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Patent code US11046670

Compile Data Set for Download or QSAR
Found 63 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 intracellular receptor 2


(Homo sapiens (Human))
BDBM50232709
PNG
(CHEMBL4098442 | US11046670, Table 6.3)
Show SMILES O=C(OCc1ccccc1)N1CC[C@@H]2C[C@@H]1c1cc(ccc21)N1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C29H37N3O2/c33-29(34-21-22-7-3-1-4-8-22)32-14-13-23-19-28(32)27-20-25(11-12-26(23)27)31-17-15-30(16-18-31)24-9-5-2-6-10-24/h1,3-4,7-8,11-12,20,23-24,28H,2,5-6,9-10,13-19,21H2/t23-,28-/m1/s1
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1.40n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent




US Patent US11046670 (2021)

More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Homo sapiens (Human))
BDBM50232709
PNG
(CHEMBL4098442 | US11046670, Table 6.3)
Show SMILES O=C(OCc1ccccc1)N1CC[C@@H]2C[C@@H]1c1cc(ccc21)N1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C29H37N3O2/c33-29(34-21-22-7-3-1-4-8-22)32-14-13-23-19-28(32)27-20-25(11-12-26(23)27)31-17-15-30(16-18-31)24-9-5-2-6-10-24/h1,3-4,7-8,11-12,20,23-24,28H,2,5-6,9-10,13-19,21H2/t23-,28-/m1/s1
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1.40n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent




US Patent US11046670 (2021)

More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Homo sapiens (Human))
BDBM50232706
PNG
(CHEMBL4068690 | US11046670, Table 6.2)
Show SMILES O=C(OCc1ccccc1)N1CC[C@@H]2C[C@@H]1c1cc(ccc21)N1CCN(CC1)C1CCCC1
Show InChI InChI=1S/C28H35N3O2/c32-28(33-20-21-6-2-1-3-7-21)31-13-12-22-18-27(31)26-19-24(10-11-25(22)26)30-16-14-29(15-17-30)23-8-4-5-9-23/h1-3,6-7,10-11,19,22-23,27H,4-5,8-9,12-18,20H2/t22-,27-/m1/s1
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2.30n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent




US Patent US11046670 (2021)

More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Homo sapiens (Human))
BDBM50232706
PNG
(CHEMBL4068690 | US11046670, Table 6.2)
Show SMILES O=C(OCc1ccccc1)N1CC[C@@H]2C[C@@H]1c1cc(ccc21)N1CCN(CC1)C1CCCC1
Show InChI InChI=1S/C28H35N3O2/c32-28(33-20-21-6-2-1-3-7-21)31-13-12-22-18-27(31)26-19-24(10-11-25(22)26)30-16-14-29(15-17-30)23-8-4-5-9-23/h1-3,6-7,10-11,19,22-23,27H,4-5,8-9,12-18,20H2/t22-,27-/m1/s1
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2.30n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent




US Patent US11046670 (2021)

More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Homo sapiens (Human))
BDBM50232701
PNG
(CHEMBL4072304 | US11046670, Table 6.1)
Show SMILES CCCN1CCN(CC1)c1ccc2[C@H]3C[C@@H](N(CC3)C(=O)OCc3ccccc3)c2c1
Show InChI InChI=1S/C26H33N3O2/c1-2-11-27-13-15-28(16-14-27)22-8-9-23-21-10-12-29(25(17-21)24(23)18-22)26(30)31-19-20-6-4-3-5-7-20/h3-9,18,21,25H,2,10-17,19H2,1H3/t21-,25-/m1/s1
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4n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent




US Patent US11046670 (2021)

More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Homo sapiens (Human))
BDBM50232701
PNG
(CHEMBL4072304 | US11046670, Table 6.1)
Show SMILES CCCN1CCN(CC1)c1ccc2[C@H]3C[C@@H](N(CC3)C(=O)OCc3ccccc3)c2c1
Show InChI InChI=1S/C26H33N3O2/c1-2-11-27-13-15-28(16-14-27)22-8-9-23-21-10-12-29(25(17-21)24(23)18-22)26(30)31-19-20-6-4-3-5-7-20/h3-9,18,21,25H,2,10-17,19H2,1H3/t21-,25-/m1/s1
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4n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent




US Patent US11046670 (2021)

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


(Homo sapiens (Human))
BDBM507032
PNG
(US11046670, Compound 44)
Show SMILES Cc1cccc(c1)-c1ccc2[C@H]3C[C@@H](N(Cc4ccc5OCOc5c4)CC3)c2c1
Show InChI InChI=1S/C26H25NO2/c1-17-3-2-4-19(11-17)20-6-7-22-21-9-10-27(24(14-21)23(22)13-20)15-18-5-8-25-26(12-18)29-16-28-25/h2-8,11-13,21,24H,9-10,14-16H2,1H3/t21-,24-/m1/s1
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5.34n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
Receptor binding assays were performed by the Psychoactive Drug Screening Program (PDSP) at Chapel Hill, N.C. The assay protocol book can be accessed...


