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Patent code US10689398

Compile Data Set for Download or QSAR
Found 91 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))
BDBM448121
PNG
((8-phenethyl-4-oxa- 8,13- diazadispiro[2.1.6.3] te...)
Show SMILES O=C(N1CC2(CC2)OC2(C1)CCCN(CCc1ccccc1)CC2)c1ccccc1
Show InChI InChI=1S/C26H32N2O2/c29-24(23-10-5-2-6-11-23)28-20-25(30-26(21-28)14-15-26)13-7-17-27(19-16-25)18-12-22-8-3-1-4-9-22/h1-6,8-11H,7,12-21H2
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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 US10689398 (2020)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM448179
PNG
(12-benzyl-7-isobutyl-4- oxa-7,12- diazadispiro[2.1...)
Show SMILES CC(C)CN1CCCC2(C1)CN(Cc1ccccc1)CC1(CC1)O2
Show InChI InChI=1S/C21H32N2O/c1-18(2)13-22-12-6-9-21(16-22)17-23(15-20(24-21)10-11-20)14-19-7-4-3-5-8-19/h3-5,7-8,18H,6,9-17H2,1-2H3
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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 US10689398 (2020)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM448185
PNG
(4-ethyl-2,2-dimethyl-9- phenethyl-1-oxa-4,9- diaza...)
Show SMILES CCN1CC(C)(C)OC2(C1)CCCN(CCc1ccccc1)CC2
Show InChI InChI=1S/C21H34N2O/c1-4-22-17-20(2,3)24-21(18-22)12-8-14-23(16-13-21)15-11-19-9-6-5-7-10-19/h5-7,9-10H,4,8,11-18H2,1-3H3
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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 US10689398 (2020)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM448186
PNG
(4-ethyl-9-isopentyl-2,2- dimethyl-1-oxa-4,9- diaza...)
Show SMILES CCN1CC2(CC2)OC2(C1)CCCN(CCC(C)C)CC2
Show InChI InChI=1S/C18H34N2O/c1-4-19-14-17(21-18(15-19)8-9-18)7-5-11-20(13-10-17)12-6-16(2)3/h16H,4-15H2,1-3H3
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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 US10689398 (2020)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM448187
PNG
(4-ethyl-9-isobutyl-2,2- dimethyl-1-oxa-4,9- diazas...)
Show SMILES CCN1CC(C)(C)OC2(C1)CCCN(CC(C)C)CC2
Show InChI InChI=1S/C17H34N2O/c1-6-18-13-16(4,5)20-17(14-18)8-7-10-19(11-9-17)12-15(2)3/h15H,6-14H2,1-5H3
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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 US10689398 (2020)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM448146
PNG
((8-benzyl-4-oxa-8,13- diazadispiro[2.1.6.3] tetrad...)
Show SMILES O=C(N1CC2(CC2)OC2(C1)CCCN(Cc1ccccc1)CC2)c1ccccc1
Show InChI InChI=1S/C25H30N2O2/c28-23(22-10-5-2-6-11-22)27-19-24(29-25(20-27)13-14-25)12-7-16-26(17-15-24)18-21-8-3-1-4-9-21/h1-6,8-11H,7,12-20H2
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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 US10689398 (2020)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM448181
PNG
(13-benzyl-8-phenethyl-4- oxa-8,13- diazadispiro[2....)
Show SMILES C(Cc1ccccc1)N1CCCC2(CN(Cc3ccccc3)CC3(CC3)O2)CC1
Show InChI InChI=1S/C26H34N2O/c1-3-8-23(9-4-1)12-18-27-17-7-13-25(16-19-27)21-28(22-26(29-25)14-15-26)20-24-10-5-2-6-11-24/h1-6,8-11H,7,12-22H2
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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 US10689398 (2020)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM448184
PNG
(9-benzyl-4-ethyl-2,2- dimethyl-1-oxa-4,9- diazaspi...)
Show SMILES CCN1CC(C)(C)OC2(C1)CCCN(Cc1ccccc1)CC2
Show InChI InChI=1S/C20H32N2O/c1-4-21-16-19(2,3)23-20(17-21)11-8-13-22(14-12-20)15-18-9-6-5-7-10-18/h5-7,9-10H,4,8,11-17H2,1-3H3
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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 US10689398 (2020)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM448188
PNG
(10-benzyl-7-phenethyl-4- oxa-7,10- diazadispiro[2....)
Show SMILES C(Cc1ccccc1)N1CC2(C1)CN(Cc1ccccc1)CC1(CC1)O2
Show InChI InChI=1S/C23H28N2O/c1-3-7-20(8-4-1)11-14-24-17-23(18-24)19-25(16-22(26-23)12-13-22)15-21-9-5-2-6-10-21/h1-10H,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 US10689398 (2020)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM448097
PNG
(13-ethyl-8-phenethyl-4-oxa-8,13- diazadispiro[2.1....)
Show SMILES CCN1CC2(CCCN(CCc3ccccc3)CC2)OC2(CC2)C1=O
Show InChI InChI=1S/C21H30N2O2/c1-2-23-17-20(25-21(11-12-21)19(23)24)10-6-14-22(16-13-20)15-9-18-7-4-3-5-8-18/h3-5,7-8H,2,6,9-17H2,1H3
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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 US10689398 (2020)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM448110
PNG
(13-Ethyl-8-phenethyl-4-oxa-8,13- diazadispiro[2.1....)
Show SMILES CCN1CC2(CC2)OC2(C1)CCCN(CCc1ccccc1)CC2
Show InChI InChI=1S/C21H32N2O/c1-2-22-17-20(24-21(18-22)11-12-21)10-6-14-23(16-13-20)15-9-19-7-4-3-5-8-19/h3-5,7-8H,2,6,9-18H2,1H3
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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 US10689398 (2020)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM448104
PNG
(8-isopentyl-13-phenyl-4-oxa-8,13- diazadispiro[2.1...)
