S.A.

US Patent


Assay Description
To investigate binding properties of test compounds to human σ1 receptor, transfected HEK-293 membranes and [3H](+)-pentazocine (Perkin Elmer, N...


US Patent US10421750 (2019)


BindingDB Entry DOI: 10.7270/Q2TB197R
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM413881
PNG
(7-(4-methoxybenzyl)-5-(1- phenethylpiperidin-4-yl)...)
Show SMILES COc1ccc(CN2CC(OC3(CC3)C2)C2CCN(CCc3ccccc3)CC2)cc1
Show InChI InChI=1S/C27H36N2O2/c1-30-25-9-7-23(8-10-25)19-29-20-26(31-27(21-29)14-15-27)24-12-17-28(18-13-24)16-11-22-5-3-2-4-6-22/h2-10,24,26H,11-21H2,1H3
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>500n/an/an/an/an/an/an/an/a



ESTEVE PHARMACEUTICALS, S.A.

US Patent


Assay Description
To investigate binding properties of test compounds to human σ1 receptor, transfected HEK-293 membranes and [3H](+)-pentazocine (Perkin Elmer, N...


US Patent US10421750 (2019)


BindingDB Entry DOI: 10.7270/Q2TB197R
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM413893
PNG
((2R,6R)-4-ethyl-6-(1-(4- fluorobenzyl)piperidin-4-...)
Show SMILES CCN1C[C@H](O[C@H](C)C1=O)C1CCN(Cc2ccc(F)cc2)CC1
Show InChI InChI=1S/C19H27FN2O2/c1-3-22-13-18(24-14(2)19(22)23)16-8-10-21(11-9-16)12-15-4-6-17(20)7-5-15/h4-7,14,16,18H,3,8-13H2,1-2H3/t14-,18+/m1/s1
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>500n/an/an/an/an/an/an/an/a



ESTEVE PHARMACEUTICALS, S.A.

US Patent


Assay Description
To investigate binding properties of test compounds to human σ1 receptor, transfected HEK-293 membranes and [3H](+)-pentazocine (Perkin Elmer, N...


US Patent US10421750 (2019)


BindingDB Entry DOI: 10.7270/Q2TB197R
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM413903
PNG
(4-((4-(7-isopropyl-8-oxo-4-oxa,7- azaspiro[2.5]oct...)
Show SMILES CC(C)N1CC(OC2(CC2)C1=O)C1CCN(Cc2ccc(cc2)C#N)CC1
Show InChI InChI=1S/C22H29N3O2/c1-16(2)25-15-20(27-22(9-10-22)21(25)26)19-7-11-24(12-8-19)14-18-5-3-17(13-23)4-6-18/h3-6,16,19-20H,7-12,14-15H2,1-2H3
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>500n/an/an/an/an/an/an/an/a



ESTEVE PHARMACEUTICALS, S.A.

US Patent


Assay Description
To investigate binding properties of test compounds to human σ1 receptor, transfected HEK-293 membranes and [3H](+)-pentazocine (Perkin Elmer, N...


US Patent US10421750 (2019)


BindingDB Entry DOI: 10.7270/Q2TB197R
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM413904
PNG
(7-ethyl-5-(1-isopentylpiperidin-4- yl)-4-oxa-7-aza...)
Show SMILES CCN1CC(OC2(CC2)C1=O)C1CCN(CCC(C)C)CC1
Show InChI InChI=1S/C18H32N2O2/c1-4-20-13-16(22-18(8-9-18)17(20)21)15-6-11-19(12-7-15)10-5-14(2)3/h14-16H,4-13H2,1-3H3
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<500n/an/an/an/an/an/an/an/a



ESTEVE PHARMACEUTICALS, S.A.

US Patent


Assay Description
To investigate binding properties of test compounds to human σ1 receptor, transfected HEK-293 membranes and [3H](+)-pentazocine (Perkin Elmer, N...


US Patent US10421750 (2019)


BindingDB Entry DOI: 10.7270/Q2TB197R
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM413907
PNG
(7-ethyl-5-(1-phenethylazetidin-3- yl)-4-oxa-7-azas...)
Show SMILES CCN1CC(OC2(CC2)C1=O)C1CN(CCc2ccccc2)C1
Show InChI InChI=1S/C19H26N2O2/c1-2-21-14-17(23-19(9-10-19)18(21)22)16-12-20(13-16)11-8-15-6-4-3-5-7-15/h3-7,16-17H,2,8-14H2,1H3
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<500n/an/an/an/an/an/an/an/a



ESTEVE PHARMACEUTICALS, S.A.