US Patent US11046670 (2021)

More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Homo sapiens (Human))
BDBM507032
PNG
(US11046670, Compound 44)
Show SMILES Cc1cccc(c1)-c1ccc2[C@H]3C[C@@H](N(Cc4ccc5OCOc5c4)CC3)c2c1
Show InChI InChI=1S/C26H25NO2/c1-17-3-2-4-19(11-17)20-6-7-22-21-9-10-27(24(14-21)23(22)13-20)15-18-5-8-25-26(12-18)29-16-28-25/h2-8,11-13,21,24H,9-10,14-16H2,1H3/t21-,24-/m1/s1
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6.08n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent




US Patent US11046670 (2021)

More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Homo sapiens (Human))
BDBM50232746
PNG
(CHEMBL4063708 | US11046670, Compound 32)
Show SMILES CN1CCN(CC1)c1ccc2[C@H]3C[C@@H](N(CC3)C(=O)OCc3ccccc3)c2c1
Show InChI InChI=1S/C24H29N3O2/c1-25-11-13-26(14-12-25)20-7-8-21-19-9-10-27(23(15-19)22(21)16-20)24(28)29-17-18-5-3-2-4-6-18/h2-8,16,19,23H,9-15,17H2,1H3/t19-,23-/m1/s1
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7.10n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent




US Patent US11046670 (2021)

More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Homo sapiens (Human))
BDBM507040
PNG
(US11046670, Compound 29)
Show SMILES C=CCCN1CCN(CC1)c1ccc2[C@H]3C[C@@H](N(CC3)C(=O)OCc3ccccc3)c2c1
Show InChI InChI=1S/C27H33N3O2/c1-2-3-12-28-14-16-29(17-15-28)23-9-10-24-22-11-13-30(26(18-22)25(24)19-23)27(31)32-20-21-7-5-4-6-8-21/h2,4-10,19,22,26H,1,3,11-18,20H2/t22-,26-/m1/s1
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16n/an/an/an/an/an/an/an/a



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US Patent




US Patent US11046670 (2021)

More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Homo sapiens (Human))
BDBM50232742
PNG
(CHEMBL4065699 | US11046670, Table 6.4)
Show SMILES CCOC(=O)CCN1CCN(CC1)c1ccc2[C@H]3C[C@@H](N(CC3)C(=O)OCc3ccccc3)c2c1
Show InChI InChI=1S/C28H35N3O4/c1-2-34-27(32)11-12-29-14-16-30(17-15-29)23-8-9-24-22-10-13-31(26(18-22)25(24)19-23)28(33)35-20-21-6-4-3-5-7-21/h3-9,19,22,26H,2,10-18,20H2,1H3/t22-,26-/m1/s1
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16.2n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent




US Patent US11046670 (2021)

More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Homo sapiens (Human))
BDBM50232742
PNG
(CHEMBL4065699 | US11046670, Table 6.4)
Show SMILES CCOC(=O)CCN1CCN(CC1)c1ccc2[C@H]3C[C@@H](N(CC3)C(=O)OCc3ccccc3)c2c1
Show InChI InChI=1S/C28H35N3O4/c1-2-34-27(32)11-12-29-14-16-30(17-15-29)23-8-9-24-22-10-13-31(26(18-22)25(24)19-23)28(33)35-20-21-6-4-3-5-7-21/h3-9,19,22,26H,2,10-18,20H2,1H3/t22-,26-/m1/s1
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16.2n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent




US Patent US11046670 (2021)

More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Homo sapiens (Human))
BDBM50232749
PNG
(CHEMBL4095749 | US11046670, Table 6.5)
Show SMILES CC(=C)CN1CCN(CC1)c1ccc2[C@H]3C[C@@H](N(CC3)C(=O)OCc3ccccc3)c2c1
Show InChI InChI=1S/C27H33N3O2/c1-20(2)18-28-12-14-29(15-13-28)23-8-9-24-22-10-11-30(26(16-22)25(24)17-23)27(31)32-19-21-6-4-3-5-7-21/h3-9,17,22,26H,1,10-16,18-19H2,2H3/t22-,26-/m1/s1
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17.5n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent




US Patent US11046670 (2021)

More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Homo sapiens (Human))
BDBM50232749
PNG
(CHEMBL4095749 | US11046670, Table 6.5)
Show SMILES CC(=C)CN1CCN(CC1)c1ccc2[C@H]3C[C@@H](N(CC3)C(=O)OCc3ccccc3)c2c1
Show InChI InChI=1S/C27H33N3O2/c1-20(2)18-28-12-14-29(15-13-28)23-8-9-24-22-10-11-30(26(16-22)25(24)17-23)27(31)32-19-21-6-4-3-5-7-21/h3-9,17,22,26H,1,10-16,18-19H2,2H3/t22-,26-/m1/s1
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17.5n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent




US Patent US11046670 (2021)

More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Homo sapiens (Human))
BDBM507041
PNG
(US11046670, Compound 30)
Show SMILES CC(C)=CCN1CCN(CC1)c1ccc2[C@H]3C[C@@H](N(CC3)C(=O)OCc3ccccc3)c2c1
Show InChI InChI=1S/C28H35N3O2/c1-21(2)10-12-29-14-16-30(17-15-29)24-8-9-25-23-11-13-31(27(18-23)26(25)19-24)28(32)33-20-22-6-4-3-5-7-22/h3-10,19,23,27H,11-18,20H2,1-2H3/t23-,27-/m1/s1
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23n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent




US Patent US11046670 (2021)

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


(Homo sapiens (Human))
BDBM50232709
PNG
(CHEMBL4098442 | US11046670, Table 6.3)
Show SMILES O=C(OCc1ccccc1)N1CC[C@@H]2C[C@@H]1c1cc(ccc21)N1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C29H37N3O2/c33-29(34-21-22-7-3-1-4-8-22)32-14-13-23-19-28(32)27-20-25(11-12-26(23)27)31-17-15-30(16-18-31)24-9-5-2-6-10-24/h1,3-4,7-8,11-12,20,23-24,28H,2,5-6,9-10,13-19,21H2/t23-,28-/m1/s1
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27n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

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Assay Description
Receptor binding assays were performed by the Psychoactive Drug Screening Program (PDSP) at Chapel Hill, N.C. The assay protocol book can be accessed...