Show SMILES CC(C)CCN1CCCC2(CN(C(=O)C3(CC3)O2)c2ccccc2)CC1
Show InChI InChI=1S/C22H32N2O2/c1-18(2)9-15-23-14-6-10-21(13-16-23)17-24(19-7-4-3-5-8-19)20(25)22(26-21)11-12-22/h3-5,7-8,18H,6,9-17H2,1-2H3
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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 US10689398 (2020)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM448116
PNG
(8-phenethyl-13-phenyl-4-oxa-8,13- diazadispiro[2.1...)
Show SMILES C(Cc1ccccc1)N1CCCC2(CN(CC3(CC3)O2)c2ccccc2)CC1
Show InChI InChI=1S/C25H32N2O/c1-3-8-22(9-4-1)12-18-26-17-7-13-24(16-19-26)20-27(21-25(28-24)14-15-25)23-10-5-2-6-11-23/h1-6,8-11H,7,12-21H2
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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 US10689398 (2020)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM448180
PNG
(8,13-dibenzyl-4-oxa-8,13- diazadispiro[2.1.6.3] te...)
Show SMILES C(N1CC2(CC2)OC2(C1)CCCN(Cc1ccccc1)CC2)c1ccccc1
Show InChI InChI=1S/C25H32N2O/c1-3-8-22(9-4-1)18-26-16-7-12-24(15-17-26)20-27(21-25(28-24)13-14-25)19-23-10-5-2-6-11-23/h1-6,8-11H,7,12-21H2
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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 US10689398 (2020)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM448182
PNG
(13-benzyl-8-isopentyl-4- oxa-8,13- diazadispiro[2....)
Show SMILES CC(C)CCN1CCCC2(CN(Cc3ccccc3)CC3(CC3)O2)CC1
Show InChI InChI=1S/C23H36N2O/c1-20(2)9-15-24-14-6-10-22(13-16-24)18-25(19-23(26-22)11-12-23)17-21-7-4-3-5-8-21/h3-5,7-8,20H,6,9-19H2,1-2H3
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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 US10689398 (2020)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM448106
PNG
(8-benzyl-13-ethyl-4-oxa-8,13-diazadispiro[2.1.6.3]...)
Show SMILES CCN1CC2(CCCN(Cc3ccccc3)CC2)OC2(CC2)C1=O
Show InChI InChI=1S/C20H28N2O2/c1-2-22-16-19(24-20(10-11-20)18(22)23)9-6-13-21(14-12-19)15-17-7-4-3-5-8-17/h3-5,7-8H,2,6,9-16H2,1H3
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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 US10689398 (2020)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM448113
PNG
(7-phenethyl-12-phenyl-4-oxa-7,12- diazadispiro[2.1...)
Show SMILES C(Cc1ccccc1)N1CCCC2(C1)CN(CC1(CC1)O2)c1ccccc1
Show InChI InChI=1S/C24H30N2O/c1-3-8-21(9-4-1)12-17-25-16-7-13-24(18-25)20-26(19-23(27-24)14-15-23)22-10-5-2-6-11-22/h1-6,8-11H,7,12-20H2
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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 US10689398 (2020)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM448115
PNG
(8-benzyl-13-phenyl-4-oxa-8,13- diazadispiro[2.1.6....)
Show SMILES C(N1CCCC2(CN(CC3(CC3)O2)c2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C24H30N2O/c1-3-8-21(9-4-1)18-25-16-7-12-23(15-17-25)19-26(20-24(27-23)13-14-24)22-10-5-2-6-11-22/h1-6,8-11H,7,12-20H2
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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 US10689398 (2020)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM448124
PNG
(4-ethyl-2,2-dimethyl-9- phenethyl-1-oxa-4,9- diaza...)
Show SMILES CCN1CC2(CCCN(CCc3ccccc3)CC2)OC(C)(C)C1=O
Show InChI InChI=1S/C21H32N2O2/c1-4-23-17-21(25-20(2,3)19(23)24)12-8-14-22(16-13-21)15-11-18-9-6-5-7-10-18/h5-7,9-10H,4,8,11-17H2,1-3H3
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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 US10689398 (2020)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM448128
PNG
((2,2-dimethyl-9- phenethyl-1-oxa-4,9- diazaspiro[5...)
Show SMILES CC1(C)CN(CC2(CCCN(CCc3ccccc3)CC2)O1)C(=O)c1ccccc1
Show InChI InChI=1S/C26H34N2O2/c1-25(2)20-28(24(29)23-12-7-4-8-13-23)21-26(30-25)15-9-17-27(19-16-26)18-14-22-10-5-3-6-11-22/h3-8,10-13H,9,14-21H2,1-2H3
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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 US10689398 (2020)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM448147
PNG
(9-benzyl-4-ethyl-2,2- dimethyl-1-oxa-4,9- diazaspi...)
Show SMILES CCN1CC2(CCCN(Cc3ccccc3)CC2)OC(C)(C)C1=O
Show InChI InChI=1S/C20H30N2O2/c1-4-22-16-20(24-19(2,3)18(22)23)11-8-13-21(14-12-20)15-17-9-6-5-7-10-17/h5-7,9-10H,4,8,11-16H2,1-3H3
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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 US10689398 (2020)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM448178
PNG
(12-benzyl-7-isopentyl-4- oxa-7,12- diazadispiro[2....)
Show SMILES CC(C)CCN1CCCC2(C1)CN(Cc1ccccc1)CC1(CC1)O2
Show InChI InChI=1S/C22H34N2O/c1-19(2)9-14-23-13-6-10-22(17-23)18-24(16-21(25-22)11-12-21)15-20-7-4-3-5-8-20/h3-5,7-8,19H,6,9-18H2,1-2H3
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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 US10689398 (2020)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM448183
PNG
(13-benzyl-8-isobutyl-4- oxa-8,13- diazadispiro[2.1...)