US Patent


Assay Description
To investigate binding properties of test compounds to human σ1 receptor, transfected HEK-293 membranes and [3H](+)-pentazocine (Perkin Elmer, N...


US Patent US10421750 (2019)


BindingDB Entry DOI: 10.7270/Q2TB197R
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM413869
PNG
(7-(4-methoxybenzyl)-5-(1- phenethylpiperidin-4-yl)...)
Show SMILES COc1ccc(CN2CC(OC3(CC3)C2=O)C2CCN(CCc3ccccc3)CC2)cc1
Show InChI InChI=1S/C27H34N2O3/c1-31-24-9-7-22(8-10-24)19-29-20-25(32-27(14-15-27)26(29)30)23-12-17-28(18-13-23)16-11-21-5-3-2-4-6-21/h2-10,23,25H,11-20H2,1H3
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>500n/an/an/an/an/an/an/an/a



ESTEVE PHARMACEUTICALS, S.A.

US Patent


Assay Description
To investigate binding properties of test compounds to human σ1 receptor, transfected HEK-293 membranes and [3H](+)-pentazocine (Perkin Elmer, N...


US Patent US10421750 (2019)


BindingDB Entry DOI: 10.7270/Q2TB197R
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM413876
PNG
(7-isopropyl-5-(1-phenethylpiperidin-4- yl)-4-oxa-7...)
Show SMILES CC(C)N1CC(OC2(CC2)C1=O)C1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C22H32N2O2/c1-17(2)24-16-20(26-22(11-12-22)21(24)25)19-9-14-23(15-10-19)13-8-18-6-4-3-5-7-18/h3-7,17,19-20H,8-16H2,1-2H3
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<500n/an/an/an/an/an/an/an/a



ESTEVE PHARMACEUTICALS, S.A.

US Patent


Assay Description
To investigate binding properties of test compounds to human σ1 receptor, transfected HEK-293 membranes and [3H](+)-pentazocine (Perkin Elmer, N...


US Patent US10421750 (2019)


BindingDB Entry DOI: 10.7270/Q2TB197R
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM413878
PNG
(5-(1-benzylpiperidin-4-yl)-7-phenyl-4- oxa-7-azasp...)
Show SMILES O=C1N(CC(OC11CC1)C1CCN(Cc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C24H28N2O2/c27-23-24(13-14-24)28-22(18-26(23)21-9-5-2-6-10-21)20-11-15-25(16-12-20)17-19-7-3-1-4-8-19/h1-10,20,22H,11-18H2
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<500n/an/an/an/an/an/an/an/a



ESTEVE PHARMACEUTICALS, S.A.

US Patent


Assay Description
To investigate binding properties of test compounds to human σ1 receptor, transfected HEK-293 membranes and [3H](+)-pentazocine (Perkin Elmer, N...


US Patent US10421750 (2019)


BindingDB Entry DOI: 10.7270/Q2TB197R
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM413883
PNG
(5-(1-isobutylpiperidin-4-yl)-7-(4- methoxybenzyl)-...)
Show SMILES COc1ccc(CN2CC(OC3(CC3)C2=O)C2CCN(CC(C)C)CC2)cc1
Show InChI InChI=1S/C23H34N2O3/c1-17(2)14-24-12-8-19(9-13-24)21-16-25(22(26)23(28-21)10-11-23)15-18-4-6-20(27-3)7-5-18/h4-7,17,19,21H,8-16H2,1-3H3
PDB

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>500n/an/an/an/an/an/an/an/a



ESTEVE PHARMACEUTICALS, S.A.

US Patent


Assay Description
To investigate binding properties of test compounds to human σ1 receptor, transfected HEK-293 membranes and [3H](+)-pentazocine (Perkin Elmer, N...


US Patent US10421750 (2019)


BindingDB Entry DOI: 10.7270/Q2TB197R
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM413890
PNG
((2R,6S)-6-(1-benzylpiperidin-4-yl)- 4-ethyl-2-meth...)
Show SMILES CCN1C[C@@H](O[C@H](C)C1=O)C1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C19H28N2O2/c1-3-21-14-18(23-15(2)19(21)22)17-9-11-20(12-10-17)13-16-7-5-4-6-8-16/h4-8,15,17-18H,3,9-14H2,1-2H3/t15-,18-/m1/s1
PDB

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>500n/an/an/an/an/an/an/an/a



ESTEVE PHARMACEUTICALS, S.A.

US Patent


Assay Description
To investigate binding properties of test compounds to human σ1 receptor, transfected HEK-293 membranes and [3H](+)-pentazocine (Perkin Elmer, N...