US Patent US11046670 (2021)

More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Homo sapiens (Human))
BDBM50232735
PNG
(CHEMBL4069441 | US11046670, Compound 34)
Show SMILES CN1CCN(CC1)c1ccc2[C@H]3C[C@@H](N(CC3)S(=O)(=O)c3cc(Cl)cc(Cl)c3)c2c1
Show InChI InChI=1S/C22H25Cl2N3O2S/c1-25-6-8-26(9-7-25)18-2-3-20-15-4-5-27(22(10-15)21(20)14-18)30(28,29)19-12-16(23)11-17(24)13-19/h2-3,11-15,22H,4-10H2,1H3/t15-,22-/m1/s1
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27n/an/an/an/an/an/an/an/a



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US Patent




US Patent US11046670 (2021)

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


(Homo sapiens (Human))
BDBM50232709
PNG
(CHEMBL4098442 | US11046670, Table 6.3)
Show SMILES O=C(OCc1ccccc1)N1CC[C@@H]2C[C@@H]1c1cc(ccc21)N1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C29H37N3O2/c33-29(34-21-22-7-3-1-4-8-22)32-14-13-23-19-28(32)27-20-25(11-12-26(23)27)31-17-15-30(16-18-31)24-9-5-2-6-10-24/h1,3-4,7-8,11-12,20,23-24,28H,2,5-6,9-10,13-19,21H2/t23-,28-/m1/s1
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27n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

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Assay Description
Receptor binding assays were performed by the Psychoactive Drug Screening Program (PDSP) at Chapel Hill, N.C. The assay protocol book can be accessed...


US Patent US11046670 (2021)

More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Homo sapiens (Human))
BDBM50232712
PNG
(CHEMBL4092498 | US11046670, Compound 28)
Show SMILES C=CCN1CCN(CC1)c1ccc2[C@H]3C[C@@H](N(CC3)C(=O)OCc3ccccc3)c2c1
Show InChI InChI=1S/C26H31N3O2/c1-2-11-27-13-15-28(16-14-27)22-8-9-23-21-10-12-29(25(17-21)24(23)18-22)26(30)31-19-20-6-4-3-5-7-20/h2-9,18,21,25H,1,10-17,19H2/t21-,25-/m1/s1
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34n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent




US Patent US11046670 (2021)

More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Homo sapiens (Human))
BDBM507029
PNG
(US11046670, Compound 41)
Show SMILES CN1CC[C@@H]2C[C@@H]1c1cc(ccc21)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C19H18F3N/c1-23-9-8-14-11-18(23)17-10-13(4-7-16(14)17)12-2-5-15(6-3-12)19(20,21)22/h2-7,10,14,18H,8-9,11H2,1H3/t14-,18-/m1/s1
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43n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

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US Patent US11046670 (2021)

More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Homo sapiens (Human))
BDBM507052
PNG
(US11046670, Table 6.6)
Show SMILES CCCOC(=O)CCN1CCN(CC1)c1ccc2[C@H]3C[C@@H](N(CC3)C(=O)OCc3ccccc3)c2c1
Show InChI InChI=1S/C29H37N3O4/c1-2-18-35-28(33)11-12-30-14-16-31(17-15-30)24-8-9-25-23-10-13-32(27(19-23)26(25)20-24)29(34)36-21-22-6-4-3-5-7-22/h3-9,20,23,27H,2,10-19,21H2,1H3/t23-,27-/m1/s1
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58n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

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US Patent US11046670 (2021)

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


(Homo sapiens (Human))
BDBM507041
PNG
(US11046670, Compound 30)
Show SMILES CC(C)=CCN1CCN(CC1)c1ccc2[C@H]3C[C@@H](N(CC3)C(=O)OCc3ccccc3)c2c1
Show InChI InChI=1S/C28H35N3O2/c1-21(2)10-12-29-14-16-30(17-15-29)24-8-9-25-23-11-13-31(27(18-23)26(25)19-24)28(32)33-20-22-6-4-3-5-7-22/h3-10,19,23,27H,11-18,20H2,1-2H3/t23-,27-/m1/s1
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62n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
Receptor binding assays were performed by the Psychoactive Drug Screening Program (PDSP) at Chapel Hill, N.C. The assay protocol book can be accessed...


US Patent US11046670 (2021)

More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Homo sapiens (Human))
BDBM507024
PNG
(US11046670, Compound 39)
Show SMILES Clc1cc(Cl)cc(CN2CC[C@@H]3C[C@@H]2c2cc(ccc32)N2CCOCC2)c1
Show InChI InChI=1S/C22H24Cl2N2O/c23-17-9-15(10-18(24)12-17)14-26-4-3-16-11-22(26)21-13-19(1-2-20(16)21)25-5-7-27-8-6-25/h1-2,9-10,12-13,16,22H,3-8,11,14H2/t16-,22-/m1/s1
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92n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent




US Patent US11046670 (2021)

More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Homo sapiens (Human))
BDBM507031
PNG
(US11046670, Compound 43)
Show SMILES CN1CC[C@@H]2C[C@@H]1c1cc(ccc21)-c1cccc(C)c1
Show InChI InChI=1S/C19H21N/c1-13-4-3-5-14(10-13)15-6-7-17-16-8-9-20(2)19(12-16)18(17)11-15/h3-7,10-11,16,19H,8-9,12H2,1-2H3/t16-,19-/m1/s1
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133n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent




US Patent US11046670 (2021)

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


(Homo sapiens (Human))
BDBM507029
PNG
(US11046670, Compound 41)
Show SMILES CN1CC[C@@H]2C[C@@H]1c1cc(ccc21)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C19H18F3N/c1-23-9-8-14-11-18(23)17-10-13(4-7-16(14)17)12-2-5-15(6-3-12)19(20,21)22/h2-7,10,14,18H,8-9,11H2,1H3/t14-,18-/m1/s1
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156n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
Receptor binding assays were performed by the Psychoactive Drug Screening Program (PDSP) at Chapel Hill, N.C. The assay protocol book can be accessed...