Show SMILES CC(C)CN1CCCC2(CN(Cc3ccccc3)CC3(CC3)O2)CC1
Show InChI InChI=1S/C22H34N2O/c1-19(2)15-23-13-6-9-21(12-14-23)17-24(18-22(25-21)10-11-22)16-20-7-4-3-5-8-20/h3-5,7-8,19H,6,9-18H2,1-2H3
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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 US10689398 (2020)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM448098
PNG
(13-ethyl-8-isopentyl-4-oxa-8,13- diazadispiro[2.1....)
Show SMILES CCN1CC2(CCCN(CCC(C)C)CC2)OC2(CC2)C1=O
Show InChI InChI=1S/C18H32N2O2/c1-4-20-14-17(22-18(8-9-18)16(20)21)7-5-11-19(13-10-17)12-6-15(2)3/h15H,4-14H2,1-3H3
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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 US10689398 (2020)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM448108
PNG
(8-benzyl-13-phenyl-4-oxa-8,13- diazadispiro[2.1.6....)
Show SMILES O=C1N(CC2(CCCN(Cc3ccccc3)CC2)OC11CC1)c1ccccc1
Show InChI InChI=1S/C24H28N2O2/c27-22-24(13-14-24)28-23(19-26(22)21-10-5-2-6-11-21)12-7-16-25(17-15-23)18-20-8-3-1-4-9-20/h1-6,8-11H,7,12-19H2
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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 US10689398 (2020)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM448114
PNG
(7-isopentyl-12-phenyl-4-oxa-7,12- diazadispiro[2.1...)
Show SMILES CC(C)CCN1CCCC2(C1)CN(CC1(CC1)O2)c1ccccc1
Show InChI InChI=1S/C21H32N2O/c1-18(2)9-14-22-13-6-10-21(15-22)17-23(16-20(24-21)11-12-20)19-7-4-3-5-8-19/h3-5,7-8,18H,6,9-17H2,1-2H3
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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 US10689398 (2020)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM448122
PNG
((8-isopentyl-4-oxa- 8,13- diazadispiro[2.1.6.3] te...)
Show SMILES CC(C)CCN1CCCC2(CN(CC3(CC3)O2)C(=O)c2ccccc2)CC1
Show InChI InChI=1S/C23H34N2O2/c1-19(2)9-15-24-14-6-10-22(13-16-24)17-25(18-23(27-22)11-12-23)21(26)20-7-4-3-5-8-20/h3-5,7-8,19H,6,9-18H2,1-2H3
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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 US10689398 (2020)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM448176
PNG
(7,12-dibenzyl-4-oxa-7,12- diazadispiro[2.1.5.3] tr...)
Show SMILES C(N1CCCC2(C1)CN(Cc1ccccc1)CC1(CC1)O2)c1ccccc1
Show InChI InChI=1S/C24H30N2O/c1-3-8-21(9-4-1)16-25-15-7-12-24(19-25)20-26(18-23(27-24)13-14-23)17-22-10-5-2-6-11-22/h1-6,8-11H,7,12-20H2
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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 US10689398 (2020)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM448190
PNG
((R)-8-benzyl-13-ethyl-4-oxa-8,13-diazadispiro[2.1....)
Show SMILES CCN1C[C@]2(CCCN(Cc3ccccc3)CC2)OC2(CC2)C1=O
Show InChI InChI=1S/C20H28N2O2/c1-2-22-16-19(24-20(10-11-20)18(22)23)9-6-13-21(14-12-19)15-17-7-4-3-5-8-17/h3-5,7-8H,2,6,9-16H2,1H3/t19-/m1/s1
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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 US10689398 (2020)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM448100
PNG
(10-ethyl-7-isopentyl-4-oxa-7,10-diazadispiro[2.1.3...)
Show SMILES CCN1CC2(CN(CCC(C)C)C2)OC2(CC2)C1=O
Show InChI InChI=1S/C15H26N2O2/c1-4-17-11-14(19-15(6-7-15)13(17)18)9-16(10-14)8-5-12(2)3/h12H,4-11H2,1-3H3
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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 US10689398 (2020)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM448103
PNG
(8-phenethyl-13-phenyl-4-oxa-8,13- diazadispiro[2.1...)
Show SMILES O=C1N(CC2(CCCN(CCc3ccccc3)CC2)OC11CC1)c1ccccc1
Show InChI InChI=1S/C25H30N2O2/c28-23-25(14-15-25)29-24(20-27(23)22-10-5-2-6-11-22)13-7-17-26(19-16-24)18-12-21-8-3-1-4-9-21/h1-6,8-11H,7,12-20H2
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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 US10689398 (2020)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM448127
PNG
(10-benzyl-7-phenethyl- 4-oxa-7,10- diazadispiro[2....)
Show SMILES O=C1N(Cc2ccccc2)CC2(CN(CCc3ccccc3)C2)OC11CC1
Show InChI InChI=1S/C23H26N2O2/c26-21-23(12-13-23)27-22(18-25(21)15-20-9-5-2-6-10-20)16-24(17-22)14-11-19-7-3-1-4-8-19/h1-10H,11-18H2
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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 US10689398 (2020)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM448177
PNG
(12-benzyl-7-phenethyl-4- oxa-7,12- diazadispiro[2....)
Show SMILES C(Cc1ccccc1)N1CCCC2(C1)CN(Cc1ccccc1)CC1(CC1)O2
Show InChI InChI=1S/C25H32N2O/c1-3-8-22(9-4-1)12-17-26-16-7-13-25(20-26)21-27(19-24(28-25)14-15-24)18-23-10-5-2-6-11-23/h1-6,8-11H,7,12-21H2
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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 US10689398 (2020)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM448190
PNG
((R)-8-benzyl-13-ethyl-4-oxa-8,13-diazadispiro[2.1....)