US Patent US10421750 (2019)


BindingDB Entry DOI: 10.7270/Q2TB197R
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM413902
PNG
(5-(1-(4-fluorobenzyl)piperidin-4-yl)- 7-isopropyl-...)
Show SMILES CC(C)N1CC(OC2(CC2)C1=O)C1CCN(Cc2ccc(F)cc2)CC1
Show InChI InChI=1S/C21H29FN2O2/c1-15(2)24-14-19(26-21(9-10-21)20(24)25)17-7-11-23(12-8-17)13-16-3-5-18(22)6-4-16/h3-6,15,17,19H,7-14H2,1-2H3
PDB

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>500n/an/an/an/an/an/an/an/a



ESTEVE PHARMACEUTICALS, S.A.

US Patent


Assay Description
To investigate binding properties of test compounds to human σ1 receptor, transfected HEK-293 membranes and [3H](+)-pentazocine (Perkin Elmer, N...


US Patent US10421750 (2019)


BindingDB Entry DOI: 10.7270/Q2TB197R
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM413889
PNG
((2R,6R)-6-(1-benzylpiperidin-4-yl)- 4-ethyl-2-meth...)
Show SMILES CCN1C[C@H](O[C@H](C)C1=O)C1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C19H28N2O2/c1-3-21-14-18(23-15(2)19(21)22)17-9-11-20(12-10-17)13-16-7-5-4-6-8-16/h4-8,15,17-18H,3,9-14H2,1-2H3/t15-,18+/m1/s1
PDB

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>500n/an/an/an/an/an/an/an/a



ESTEVE PHARMACEUTICALS, S.A.

US Patent


Assay Description
To investigate binding properties of test compounds to human σ1 receptor, transfected HEK-293 membranes and [3H](+)-pentazocine (Perkin Elmer, N...


US Patent US10421750 (2019)


BindingDB Entry DOI: 10.7270/Q2TB197R
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM413891
PNG
((2S,6R)-4-ethyl-6-(1-(4- fluorobenzyl)piperidin-4-...)
Show SMILES CCN1C[C@H](O[C@@H](C)C1=O)C1CCN(Cc2ccc(F)cc2)CC1
Show InChI InChI=1S/C19H27FN2O2/c1-3-22-13-18(24-14(2)19(22)23)16-8-10-21(11-9-16)12-15-4-6-17(20)7-5-15/h4-7,14,16,18H,3,8-13H2,1-2H3/t14-,18-/m0/s1
PDB

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>500n/an/an/an/an/an/an/an/a



ESTEVE PHARMACEUTICALS, S.A.

US Patent


Assay Description
To investigate binding properties of test compounds to human σ1 receptor, transfected HEK-293 membranes and [3H](+)-pentazocine (Perkin Elmer, N...


US Patent US10421750 (2019)


BindingDB Entry DOI: 10.7270/Q2TB197R
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM413898
PNG
(4-((4-((2S,6R)-4-ethyl-6-methyl-5- oxomorpholin-2-...)
Show SMILES CCN1C[C@@H](O[C@H](C)C1=O)C1CCN(Cc2ccc(cc2)C#N)CC1
Show InChI InChI=1S/C20H27N3O2/c1-3-23-14-19(25-15(2)20(23)24)18-8-10-22(11-9-18)13-17-6-4-16(12-21)5-7-17/h4-7,15,18-19H,3,8-11,13-14H2,1-2H3/t15-,19-/m1/s1
PDB

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>500n/an/an/an/an/an/an/an/a



ESTEVE PHARMACEUTICALS, S.A.

US Patent


Assay Description
To investigate binding properties of test compounds to human σ1 receptor, transfected HEK-293 membranes and [3H](+)-pentazocine (Perkin Elmer, N...


US Patent US10421750 (2019)


BindingDB Entry DOI: 10.7270/Q2TB197R
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM413892
PNG
((2S,6S)-4-ethyl-6-(1-(4- fluorobenzyl)piperidin-4-...)
Show SMILES CCN1C[C@@H](O[C@@H](C)C1=O)C1CCN(Cc2ccc(F)cc2)CC1
Show InChI InChI=1S/C19H27FN2O2/c1-3-22-13-18(24-14(2)19(22)23)16-8-10-21(11-9-16)12-15-4-6-17(20)7-5-15/h4-7,14,16,18H,3,8-13H2,1-2H3/t14-,18+/m0/s1
PDB

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>500n/an/an/an/an/an/an/an/a



ESTEVE PHARMACEUTICALS, S.A.