US Patent US11046670 (2021)

More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Homo sapiens (Human))
BDBM507030
PNG
(US11046670, Compound 42)
Show SMILES FC(F)(F)c1ccc(cc1)-c1ccc2[C@H]3C[C@@H](N(CCc4ccccc4)CC3)c2c1
Show InChI InChI=1S/C26H24F3N/c27-26(28,29)22-9-6-19(7-10-22)20-8-11-23-21-13-15-30(25(17-21)24(23)16-20)14-12-18-4-2-1-3-5-18/h1-11,16,21,25H,12-15,17H2/t21-,25-/m1/s1
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166n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent




US Patent US11046670 (2021)

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


(Homo sapiens (Human))
BDBM50232706
PNG
(CHEMBL4068690 | US11046670, Table 6.2)
Show SMILES O=C(OCc1ccccc1)N1CC[C@@H]2C[C@@H]1c1cc(ccc21)N1CCN(CC1)C1CCCC1
Show InChI InChI=1S/C28H35N3O2/c32-28(33-20-21-6-2-1-3-7-21)31-13-12-22-18-27(31)26-19-24(10-11-25(22)26)30-16-14-29(15-17-30)23-8-4-5-9-23/h1-3,6-7,10-11,19,22-23,27H,4-5,8-9,12-18,20H2/t22-,27-/m1/s1
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170n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
Receptor binding assays were performed by the Psychoactive Drug Screening Program (PDSP) at Chapel Hill, N.C. The assay protocol book can be accessed...


US Patent US11046670 (2021)

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


(Homo sapiens (Human))
BDBM50232706
PNG
(CHEMBL4068690 | US11046670, Table 6.2)
Show SMILES O=C(OCc1ccccc1)N1CC[C@@H]2C[C@@H]1c1cc(ccc21)N1CCN(CC1)C1CCCC1
Show InChI InChI=1S/C28H35N3O2/c32-28(33-20-21-6-2-1-3-7-21)31-13-12-22-18-27(31)26-19-24(10-11-25(22)26)30-16-14-29(15-17-30)23-8-4-5-9-23/h1-3,6-7,10-11,19,22-23,27H,4-5,8-9,12-18,20H2/t22-,27-/m1/s1
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170n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
Receptor binding assays were performed by the Psychoactive Drug Screening Program (PDSP) at Chapel Hill, N.C. The assay protocol book can be accessed...


US Patent US11046670 (2021)

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


(Homo sapiens (Human))
BDBM507040
PNG
(US11046670, Compound 29)
Show SMILES C=CCCN1CCN(CC1)c1ccc2[C@H]3C[C@@H](N(CC3)C(=O)OCc3ccccc3)c2c1
Show InChI InChI=1S/C27H33N3O2/c1-2-3-12-28-14-16-29(17-15-28)23-9-10-24-22-11-13-30(26(18-22)25(24)19-23)27(31)32-20-21-7-5-4-6-8-21/h2,4-10,19,22,26H,1,3,11-18,20H2/t22-,26-/m1/s1
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172n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
Receptor binding assays were performed by the Psychoactive Drug Screening Program (PDSP) at Chapel Hill, N.C. The assay protocol book can be accessed...


US Patent US11046670 (2021)

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


(Homo sapiens (Human))
BDBM50232701
PNG
(CHEMBL4072304 | US11046670, Table 6.1)
Show SMILES CCCN1CCN(CC1)c1ccc2[C@H]3C[C@@H](N(CC3)C(=O)OCc3ccccc3)c2c1
Show InChI InChI=1S/C26H33N3O2/c1-2-11-27-13-15-28(16-14-27)22-8-9-23-21-10-12-29(25(17-21)24(23)18-22)26(30)31-19-20-6-4-3-5-7-20/h3-9,18,21,25H,2,10-17,19H2,1H3/t21-,25-/m1/s1
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255n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
Receptor binding assays were performed by the Psychoactive Drug Screening Program (PDSP) at Chapel Hill, N.C. The assay protocol book can be accessed...


US Patent US11046670 (2021)

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


(Homo sapiens (Human))
BDBM50232701
PNG
(CHEMBL4072304 | US11046670, Table 6.1)
Show SMILES CCCN1CCN(CC1)c1ccc2[C@H]3C[C@@H](N(CC3)C(=O)OCc3ccccc3)c2c1
Show InChI InChI=1S/C26H33N3O2/c1-2-11-27-13-15-28(16-14-27)22-8-9-23-21-10-12-29(25(17-21)24(23)18-22)26(30)31-19-20-6-4-3-5-7-20/h3-9,18,21,25H,2,10-17,19H2,1H3/t21-,25-/m1/s1
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255n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
Receptor binding assays were performed by the Psychoactive Drug Screening Program (PDSP) at Chapel Hill, N.C. The assay protocol book can be accessed...