Show SMILES CCN1C[C@]2(CCCN(Cc3ccccc3)CC2)OC2(CC2)C1=O
Show InChI InChI=1S/C20H28N2O2/c1-2-22-16-19(24-20(10-11-20)18(22)23)9-6-13-21(14-12-19)15-17-7-4-3-5-8-17/h3-5,7-8H,2,6,9-16H2,1H3/t19-/m1/s1
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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 US10689398 (2020)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM448135
PNG
((S)-2-isopentyl-8- isopropyl-6-methyl-5-oxa- 2,8-d...)
Show SMILES CC(C)CCN1CC2(C1)CN(C(C)C)C(=O)[C@H](C)O2
Show InChI InChI=1S/C15H28N2O2/c1-11(2)6-7-16-8-15(9-16)10-17(12(3)4)14(18)13(5)19-15/h11-13H,6-10H2,1-5H3/t13-/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 US10689398 (2020)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM448173
PNG
((R)-8-ethyl-6-methyl-2- neopentyl-5-oxa-2,8- diaza...)
Show SMILES CCN1CC2(CN(CC(C)(C)C)C2)O[C@H](C)C1=O
Show InChI InChI=1S/C14H26N2O2/c1-6-16-10-14(18-11(2)12(16)17)8-15(9-14)7-13(3,4)5/h11H,6-10H2,1-5H3/t11-/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 US10689398 (2020)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM448099
PNG
(7-benzyl-10-ethyl-4-oxa-7,10-diazadispiro[2.1.3.3]...)
Show SMILES CCN1CC2(CN(CCc3ccccc3)C2)OC2(CC2)C1=O
Show InChI InChI=1S/C18H24N2O2/c1-2-20-14-17(22-18(9-10-18)16(20)21)12-19(13-17)11-8-15-6-4-3-5-7-15/h3-7H,2,8-14H2,1H3
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 US10689398 (2020)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM448101
PNG
(7-phenethyl-12-phenyl-4-oxa-7,12- diazadispiro[2.1...)
Show SMILES O=C1N(CC2(CCCN(CCc3ccccc3)C2)OC11CC1)c1ccccc1
Show InChI InChI=1S/C24H28N2O2/c27-22-24(14-15-24)28-23(19-26(22)21-10-5-2-6-11-21)13-7-16-25(18-23)17-12-20-8-3-1-4-9-20/h1-6,8-11H,7,12-19H2
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 US10689398 (2020)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM448111
PNG
(7-benzyl-12-ethyl-4-oxa-7,12-diazadispiro[2.1.5.3]...)
Show SMILES CCN1CC2(CC2)OC2(CCCN(Cc3ccccc3)C2)C1
Show InChI InChI=1S/C19H28N2O/c1-2-20-14-18(10-11-18)22-19(15-20)9-6-12-21(16-19)13-17-7-4-3-5-8-17/h3-5,7-8H,2,6,9-16H2,1H3
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 US10689398 (2020)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM448117
PNG
(7-benzyl-12-phenyl-4-oxa- 7,12- diazadispiro[2.1.5...)
Show SMILES C(N1CCCC2(C1)CN(CC1(CC1)O2)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H28N2O/c1-3-8-20(9-4-1)16-24-15-7-12-23(17-24)19-25(18-22(26-23)13-14-22)21-10-5-2-6-11-21/h1-6,8-11H,7,12-19H2
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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 US10689398 (2020)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM448123
PNG
((8-isobutyl-4-oxa-8,13- diazadispiro[2.1.6.3] tetr...)
Show SMILES CC(C)CN1CCCC2(CN(CC3(CC3)O2)C(=O)c2ccccc2)CC1
Show InChI InChI=1S/C22H32N2O2/c1-18(2)15-23-13-6-9-21(12-14-23)16-24(17-22(26-21)10-11-22)20(25)19-7-4-3-5-8-19/h3-5,7-8,18H,6,9-17H2,1-2H3
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 US10689398 (2020)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM448126
PNG
(4-ethyl-9-isobutyl-2,2- dimethyl-1-oxa-4,9- diazas...)
Show SMILES CCN1CC2(CCCN(CC(C)C)CC2)OC(C)(C)C1=O
Show InChI InChI=1S/C17H32N2O2/c1-6-19-13-17(21-16(4,5)15(19)20)8-7-10-18(11-9-17)12-14(2)3/h14H,6-13H2,1-5H3
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 US10689398 (2020)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM448130
PNG
((R)-8-ethyl-2-isopentyl-6- methyl-5-oxa-2,8- diaza...)
Show SMILES CCN1CC2(CN(CCC(C)C)C2)O[C@H](C)C1=O
Show InChI InChI=1S/C14H26N2O2/c1-5-16-10-14(18-12(4)13(16)17)8-15(9-14)7-6-11(2)3/h11-12H,5-10H2,1-4H3/t12-/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 US10689398 (2020)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM448131
PNG
((S)-8-ethyl-2-isopentyl-6- methyl-5-oxa-2,8- diaza...)
Show SMILES CCN1CC2(CN(CCC(C)C)C2)O[C@@H](C)C1=O
Show InChI InChI=1S/C14H26N2O2/c1-5-16-10-14(18-12(4)13(16)17)8-15(9-14)7-6-11(2)3/h11-12H,5-10H2,1-4H3/t12-/m0/s1
PDB

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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 US10689398 (2020)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM448140
PNG
((2R,6S)-4-ethyl-9- isopentyl-2-methyl-1-oxa- 4,9- ...)
Show SMILES CCN1C[C@@]2(CCCN(CCC(C)C)CC2)O[C@H](C)C1=O
Show InChI InChI=1S/C17H32N2O2/c1-5-19-13-17(21-15(4)16(19)20)8-6-10-18(12-9-17)11-7-14(2)3/h14-15H,5-13H2,1-4H3/t15-,17+/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 US10689398 (2020)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM448169
PNG
(4-((13-methyl-14-oxo-4- oxa-8,13- diazadispiro[2.1...)