US Patent


Assay Description
To investigate binding properties of test compounds to human σ1 receptor, transfected HEK-293 membranes and [3H](+)-pentazocine (Perkin Elmer, N...


US Patent US10421750 (2019)


BindingDB Entry DOI: 10.7270/Q2TB197R
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM413886
PNG
(7-ethyl-5-(1-isopentylazetidin-3-yl)- 4-oxa-7-azas...)
Show SMILES CCN1CC(OC2(CC2)C1=O)C1CN(CCC(C)C)C1
Show InChI InChI=1S/C16H28N2O2/c1-4-18-11-14(20-16(6-7-16)15(18)19)13-9-17(10-13)8-5-12(2)3/h12-14H,4-11H2,1-3H3
PDB

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<500n/an/an/an/an/an/an/an/a



ESTEVE PHARMACEUTICALS, S.A.

US Patent


Assay Description
To investigate binding properties of test compounds to human σ1 receptor, transfected HEK-293 membranes and [3H](+)-pentazocine (Perkin Elmer, N...


US Patent US10421750 (2019)


BindingDB Entry DOI: 10.7270/Q2TB197R
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM413897
PNG
(4-((4-((2R,6R)-4-ethyl-6-methyl-5- oxomorpholin-2-...)
Show SMILES CCN1C[C@H](O[C@H](C)C1=O)C1CCN(Cc2ccc(cc2)C#N)CC1
Show InChI InChI=1S/C20H27N3O2/c1-3-23-14-19(25-15(2)20(23)24)18-8-10-22(11-9-18)13-17-6-4-16(12-21)5-7-17/h4-7,15,18-19H,3,8-11,13-14H2,1-2H3/t15-,19+/m1/s1
PDB

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>500n/an/an/an/an/an/an/an/a



ESTEVE PHARMACEUTICALS, S.A.

US Patent


Assay Description
To investigate binding properties of test compounds to human σ1 receptor, transfected HEK-293 membranes and [3H](+)-pentazocine (Perkin Elmer, N...


US Patent US10421750 (2019)


BindingDB Entry DOI: 10.7270/Q2TB197R
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM413896
PNG
(4-((4-((2S,6S)-4-ethyl-6-methyl-5- oxomorpholin-2-...)
Show SMILES CCN1C[C@@H](O[C@@H](C)C1=O)C1CCN(Cc2ccc(cc2)C#N)CC1
Show InChI InChI=1S/C20H27N3O2/c1-3-23-14-19(25-15(2)20(23)24)18-8-10-22(11-9-18)13-17-6-4-16(12-21)5-7-17/h4-7,15,18-19H,3,8-11,13-14H2,1-2H3/t15-,19+/m0/s1
PDB

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>500n/an/an/an/an/an/an/an/a



ESTEVE PHARMACEUTICALS, S.A.

US Patent


Assay Description
To investigate binding properties of test compounds to human σ1 receptor, transfected HEK-293 membranes and [3H](+)-pentazocine (Perkin Elmer, N...


US Patent US10421750 (2019)


BindingDB Entry DOI: 10.7270/Q2TB197R
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM413894
PNG
((2R,6S)-4-ethyl-6-(1-(4- fluorobenzyl)piperidin-4-...)
Show SMILES CCN1C[C@@H](O[C@H](C)C1=O)C1CCN(Cc2ccc(F)cc2)CC1
Show InChI InChI=1S/C19H27FN2O2/c1-3-22-13-18(24-14(2)19(22)23)16-8-10-21(11-9-16)12-15-4-6-17(20)7-5-15/h4-7,14,16,18H,3,8-13H2,1-2H3/t14-,18-/m1/s1
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>500n/an/an/an/an/an/an/an/a



ESTEVE PHARMACEUTICALS, S.A.

US Patent


Assay Description
To investigate binding properties of test compounds to human σ1 receptor, transfected HEK-293 membranes and [3H](+)-pentazocine (Perkin Elmer, N...


US Patent US10421750 (2019)


BindingDB Entry DOI: 10.7270/Q2TB197R
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM413887
PNG
((2S,6R)-6-(1-benzylpiperidin-4-yl)- 4-ethyl-2-meth...)
Show SMILES CCN1C[C@H](O[C@@H](C)C1=O)C1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C19H28N2O2/c1-3-21-14-18(23-15(2)19(21)22)17-9-11-20(12-10-17)13-16-7-5-4-6-8-16/h4-8,15,17-18H,3,9-14H2,1-2H3/t15-,18-/m0/s1
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>500n/an/an/an/an/an/an/an/a



ESTEVE PHARMACEUTICALS, S.A.