US Patent US11046670 (2021)

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


(Homo sapiens (Human))
BDBM507037
PNG
(US11046670, Compound 36)
Show SMILES CN1CCN(CC1)c1ccc2[C@H]3C[C@@H](N(CC3)C(=O)CCc3ccccc3)c2c1
Show InChI InChI=1S/C25H31N3O/c1-26-13-15-27(16-14-26)21-8-9-22-20-11-12-28(24(17-20)23(22)18-21)25(29)10-7-19-5-3-2-4-6-19/h2-6,8-9,18,20,24H,7,10-17H2,1H3/t20-,24-/m1/s1
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294n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
Receptor binding assays were performed by the Psychoactive Drug Screening Program (PDSP) at Chapel Hill, N.C. The assay protocol book can be accessed...


US Patent US11046670 (2021)

More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Homo sapiens (Human))
BDBM507026
PNG
(US11046670, Compound 19)
Show SMILES C(N1CC[C@@H]2C[C@@H]1c1cc(ccc21)N1CCCCC1)c1ccccc1
Show InChI InChI=1S/C23H28N2/c1-3-7-18(8-4-1)17-25-14-11-19-15-23(25)22-16-20(9-10-21(19)22)24-12-5-2-6-13-24/h1,3-4,7-10,16,19,23H,2,5-6,11-15,17H2/t19-,23-/m1/s1
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318n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent




US Patent US11046670 (2021)

More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Homo sapiens (Human))
BDBM507037
PNG
(US11046670, Compound 36)
Show SMILES CN1CCN(CC1)c1ccc2[C@H]3C[C@@H](N(CC3)C(=O)CCc3ccccc3)c2c1
Show InChI InChI=1S/C25H31N3O/c1-26-13-15-27(16-14-26)21-8-9-22-20-11-12-28(24(17-20)23(22)18-21)25(29)10-7-19-5-3-2-4-6-19/h2-6,8-9,18,20,24H,7,10-17H2,1H3/t20-,24-/m1/s1
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357n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent




US Patent US11046670 (2021)

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


(Homo sapiens (Human))
BDBM507031
PNG
(US11046670, Compound 43)
Show SMILES CN1CC[C@@H]2C[C@@H]1c1cc(ccc21)-c1cccc(C)c1
Show InChI InChI=1S/C19H21N/c1-13-4-3-5-14(10-13)15-6-7-17-16-8-9-20(2)19(12-16)18(17)11-15/h3-7,10-11,16,19H,8-9,12H2,1-2H3/t16-,19-/m1/s1
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391n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
Receptor binding assays were performed by the Psychoactive Drug Screening Program (PDSP) at Chapel Hill, N.C. The assay protocol book can be accessed...


US Patent US11046670 (2021)

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


(Homo sapiens (Human))
BDBM50232749
PNG
(CHEMBL4095749 | US11046670, Table 6.5)
Show SMILES CC(=C)CN1CCN(CC1)c1ccc2[C@H]3C[C@@H](N(CC3)C(=O)OCc3ccccc3)c2c1
Show InChI InChI=1S/C27H33N3O2/c1-20(2)18-28-12-14-29(15-13-28)23-8-9-24-22-10-11-30(26(16-22)25(24)17-23)27(31)32-19-21-6-4-3-5-7-21/h3-9,17,22,26H,1,10-16,18-19H2,2H3/t22-,26-/m1/s1
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413n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
Receptor binding assays were performed by the Psychoactive Drug Screening Program (PDSP) at Chapel Hill, N.C. The assay protocol book can be accessed...


US Patent US11046670 (2021)

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


(Homo sapiens (Human))
BDBM50232749
PNG
(CHEMBL4095749 | US11046670, Table 6.5)
Show SMILES CC(=C)CN1CCN(CC1)c1ccc2[C@H]3C[C@@H](N(CC3)C(=O)OCc3ccccc3)c2c1
Show InChI InChI=1S/C27H33N3O2/c1-20(2)18-28-12-14-29(15-13-28)23-8-9-24-22-10-11-30(26(16-22)25(24)17-23)27(31)32-19-21-6-4-3-5-7-21/h3-9,17,22,26H,1,10-16,18-19H2,2H3/t22-,26-/m1/s1
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430n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
Receptor binding assays were performed by the Psychoactive Drug Screening Program (PDSP) at Chapel Hill, N.C. The assay protocol book can be accessed...


US Patent US11046670 (2021)

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


(Homo sapiens (Human))
BDBM50232735
PNG
(CHEMBL4069441 | US11046670, Compound 34)
Show SMILES CN1CCN(CC1)c1ccc2[C@H]3C[C@@H](N(CC3)S(=O)(=O)c3cc(Cl)cc(Cl)c3)c2c1
Show InChI InChI=1S/C22H25Cl2N3O2S/c1-25-6-8-26(9-7-25)18-2-3-20-15-4-5-27(22(10-15)21(20)14-18)30(28,29)19-12-16(23)11-17(24)13-19/h2-3,11-15,22H,4-10H2,1H3/t15-,22-/m1/s1
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442n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
Receptor binding assays were performed by the Psychoactive Drug Screening Program (PDSP) at Chapel Hill, N.C. The assay protocol book can be accessed...