Show SMILES CN1CC2(CCCN(Cc3ccc(cc3)C#N)CC2)OC2(CC2)C1=O
Show InChI InChI=1S/C20H25N3O2/c1-22-15-19(25-20(8-9-20)18(22)24)7-2-11-23(12-10-19)14-17-5-3-16(13-21)4-6-17/h3-6H,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 US10689398 (2020)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM448133
PNG
((S)-8-ethyl-2-isobutyl-6- methyl-5-oxa-2,8- diazas...)
Show SMILES CCN1CC2(CN(CC(C)C)C2)O[C@@H](C)C1=O
Show InChI InChI=1S/C13H24N2O2/c1-5-15-9-13(17-11(4)12(15)16)7-14(8-13)6-10(2)3/h10-11H,5-9H2,1-4H3/t11-/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 US10689398 (2020)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM448138
PNG
((S)-2-(3,3-dimethylbutyl)-8- isopropyl-6-methyl-5-...)
Show SMILES CC(C)N1CC2(CN(CCC(C)(C)C)C2)O[C@@H](C)C1=O
Show InChI InChI=1S/C16H30N2O2/c1-12(2)18-11-16(20-13(3)14(18)19)9-17(10-16)8-7-15(4,5)6/h12-13H,7-11H2,1-6H3/t13-/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 US10689398 (2020)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM448144
PNG
((9-(2-isopropoxyethyl)-2,2- dimethyl-1-oxa-4,9- di...)
Show SMILES CC(C)OCCN1CCCC2(CN(CC(C)(C)O2)C(=O)c2ccccc2)CC1
Show InChI InChI=1S/C23H36N2O3/c1-19(2)27-16-15-24-13-8-11-23(12-14-24)18-25(17-22(3,4)28-23)21(26)20-9-6-5-7-10-20/h5-7,9-10,19H,8,11-18H2,1-4H3
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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 US10689398 (2020)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM448148
PNG
(4-((4-ethyl-2,2-dimethyl-3- oxo-1-oxa-4,9- diazasp...)
Show SMILES CCN1CC2(CCCN(Cc3ccc(cc3)C#N)CC2)OC(C)(C)C1=O
Show InChI InChI=1S/C21H29N3O2/c1-4-24-16-21(26-20(2,3)19(24)25)10-5-12-23(13-11-21)15-18-8-6-17(14-22)7-9-18/h6-9H,4-5,10-13,15-16H2,1-3H3
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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 US10689398 (2020)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM448149
PNG
((2R,6S)-9-benzyl-4-ethyl- 2-methyl-1-oxa-4,9- diaz...)
Show SMILES CCN1C[C@@]2(CCCN(Cc3ccccc3)CC2)O[C@H](C)C1=O
Show InChI InChI=1S/C19H28N2O2/c1-3-21-15-19(23-16(2)18(21)22)10-7-12-20(13-11-19)14-17-8-5-4-6-9-17/h4-6,8-9,16H,3,7,10-15H2,1-2H3/t16-,19+/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 US10689398 (2020)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM448166
PNG
(4-(((2S,6R)-4-ethyl-2- methyl-3-oxo-1-oxa-4,9- dia...)
Show SMILES CCN1C[C@]2(CCCN(Cc3ccc(cc3)C#N)CC2)O[C@@H](C)C1=O
Show InChI InChI=1S/C20H27N3O2/c1-3-23-15-20(25-16(2)19(23)24)9-4-11-22(12-10-20)14-18-7-5-17(13-21)6-8-18/h5-8,16H,3-4,9-12,14-15H2,1-2H3/t16-,20+/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 US10689398 (2020)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM448174
PNG
((S)-8-isopropyl-6- methyl-2-neopentyl-5-oxa- 2,8-d...)
Show SMILES CC(C)N1CC2(CN(CC(C)(C)C)C2)O[C@@H](C)C1=O
Show InChI InChI=1S/C15H28N2O2/c1-11(2)17-10-15(19-12(3)13(17)18)8-16(9-15)7-14(4,5)6/h11-12H,7-10H2,1-6H3/t12-/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 US10689398 (2020)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM448189
PNG
(US10689398, Example 91)
Show SMILES O=C(N1CC2(CC2)OC2(CN(CCc3ccccc3)C2)C1)c1ccccc1
Show InChI InChI=1S/C23H26N2O2/c26-21(20-9-5-2-6-10-20)25-17-22(12-13-22)27-23(18-25)15-24(16-23)14-11-19-7-3-1-4-8-19/h1-10H,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 US10689398 (2020)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM448192
PNG
((R)-2,2-dimethyl-9-phenethyl-1-oxa-4,9-diazaspiro[...)
Show SMILES CC1(C)CN(C[C@]2(CCCN(CCc3ccccc3)CC2)O1)C(=O)c1ccccc1
Show InChI InChI=1S/C26H34N2O2/c1-25(2)20-28(24(29)23-12-7-4-8-13-23)21-26(30-25)15-9-17-27(19-16-26)18-14-22-10-5-3-6-11-22/h3-8,10-13H,9,14-21H2,1-2H3/t26-/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 US10689398 (2020)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM448102
PNG
(7-isopentyl-12-phenyl-4-oxa-7,12- diazadispiro[2.1...)
Show SMILES CC(C)CCN1CCCC2(C1)CN(C(=O)C1(CC1)O2)c1ccccc1
Show InChI InChI=1S/C21H30N2O2/c1-17(2)9-14-22-13-6-10-20(15-22)16-23(18-7-4-3-5-8-18)19(24)21(25-20)11-12-21/h3-5,7-8,17H,6,9-16H2,1-2H3
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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 US10689398 (2020)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM448107
PNG
(7-benzyl-10-ethyl-4-oxa-7,10-diazadispiro[2.1.3.3]...)
Show SMILES CCN1CC2(CN(Cc3ccccc3)C2)OC2(CC2)C1=O
Show InChI InChI=1S/C17H22N2O2/c1-2-19-13-16(21-17(8-9-17)15(19)20)11-18(12-16)10-14-6-4-3-5-7-14/h3-7H,2,8-13H2,1H3
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 US10689398 (2020)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM448118
PNG
((7-phenethyl-4-oxa- 7,12- diazadispiro[2.1.5.3] tr...)