US Patent


Assay Description
To investigate binding properties of test compounds to human σ1 receptor, transfected HEK-293 membranes and [3H](+)-pentazocine (Perkin Elmer, N...


US Patent US10421750 (2019)


BindingDB Entry DOI: 10.7270/Q2TB197R
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM413879
PNG
(7-ethyl-5-(1-phenethylpiperidin-4-yl)- 4-oxa-7-aza...)
Show SMILES CCN1CC(OC2(CC2)C1)C1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C21H32N2O/c1-2-22-16-20(24-21(17-22)11-12-21)19-9-14-23(15-10-19)13-8-18-6-4-3-5-7-18/h3-7,19-20H,2,8-17H2,1H3
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<500n/an/an/an/an/an/an/an/a



ESTEVE PHARMACEUTICALS, S.A.

US Patent


Assay Description
To investigate binding properties of test compounds to human σ1 receptor, transfected HEK-293 membranes and [3H](+)-pentazocine (Perkin Elmer, N...


US Patent US10421750 (2019)


BindingDB Entry DOI: 10.7270/Q2TB197R
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM413875
PNG
(7-ethyl-5-(1-phenethylpiperidin-4-yl)- 4-oxa-7-aza...)
Show SMILES CCN1CC(OC2(CC2)C1=O)C1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C21H30N2O2/c1-2-23-16-19(25-21(11-12-21)20(23)24)18-9-14-22(15-10-18)13-8-17-6-4-3-5-7-17/h3-7,18-19H,2,8-16H2,1H3
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<500n/an/an/an/an/an/an/an/a



ESTEVE PHARMACEUTICALS, S.A.

US Patent


Assay Description
To investigate binding properties of test compounds to human σ1 receptor, transfected HEK-293 membranes and [3H](+)-pentazocine (Perkin Elmer, N...


US Patent US10421750 (2019)


BindingDB Entry DOI: 10.7270/Q2TB197R
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM413912
PNG
(7-ethyl-5-(1-isopentylpiperidin-4- yl)-4-oxa-7-aza...)
Show SMILES CCN1CC(OC2(CC2)C1)C1CCN(CCC(C)C)CC1
Show InChI InChI=1S/C18H34N2O/c1-4-19-13-17(21-18(14-19)8-9-18)16-6-11-20(12-7-16)10-5-15(2)3/h15-17H,4-14H2,1-3H3
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<500n/an/an/an/an/an/an/an/a



ESTEVE PHARMACEUTICALS, S.A.

US Patent


Assay Description
To investigate binding properties of test compounds to human σ1 receptor, transfected HEK-293 membranes and [3H](+)-pentazocine (Perkin Elmer, N...


US Patent US10421750 (2019)


BindingDB Entry DOI: 10.7270/Q2TB197R
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM413871
PNG
(5-(1-benzylpiperidin-4-yl)-7-(4- methoxybenzyl)-4-...)
Show SMILES COc1ccc(CN2CC(OC3(CC3)C2=O)C2CCN(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C26H32N2O3/c1-30-23-9-7-21(8-10-23)18-28-19-24(31-26(13-14-26)25(28)29)22-11-15-27(16-12-22)17-20-5-3-2-4-6-20/h2-10,22,24H,11-19H2,1H3
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<500n/an/an/an/an/an/an/an/a



ESTEVE PHARMACEUTICALS, S.A.

US Patent


Assay Description
To investigate binding properties of test compounds to human σ1 receptor, transfected HEK-293 membranes and [3H](+)-pentazocine (Perkin Elmer, N...


US Patent US10421750 (2019)


BindingDB Entry DOI: 10.7270/Q2TB197R
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM413874
PNG
(5-(1-ethylpiperidin-4-yl)-7-(4- methoxybenzyl)-4-o...)
Show SMILES CCN1CCC(CC1)C1CN(Cc2ccc(OC)cc2)C(=O)C2(CC2)O1
Show InChI InChI=1S/C21H30N2O3/c1-3-22-12-8-17(9-13-22)19-15-23(20(24)21(26-19)10-11-21)14-16-4-6-18(25-2)7-5-16/h4-7,17,19H,3,8-15H2,1-2H3
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>500n/an/an/an/an/an/an/an/a



ESTEVE PHARMACEUTICALS, S.A.

US Patent


Assay Description
To investigate binding properties of test compounds to human σ1 receptor, transfected HEK-293 membranes and [3H](+)-pentazocine (Perkin Elmer, N...


US Patent US10421750 (2019)


BindingDB Entry DOI: 10.7270/Q2TB197R
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%