US Patent US11046670 (2021)

More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Homo sapiens (Human))
BDBM507038
PNG
(US11046670, Compound 37)
Show SMILES CN1CCN(CC1)c1ccc2[C@H]3C[C@@H](N(CC3)C(=O)OCC=C)c2c1
Show InChI InChI=1S/C20H27N3O2/c1-3-12-25-20(24)23-7-6-15-13-19(23)18-14-16(4-5-17(15)18)22-10-8-21(2)9-11-22/h3-5,14-15,19H,1,6-13H2,2H3/t15-,19-/m1/s1
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442n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent




US Patent US11046670 (2021)

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


(Homo sapiens (Human))
BDBM50232746
PNG
(CHEMBL4063708 | US11046670, Compound 32)
Show SMILES CN1CCN(CC1)c1ccc2[C@H]3C[C@@H](N(CC3)C(=O)OCc3ccccc3)c2c1
Show InChI InChI=1S/C24H29N3O2/c1-25-11-13-26(14-12-25)20-7-8-21-19-9-10-27(23(15-19)22(21)16-20)24(28)29-17-18-5-3-2-4-6-18/h2-8,16,19,23H,9-15,17H2,1H3/t19-,23-/m1/s1
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497n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
Receptor binding assays were performed by the Psychoactive Drug Screening Program (PDSP) at Chapel Hill, N.C. The assay protocol book can be accessed...


US Patent US11046670 (2021)

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


(Homo sapiens (Human))
BDBM50232712
PNG
(CHEMBL4092498 | US11046670, Compound 28)
Show SMILES C=CCN1CCN(CC1)c1ccc2[C@H]3C[C@@H](N(CC3)C(=O)OCc3ccccc3)c2c1
Show InChI InChI=1S/C26H31N3O2/c1-2-11-27-13-15-28(16-14-27)22-8-9-23-21-10-12-29(25(17-21)24(23)18-22)26(30)31-19-20-6-4-3-5-7-20/h2-9,18,21,25H,1,10-17,19H2/t21-,25-/m1/s1
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589n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
Receptor binding assays were performed by the Psychoactive Drug Screening Program (PDSP) at Chapel Hill, N.C. The assay protocol book can be accessed...


US Patent US11046670 (2021)

More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Homo sapiens (Human))
BDBM507028
PNG
(US11046670, Compound 27)
Show SMILES C(N1CC[C@@H]2C[C@@H]1c1cc(ccc21)-c1ccc2OCOc2c1)c1ccccc1
Show InChI InChI=1S/C25H23NO2/c1-2-4-17(5-3-1)15-26-11-10-20-13-23(26)22-12-18(6-8-21(20)22)19-7-9-24-25(14-19)28-16-27-24/h1-9,12,14,20,23H,10-11,13,15-16H2/t20-,23-/m1/s1
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723n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent




US Patent US11046670 (2021)

More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Homo sapiens (Human))
BDBM507027
PNG
(US11046670, Compound 38)
Show SMILES Clc1cccc(CN2CC[C@@H]3C[C@@H]2c2cc(ccc32)N2CCCCC2)c1
Show InChI InChI=1S/C23H27ClN2/c24-19-6-4-5-17(13-19)16-26-12-9-18-14-23(26)22-15-20(7-8-21(18)22)25-10-2-1-3-11-25/h4-8,13,15,18,23H,1-3,9-12,14,16H2/t18-,23-/m1/s1
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746n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent




US Patent US11046670 (2021)

More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Homo sapiens (Human))
BDBM507036
PNG
(US11046670, Compound 35)
Show SMILES CN1CCN(CC1)c1ccc2[C@H]3C[C@@H](N(CC3)S(=O)(=O)c3ccccc3)c2c1
Show InChI InChI=1S/C22H27N3O2S/c1-23-11-13-24(14-12-23)18-7-8-20-17-9-10-25(22(15-17)21(20)16-18)28(26,27)19-5-3-2-4-6-19/h2-8,16-17,22H,9-15H2,1H3/t17-,22-/m1/s1
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764n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent




US Patent US11046670 (2021)

More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Homo sapiens (Human))
BDBM50232739
PNG
(CHEMBL4085658 | US11046670, Compound 20)
Show SMILES C(N1CC[C@@H]2C[C@@H]1c1cc(ccc21)N1CCOCC1)c1ccccc1
Show InChI InChI=1S/C22H26N2O/c1-2-4-17(5-3-1)16-24-9-8-18-14-22(24)21-15-19(6-7-20(18)21)23-10-12-25-13-11-23/h1-7,15,18,22H,8-14,16H2/t18-,22-/m1/s1
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1.03E+3n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent




US Patent US11046670 (2021)

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


(Homo sapiens (Human))
BDBM507030
PNG
(US11046670, Compound 42)
Show SMILES FC(F)(F)c1ccc(cc1)-c1ccc2[C@H]3C[C@@H](N(CCc4ccccc4)CC3)c2c1
Show InChI InChI=1S/C26H24F3N/c27-26(28,29)22-9-6-19(7-10-22)20-8-11-23-21-13-15-30(25(17-21)24(23)16-20)14-12-18-4-2-1-3-5-18/h1-11,16,21,25H,12-15,17H2/t21-,25-/m1/s1
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1.06E+3n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
Receptor binding assays were performed by the Psychoactive Drug Screening Program (PDSP) at Chapel Hill, N.C. The assay protocol book can be accessed...


US Patent US11046670 (2021)

More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Homo sapiens (Human))
BDBM507025
PNG
(US11046670, Compound 40)
Show SMILES Fc1ccccc1CN1CC[C@@H]2C[C@@H]1c1cc(ccc21)N1CCOCC1
Show InChI InChI=1S/C22H25FN2O/c23-21-4-2-1-3-17(21)15-25-8-7-16-13-22(25)20-14-18(5-6-19(16)20)24-9-11-26-12-10-24/h1-6,14,16,22H,7-13,15H2/t16-,22-/m1/s1
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1.26E+3n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent




US Patent US11046670 (2021)

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


(Homo sapiens (Human))
BDBM507038
PNG
(US11046670, Compound 37)
Show SMILES CN1CCN(CC1)c1ccc2[C@H]3C[C@@H](N(CC3)C(=O)OCC=C)c2c1
Show InChI InChI=1S/C20H27N3O2/c1-3-12-25-20(24)23-7-6-15-13-19(23)18-14-16(4-5-17(15)18)22-10-8-21(2)9-11-22/h3-5,14-15,19H,1,6-13H2,2H3/t15-,19-/m1/s1
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2.11E+3n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
Receptor binding assays were performed by the Psychoactive Drug Screening Program (PDSP) at Chapel Hill, N.C. The assay protocol book can be accessed...