Show SMILES O=C(N1CC2(CC2)OC2(CCCN(CCc3ccccc3)C2)C1)c1ccccc1
Show InChI InChI=1S/C25H30N2O2/c28-23(22-10-5-2-6-11-22)27-19-24(14-15-24)29-25(20-27)13-7-16-26(18-25)17-12-21-8-3-1-4-9-21/h1-6,8-11H,7,12-20H2
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 US10689398 (2020)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM448119
PNG
((7-isopentyl-4-oxa- 7,12- diazadispiro[2.1.5.3] tr...)
Show SMILES CC(C)CCN1CCCC2(C1)CN(CC1(CC1)O2)C(=O)c1ccccc1
Show InChI InChI=1S/C22H32N2O2/c1-18(2)9-14-23-13-6-10-22(15-23)17-24(16-21(26-22)11-12-21)20(25)19-7-4-3-5-8-19/h3-5,7-8,18H,6,9-17H2,1-2H3
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 US10689398 (2020)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM448136
PNG
((R)-2-isobutyl-8- isopropyl-6-methyl-5-oxa- 2,8-di...)
Show SMILES CC(C)CN1CC2(C1)CN(C(C)C)C(=O)[C@@H](C)O2
Show InChI InChI=1S/C14H26N2O2/c1-10(2)6-15-7-14(8-15)9-16(11(3)4)13(17)12(5)18-14/h10-12H,6-9H2,1-5H3/t12-/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 US10689398 (2020)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM448141
PNG
((2R,6R)-4-ethyl-9- isopentyl-2-methyl-1-oxa- 4,9- ...)
Show SMILES CCN1C[C@]2(CCCN(CCC(C)C)CC2)O[C@H](C)C1=O
Show InChI InChI=1S/C17H32N2O2/c1-5-19-13-17(21-15(4)16(19)20)8-6-10-18(12-9-17)11-7-14(2)3/h14-15H,5-13H2,1-4H3/t15-,17-/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 US10689398 (2020)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM448096
PNG
(12-Ethyl-7-phenethyl-4-oxa-7,12-diazadispiro[2.1.5...)
Show SMILES CCN1CC2(CCCN(CCc3ccccc3)C2)OC2(CC2)C1=O
Show InChI InChI=1S/C20H28N2O2/c1-2-22-16-19(24-20(11-12-20)18(22)23)10-6-13-21(15-19)14-9-17-7-4-3-5-8-17/h3-5,7-8H,2,6,9-16H2,1H3
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 US10689398 (2020)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM448105
PNG
(7-Benzyl-12-ethyl-4-oxa-7,12-diazadispiro[2.1.5.3]...)
Show SMILES CCN1CC2(CCCN(Cc3ccccc3)C2)OC2(CC2)C1=O
Show InChI InChI=1S/C19H26N2O2/c1-2-21-15-18(23-19(10-11-19)17(21)22)9-6-12-20(14-18)13-16-7-4-3-5-8-16/h3-5,7-8H,2,6,9-15H2,1H3
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 US10689398 (2020)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM448157
PNG
((2S,6R)-9-benzyl-4-ethyl- 2-methyl-1-oxa-4,9- diaz...)
Show SMILES CCN1C[C@]2(CCCN(Cc3ccccc3)CC2)O[C@@H](C)C1=O
Show InChI InChI=1S/C19H28N2O2/c1-3-21-15-19(23-16(2)18(21)22)10-7-12-20(13-11-19)14-17-8-5-4-6-9-17/h4-6,8-9,16H,3,7,10-15H2,1-2H3/t16-,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 US10689398 (2020)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM448167
PNG
(8-benzyl-13-methyl-4-oxa- 8,13- diazadispiro[2.1.6...)
Show SMILES CN1CC2(CCCN(Cc3ccccc3)CC2)OC2(CC2)C1=O
Show InChI InChI=1S/C19H26N2O2/c1-20-15-18(23-19(9-10-19)17(20)22)8-5-12-21(13-11-18)14-16-6-3-2-4-7-16/h2-4,6-7H,5,8-15H2,1H3
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 US10689398 (2020)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM448192
PNG
((R)-2,2-dimethyl-9-phenethyl-1-oxa-4,9-diazaspiro[...)
Show SMILES CC1(C)CN(C[C@]2(CCCN(CCc3ccccc3)CC2)O1)C(=O)c1ccccc1
Show InChI InChI=1S/C26H34N2O2/c1-25(2)20-28(24(29)23-12-7-4-8-13-23)21-26(30-25)15-9-17-27(19-16-26)18-14-22-10-5-3-6-11-22/h3-8,10-13H,9,14-21H2,1-2H3/t26-/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 US10689398 (2020)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM448112
PNG
(13-ethyl-8-phenethyl-4-oxa-8,13- diazadispiro[2.1....)
Show SMILES CCN1CC2(CC2)OC2(CCCN(CCc3ccccc3)C2)C1
Show InChI InChI=1S/C20H30N2O/c1-2-21-15-19(11-12-19)23-20(16-21)10-6-13-22(17-20)14-9-18-7-4-3-5-8-18/h3-5,7-8H,2,6,9-17H2,1H3
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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 US10689398 (2020)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM448120
PNG
((7-isobutyl-4-oxa-7,12- diazadispiro[2.1.5.3] trid...)
Show SMILES CC(C)CN1CCCC2(C1)CN(CC1(CC1)O2)C(=O)c1ccccc1
Show InChI InChI=1S/C21H30N2O2/c1-17(2)13-22-12-6-9-21(14-22)16-23(15-20(25-21)10-11-20)19(24)18-7-4-3-5-8-18/h3-5,7-8,17H,6,9-16H2,1-2H3
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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 US10689398 (2020)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM448137
PNG
((S)-2-isobutyl-8- isopropyl-6-methyl-5-oxa- 2,8-di...)