US Patent US11046670 (2021)

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


(Homo sapiens (Human))
BDBM507026
PNG
(US11046670, Compound 19)
Show SMILES C(N1CC[C@@H]2C[C@@H]1c1cc(ccc21)N1CCCCC1)c1ccccc1
Show InChI InChI=1S/C23H28N2/c1-3-7-18(8-4-1)17-25-14-11-19-15-23(25)22-16-20(9-10-21(19)22)24-12-5-2-6-13-24/h1,3-4,7-10,16,19,23H,2,5-6,11-15,17H2/t19-,23-/m1/s1
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2.43E+3n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
Receptor binding assays were performed by the Psychoactive Drug Screening Program (PDSP) at Chapel Hill, N.C. The assay protocol book can be accessed...


US Patent US11046670 (2021)

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


(Homo sapiens (Human))
BDBM507024
PNG
(US11046670, Compound 39)
Show SMILES Clc1cc(Cl)cc(CN2CC[C@@H]3C[C@@H]2c2cc(ccc32)N2CCOCC2)c1
Show InChI InChI=1S/C22H24Cl2N2O/c23-17-9-15(10-18(24)12-17)14-26-4-3-16-11-22(26)21-13-19(1-2-20(16)21)25-5-7-27-8-6-25/h1-2,9-10,12-13,16,22H,3-8,11,14H2/t16-,22-/m1/s1
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2.98E+3n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
Receptor binding assays were performed by the Psychoactive Drug Screening Program (PDSP) at Chapel Hill, N.C. The assay protocol book can be accessed...


US Patent US11046670 (2021)

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


(Homo sapiens (Human))
BDBM507028
PNG
(US11046670, Compound 27)
Show SMILES C(N1CC[C@@H]2C[C@@H]1c1cc(ccc21)-c1ccc2OCOc2c1)c1ccccc1
Show InChI InChI=1S/C25H23NO2/c1-2-4-17(5-3-1)15-26-11-10-20-13-23(26)22-12-18(6-8-21(20)22)19-7-9-24-25(14-19)28-16-27-24/h1-9,12,14,20,23H,10-11,13,15-16H2/t20-,23-/m1/s1
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3.04E+3n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
Receptor binding assays were performed by the Psychoactive Drug Screening Program (PDSP) at Chapel Hill, N.C. The assay protocol book can be accessed...


US Patent US11046670 (2021)

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


(Homo sapiens (Human))
BDBM507027
PNG
(US11046670, Compound 38)
Show SMILES Clc1cccc(CN2CC[C@@H]3C[C@@H]2c2cc(ccc32)N2CCCCC2)c1
Show InChI InChI=1S/C23H27ClN2/c24-19-6-4-5-17(13-19)16-26-12-9-18-14-23(26)22-15-20(7-8-21(18)22)25-10-2-1-3-11-25/h4-8,13,15,18,23H,1-3,9-12,14,16H2/t18-,23-/m1/s1
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3.52E+3n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
Receptor binding assays were performed by the Psychoactive Drug Screening Program (PDSP) at Chapel Hill, N.C. The assay protocol book can be accessed...


US Patent US11046670 (2021)

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


(Homo sapiens (Human))
BDBM50232739
PNG
(CHEMBL4085658 | US11046670, Compound 20)
Show SMILES C(N1CC[C@@H]2C[C@@H]1c1cc(ccc21)N1CCOCC1)c1ccccc1
Show InChI InChI=1S/C22H26N2O/c1-2-4-17(5-3-1)16-24-9-8-18-14-22(24)21-15-19(6-7-20(18)21)23-10-12-25-13-11-23/h1-7,15,18,22H,8-14,16H2/t18-,22-/m1/s1
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3.78E+3n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
Receptor binding assays were performed by the Psychoactive Drug Screening Program (PDSP) at Chapel Hill, N.C. The assay protocol book can be accessed...


US Patent US11046670 (2021)

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


(Homo sapiens (Human))
BDBM507025
PNG
(US11046670, Compound 40)
Show SMILES Fc1ccccc1CN1CC[C@@H]2C[C@@H]1c1cc(ccc21)N1CCOCC1
Show InChI InChI=1S/C22H25FN2O/c23-21-4-2-1-3-17(21)15-25-8-7-16-13-22(25)20-14-18(5-6-19(16)20)24-9-11-26-12-10-24/h1-6,14,16,22H,7-13,15H2/t16-,22-/m1/s1
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4.54E+3n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
Receptor binding assays were performed by the Psychoactive Drug Screening Program (PDSP) at Chapel Hill, N.C. The assay protocol book can be accessed...


US Patent US11046670 (2021)

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


(Homo sapiens (Human))
BDBM50232742
PNG
(CHEMBL4065699 | US11046670, Table 6.4)
Show SMILES CCOC(=O)CCN1CCN(CC1)c1ccc2[C@H]3C[C@@H](N(CC3)C(=O)OCc3ccccc3)c2c1
Show InChI InChI=1S/C28H35N3O4/c1-2-34-27(32)11-12-29-14-16-30(17-15-29)23-8-9-24-22-10-13-31(26(18-22)25(24)19-23)28(33)35-20-21-6-4-3-5-7-21/h3-9,19,22,26H,2,10-18,20H2,1H3/t22-,26-/m1/s1
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9.29E+3n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
Receptor binding assays were performed by the Psychoactive Drug Screening Program (PDSP) at Chapel Hill, N.C. The assay protocol book can be accessed...