Show SMILES CC(C)CN1CC2(C1)CN(C(C)C)C(=O)[C@H](C)O2
Show InChI InChI=1S/C14H26N2O2/c1-10(2)6-15-7-14(8-15)9-16(11(3)4)13(17)12(5)18-14/h10-12H,6-9H2,1-5H3/t12-/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 US10689398 (2020)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM448145
PNG
((7-benzyl-4-oxa-7,12- diazadispiro[2.1.5.3] tridec...)
Show SMILES O=C(N1CC2(CC2)OC2(CCCN(Cc3ccccc3)C2)C1)c1ccccc1
Show InChI InChI=1S/C24H28N2O2/c27-22(21-10-5-2-6-11-21)26-18-23(13-14-23)28-24(19-26)12-7-15-25(17-24)16-20-8-3-1-4-9-20/h1-6,8-11H,7,12-19H2
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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 US10689398 (2020)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM448156
PNG
((2S,6S)-9-benzyl-4-ethyl- 2-methyl-1-oxa-4,9- diaz...)
Show SMILES CCN1C[C@@]2(CCCN(Cc3ccccc3)CC2)O[C@@H](C)C1=O
Show InChI InChI=1S/C19H28N2O2/c1-3-21-15-19(23-16(2)18(21)22)10-7-12-20(13-11-19)14-17-8-5-4-6-9-17/h4-6,8-9,16H,3,7,10-15H2,1-2H3/t16-,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 US10689398 (2020)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM448158
PNG
((2R,6S)-4-ethyl-9-(4- fluorobenzyl)-2-methyl-1- ox...)
Show SMILES CCN1C[C@@]2(CCCN(Cc3ccc(F)cc3)CC2)O[C@H](C)C1=O
Show InChI InChI=1S/C19H27FN2O2/c1-3-22-14-19(24-15(2)18(22)23)9-4-11-21(12-10-19)13-16-5-7-17(20)8-6-16/h5-8,15H,3-4,9-14H2,1-2H3/t15-,19+/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 US10689398 (2020)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM448161
PNG
((2S,6R)-4-ethyl-9-(4- fluorobenzyl)-2-methyl-1- ox...)
Show SMILES CCN1C[C@]2(CCCN(Cc3ccc(C)cc3)CC2)O[C@@H](C)C1=O
Show InChI InChI=1S/C20H30N2O2/c1-4-22-15-20(24-17(3)19(22)23)10-5-12-21(13-11-20)14-18-8-6-16(2)7-9-18/h6-9,17H,4-5,10-15H2,1-3H3/t17-,20+/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 US10689398 (2020)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM448168
PNG
(8-(4-fluorobenzyl)-13- methyl-4-oxa-8,13- diazadis...)
Show SMILES CN1CC2(CCCN(Cc3ccc(F)cc3)CC2)OC2(CC2)C1=O
Show InChI InChI=1S/C19H25FN2O2/c1-21-14-18(24-19(8-9-19)17(21)23)7-2-11-22(12-10-18)13-15-3-5-16(20)6-4-15/h3-6H,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 US10689398 (2020)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM448095
PNG
(12-Ethyl-7-isopentyl-4-oxa-7,12-diazadispiro[2.1.5...)
Show SMILES CCN1CC2(CCCN(CCC(C)C)C2)OC2(CC2)C1=O
Show InChI InChI=1S/C17H30N2O2/c1-4-19-13-16(21-17(8-9-17)15(19)20)7-5-10-18(12-16)11-6-14(2)3/h14H,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 US10689398 (2020)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM448129
PNG
(10-ethyl-7-(2- isopropoxyethyl)-4-oxa- 7,10- diaza...)
Show SMILES CCN1CC2(CN(CCOC(C)C)C2)OC2(CC2)C1=O
Show InChI InChI=1S/C15H26N2O3/c1-4-17-11-14(20-15(5-6-15)13(17)18)9-16(10-14)7-8-19-12(2)3/h12H,4-11H2,1-3H3
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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 US10689398 (2020)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM448132
PNG
((R)-8-ethyl-2-isobutyl- 6-methyl-5-oxa-2,8- diazas...)
Show SMILES CCN1CC2(CN(CC(C)C)C2)O[C@H](C)C1=O
Show InChI InChI=1S/C13H24N2O2/c1-5-15-9-13(17-11(4)12(15)16)7-14(8-13)6-10(2)3/h10-11H,5-9H2,1-4H3/t11-/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 US10689398 (2020)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM448134
PNG
((R)-2-isopentyl-8- isopropyl-6-methyl-5-oxa- 2,8-d...)
Show SMILES CC(C)CCN1CC2(C1)CN(C(C)C)C(=O)[C@@H](C)O2
Show InChI InChI=1S/C15H28N2O2/c1-11(2)6-7-16-8-15(9-16)10-17(12(3)4)14(18)13(5)19-15/h11-13H,6-10H2,1-5H3/t13-/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 US10689398 (2020)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM448139
PNG
((R)-2-(3,3-dimethylbutyl)- 8-isopropyl-6-methyl-5-...)
Show SMILES CC(C)N1CC2(CN(CCC(C)(C)C)C2)O[C@H](C)C1=O
Show InChI InChI=1S/C16H30N2O2/c1-12(2)18-11-16(20-13(3)14(18)19)9-17(10-16)8-7-15(4,5)6/h12-13H,7-11H2,1-6H3/t13-/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 US10689398 (2020)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM448159
PNG
((2R,6R)-4-ethyl-9-(4- fluorobenzyl)-2-methyl-1- ox...)
Show SMILES CCN1C[C@]2(CCCN(Cc3ccc(C)cc3)CC2)O[C@H](C)C1=O
Show InChI InChI=1S/C20H30N2O2/c1-4-22-15-20(24-17(3)19(22)23)10-5-12-21(13-11-20)14-18-8-6-16(2)7-9-18/h6-9,17H,4-5,10-15H2,1-3H3/t17-,20-/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 US10689398 (2020)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM448162
PNG
(4-(((2R,6S)-4-ethyl-2- methyl-3-oxo-1-oxa-4,9- dia...)