US Patent US11046670 (2021)

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


(Homo sapiens (Human))
BDBM50232742
PNG
(CHEMBL4065699 | US11046670, Table 6.4)
Show SMILES CCOC(=O)CCN1CCN(CC1)c1ccc2[C@H]3C[C@@H](N(CC3)C(=O)OCc3ccccc3)c2c1
Show InChI InChI=1S/C28H35N3O4/c1-2-34-27(32)11-12-29-14-16-30(17-15-29)23-8-9-24-22-10-13-31(26(18-22)25(24)19-23)28(33)35-20-21-6-4-3-5-7-21/h3-9,19,22,26H,2,10-18,20H2,1H3/t22-,26-/m1/s1
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9.29E+3n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
Receptor binding assays were performed by the Psychoactive Drug Screening Program (PDSP) at Chapel Hill, N.C. The assay protocol book can be accessed...


US Patent US11046670 (2021)

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


(Homo sapiens (Human))
BDBM507036
PNG
(US11046670, Compound 35)
Show SMILES CN1CCN(CC1)c1ccc2[C@H]3C[C@@H](N(CC3)S(=O)(=O)c3ccccc3)c2c1
Show InChI InChI=1S/C22H27N3O2S/c1-23-11-13-24(14-12-23)18-7-8-20-17-9-10-25(22(15-17)21(20)16-18)28(26,27)19-5-3-2-4-6-19/h2-8,16-17,22H,9-15H2,1H3/t17-,22-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
Receptor binding assays were performed by the Psychoactive Drug Screening Program (PDSP) at Chapel Hill, N.C. The assay protocol book can be accessed...


US Patent US11046670 (2021)

More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Homo sapiens (Human))
BDBM507022
PNG
(US11046670, Compound 16)
Show SMILES O=C(OCc1ccccc1)N1CC[C@@H]2C[C@@H]1c1cc(ccc21)N1CCOCC1
Show InChI InChI=1S/C23H26N2O3/c26-23(28-16-17-4-2-1-3-5-17)25-9-8-18-14-22(25)21-15-19(6-7-20(18)21)24-10-12-27-13-11-24/h1-7,15,18,22H,8-14,16H2/t18-,22-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent




US Patent US11046670 (2021)

More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Homo sapiens (Human))
BDBM507021
PNG
(US11046670, Compound 12)
Show SMILES Clc1ccc2[C@H]3C[C@@H](N(CC3)C(=O)OCc3ccccc3)c2c1
Show InChI InChI=1S/C19H18ClNO2/c20-15-6-7-16-14-8-9-21(18(10-14)17(16)11-15)19(22)23-12-13-4-2-1-3-5-13/h1-7,11,14,18H,8-10,12H2/t14-,18-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent




US Patent US11046670 (2021)

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


(Homo sapiens (Human))
BDBM507021
PNG
(US11046670, Compound 12)
Show SMILES Clc1ccc2[C@H]3C[C@@H](N(CC3)C(=O)OCc3ccccc3)c2c1
Show InChI InChI=1S/C19H18ClNO2/c20-15-6-7-16-14-8-9-21(18(10-14)17(16)11-15)19(22)23-12-13-4-2-1-3-5-13/h1-7,11,14,18H,8-10,12H2/t14-,18-/m1/s1
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BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
Receptor binding assays were performed by the Psychoactive Drug Screening Program (PDSP) at Chapel Hill, N.C. The assay protocol book can be accessed...


US Patent US11046670 (2021)

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


(Homo sapiens (Human))
BDBM507034
PNG
(US11046670, Compound 33)
Show SMILES CN1CCN(CC1)c1ccc2[C@H]3C[C@@H](NCC3)c2c1
Show InChI InChI=1S/C16H23N3/c1-18-6-8-19(9-7-18)13-2-3-14-12-4-5-17-16(10-12)15(14)11-13/h2-3,11-12,16-17H,4-10H2,1H3/t12-,16-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
Receptor binding assays were performed by the Psychoactive Drug Screening Program (PDSP) at Chapel Hill, N.C. The assay protocol book can be accessed...


US Patent US11046670 (2021)

More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Homo sapiens (Human))
BDBM507034
PNG
(US11046670, Compound 33)
Show SMILES CN1CCN(CC1)c1ccc2[C@H]3C[C@@H](NCC3)c2c1
Show InChI InChI=1S/C16H23N3/c1-18-6-8-19(9-7-18)13-2-3-14-12-4-5-17-16(10-12)15(14)11-13/h2-3,11-12,16-17H,4-10H2,1H3/t12-,16-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent




US Patent US11046670 (2021)

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


(Homo sapiens (Human))
BDBM507022
PNG
(US11046670, Compound 16)
Show SMILES O=C(OCc1ccccc1)N1CC[C@@H]2C[C@@H]1c1cc(ccc21)N1CCOCC1
Show InChI InChI=1S/C23H26N2O3/c26-23(28-16-17-4-2-1-3-5-17)25-9-8-18-14-22(25)21-15-19(6-7-20(18)21)24-10-12-27-13-11-24/h1-7,15,18,22H,8-14,16H2/t18-,22-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
Receptor binding assays were performed by the Psychoactive Drug Screening Program (PDSP) at Chapel Hill, N.C. The assay protocol book can be accessed...


US Patent US11046670 (2021)

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