Show SMILES CCN1C[C@@]2(CCCN(Cc3ccc(cc3)C#N)CC2)O[C@H](C)C1=O
Show InChI InChI=1S/C20H27N3O2/c1-3-23-15-20(25-16(2)19(23)24)9-4-11-22(12-10-20)14-18-7-5-17(13-21)6-8-18/h5-8,16H,3-4,9-12,14-15H2,1-2H3/t16-,20+/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 US10689398 (2020)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM448164
PNG
(4-(((2R,6R)-4-ethyl-2- methyl-3-oxo-1-oxa-4,9- dia...)
Show SMILES CCN1C[C@]2(CCCN(Cc3ccc(cc3)C#N)CC2)O[C@H](C)C1=O
Show InChI InChI=1S/C20H27N3O2/c1-3-23-15-20(25-16(2)19(23)24)9-4-11-22(12-10-20)14-18-7-5-17(13-21)6-8-18/h5-8,16H,3-4,9-12,14-15H2,1-2H3/t16-,20-/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 US10689398 (2020)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM448165
PNG
(4-(((2S,6S)-4-ethyl-2- methyl-3-oxo-1-oxa-4,9- dia...)
Show SMILES CCN1C[C@@]2(CCCN(Cc3ccc(cc3)C#N)CC2)O[C@@H](C)C1=O
Show InChI InChI=1S/C20H27N3O2/c1-3-23-15-20(25-16(2)19(23)24)9-4-11-22(12-10-20)14-18-7-5-17(13-21)6-8-18/h5-8,16H,3-4,9-12,14-15H2,1-2H3/t16-,20-/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 US10689398 (2020)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM448170
PNG
((S)-8-ethyl-6-methyl-2- neopentyl-5-oxa-2,8- diaza...)
Show SMILES CCN1CC2(CN(CC(C)(C)C)C2)O[C@@H](C)C1=O
Show InChI InChI=1S/C14H26N2O2/c1-6-16-10-14(18-11(2)12(16)17)8-15(9-14)7-13(3,4)5/h11H,6-10H2,1-5H3/t11-/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 US10689398 (2020)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM448109
PNG
(7-benzyl-12-phenyl-4-oxa-7,12-diazadispiro[2.1.5.3...)
Show SMILES O=C1N(CC2(CCCN(Cc3ccccc3)C2)OC11CC1)c1ccccc1
Show InChI InChI=1S/C23H26N2O2/c26-21-23(13-14-23)27-22(18-25(21)20-10-5-2-6-11-20)12-7-15-24(17-22)16-19-8-3-1-4-9-19/h1-6,8-11H,7,12-18H2
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 US10689398 (2020)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM448125
PNG
(4-ethyl-9-isopentyl-2,2- dimethyl-1-oxa-4,9- diaza...)
Show SMILES CCN1CC2(CCCN(CCC(C)C)CC2)OC(C)(C)C1=O
Show InChI InChI=1S/C18H34N2O2/c1-6-20-14-18(22-17(4,5)16(20)21)9-7-11-19(13-10-18)12-8-15(2)3/h15H,6-14H2,1-5H3
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 US10689398 (2020)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM448142
PNG
((2S,6S)-4-ethyl-9- isopentyl-2-methyl-1-oxa- 4,9- ...)
Show SMILES CCN1C[C@@]2(CCCN(CCC(C)C)CC2)O[C@@H](C)C1=O
Show InChI InChI=1S/C17H32N2O2/c1-5-19-13-17(21-15(4)16(19)20)8-6-10-18(12-9-17)11-7-14(2)3/h14-15H,5-13H2,1-4H3/t15-,17-/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 US10689398 (2020)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM448143
PNG
((2S,6R)-4-ethyl-9- isopentyl-2-methyl-1-oxa- 4,9- ...)
Show SMILES CCN1C[C@]2(CCCN(CCC(C)C)CC2)O[C@@H](C)C1=O
Show InChI InChI=1S/C17H32N2O2/c1-5-19-13-17(21-15(4)16(19)20)8-6-10-18(12-9-17)11-7-14(2)3/h14-15H,5-13H2,1-4H3/t15-,17+/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 US10689398 (2020)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM448150
PNG
((2R,6R)-9-benzyl-4-ethyl- 2-methyl-1-oxa-4,9- diaz...)
Show SMILES CCN1C[C@]2(CCCN(Cc3ccccc3)CC2)O[C@H](C)C1=O
Show InChI InChI=1S/C19H28N2O2/c1-3-21-15-19(23-16(2)18(21)22)10-7-12-20(13-11-19)14-17-8-5-4-6-9-17/h4-6,8-9,16H,3,7,10-15H2,1-2H3/t16-,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 US10689398 (2020)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM448160
PNG
((2S,6S)-4-ethyl-9-(4- fluorobenzyl)-2-methyl-1- ox...)
Show SMILES CCN1C[C@@]2(CCCN(Cc3ccc(C)cc3)CC2)O[C@@H](C)C1=O
Show InChI InChI=1S/C20H30N2O2/c1-4-22-15-20(24-17(3)19(22)23)10-5-12-21(13-11-20)14-18-8-6-16(2)7-9-18/h6-9,17H,4-5,10-15H2,1-3H3/t17-,20-/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 US10689398 (2020)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM448175
PNG
((R)-8-isopropyl-6- methyl-2-neopentyl-5-oxa- 2,8-d...)
Show SMILES CC(C)N1CC2(CN(CC(C)(C)C)C2)O[C@H](C)C1=O
Show InChI InChI=1S/C15H28N2O2/c1-11(2)17-10-15(19-12(3)13(17)18)8-16(9-15)7-14(4,5)6/h11-12H,7-10H2,1-6H3/t12-/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 US10689398 (2020)

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