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Patent code US10954217

Compile Data Set for Download or QSAR
Found 86 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))
BDBM50370624
PNG
(CHEMBL4169752 | US10954217, Example 00234)
Show SMILES C(N1CCc2cc(ccc2C1)N1CCOCC1)c1ccccc1
Show InChI InChI=1S/C20H24N2O/c1-2-4-17(5-3-1)15-21-9-8-18-14-20(7-6-19(18)16-21)22-10-12-23-13-11-22/h1-7,14H,8-13,15-16H2
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1.70n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
TBD


US Patent US10954217 (2021)

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


(Homo sapiens (Human))
BDBM50370623
PNG
(CHEMBL4165863 | US10954217, Example 00237)
Show SMILES O=C(OCc1ccccc1)N1CCc2ccc(cc2C1)N1CCN(CC1)C1CCCC1
Show InChI InChI=1S/C26H33N3O2/c30-26(31-20-21-6-2-1-3-7-21)29-13-12-22-10-11-25(18-23(22)19-29)28-16-14-27(15-17-28)24-8-4-5-9-24/h1-3,6-7,10-11,18,24H,4-5,8-9,12-17,19-20H2
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2.70n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
TBD


US Patent US10954217 (2021)

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


(Homo sapiens (Human))
BDBM488134
PNG
(US10954217, Example Table 3.A16)
Show SMILES O=C(OCc1ccccc1)N1CCc2ccc(cc2C1)N1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C27H35N3O2/c31-27(32-21-22-7-3-1-4-8-22)30-14-13-23-11-12-26(19-24(23)20-30)29-17-15-28(16-18-29)25-9-5-2-6-10-25/h1,3-4,7-8,11-12,19,25H,2,5-6,9-10,13-18,20-21H2
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4n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
TBD


US Patent US10954217 (2021)

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


(Homo sapiens (Human))
BDBM50370603
PNG
(CHEMBL4167315 | US10954217, Example 00225)
Show SMILES COc1cccc(c1)-c1ccc2CN(Cc3ccccc3)Cc2c1
Show InChI InChI=1S/C22H21NO/c1-24-22-9-5-8-18(13-22)19-10-11-20-15-23(16-21(20)12-19)14-17-6-3-2-4-7-17/h2-13H,14-16H2,1H3
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4.10n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
TBD


US Patent US10954217 (2021)

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


(Homo sapiens (Human))
BDBM50370571
PNG
(CHEMBL4160064 | US10954217, Example 00236)
Show SMILES COc1cccc(c1)-c1ccc2CN(Cc3ccccc3)CCc2c1
Show InChI InChI=1S/C23H23NO/c1-25-23-9-5-8-19(15-23)20-10-11-22-17-24(13-12-21(22)14-20)16-18-6-3-2-4-7-18/h2-11,14-15H,12-13,16-17H2,1H3
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4.90n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
TBD


US Patent US10954217 (2021)

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


(Homo sapiens (Human))
BDBM50370662
PNG
(CHEMBL4161503 | US10954217, Example 00224)
Show SMILES C(N1Cc2ccc(cc2C1)N1CCOCC1)c1ccccc1
Show InChI InChI=1S/C19H22N2O/c1-2-4-16(5-3-1)13-20-14-17-6-7-19(12-18(17)15-20)21-8-10-22-11-9-21/h1-7,12H,8-11,13-15H2
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5.90n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
TBD


US Patent US10954217 (2021)

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


(Homo sapiens (Human))
BDBM50370661
PNG
(CHEMBL4175187 | US10954217, Example 00253)
Show SMILES C(N1CCCc2cc(ccc2C1)N1CCOCC1)c1ccccc1
Show InChI InChI=1S/C21H26N2O/c1-2-5-18(6-3-1)16-22-10-4-7-19-15-21(9-8-20(19)17-22)23-11-13-24-14-12-23/h1-3,5-6,8-9,15H,4,7,10-14,16-17H2
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6.10n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
TBD


US Patent US10954217 (2021)

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


(Homo sapiens (Human))
BDBM50370518
PNG
(CHEMBL4176474 | US10954217, Example 00229)
Show SMILES O=C(OCc1ccccc1)N1Cc2ccc(cc2C1)N1CCN(CC1)C1CCCC1
Show InChI InChI=1S/C25H31N3O2/c29-25(30-19-20-6-2-1-3-7-20)28-17-21-10-11-24(16-22(21)18-28)27-14-12-26(13-15-27)23-8-4-5-9-23/h1-3,6-7,10-11,16,23H,4-5,8-9,12-15,17-19H2
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8.20n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
TBD


US Patent US10954217 (2021)

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


(Homo sapiens (Human))
BDBM488147
PNG
(US10954217, Example Table 3.A29)
Show SMILES CCOC(=O)CCN1CCN(CC1)c1cccc2CCN(Cc12)C(=O)OCc1ccccc1
Show InChI InChI=1S/C26H33N3O4/c1-2-32-25(30)12-13-27-15-17-28(18-16-27)24-10-6-9-22-11-14-29(19-23(22)24)26(31)33-20-21-7-4-3-5-8-21/h3-10H,2,11-20H2,1H3
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11.7n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
TBD


US Patent US10954217 (2021)

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


(Homo sapiens (Human))
BDBM50370628
PNG
(CHEMBL4166276 | US10954217, Example 00262)
Show SMILES O=C(OCc1ccccc1)N1CCCc2ccc(cc2C1)N1CCN(CC1)C1CCCC1
Show InChI InChI=1S/C27H35N3O2/c31-27(32-21-22-7-2-1-3-8-22)30-14-6-9-23-12-13-26(19-24(23)20-30)29-17-15-28(16-18-29)25-10-4-5-11-25/h1-3,7-8,12-13,19,25H,4-6,9-11,14-18,20-21H2
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13n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
TBD


US Patent US10954217 (2021)

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


(Homo sapiens (Human))
BDBM488155
PNG
(US10954217, Example Table 3.A37)
Show SMILES CCCN1CCN(CC1)c1ccc2CCCN(Cc2c1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C25H33N3O2/c1-2-12-26-14-16-27(17-15-26)24-11-10-22-9-6-13-28(19-23(22)18-24)25(29)30-20-21-7-4-3-5-8-21/h3-5,7-8,10-11,18H,2,6,9,12-17,19-20H2,1H3
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14n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
TBD


US Patent US10954217 (2021)

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


(Homo sapiens (Human))
BDBM488155
PNG
(US10954217, Example Table 3.A37)
Show SMILES CCCN1CCN(CC1)c1ccc2CCCN(Cc2c1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C25H33N3O2/c1-2-12-26-14-16-27(17-15-26)24-11-10-22-9-6-13-28(19-23(22)18-24)25(29)30-20-21-7-4-3-5-8-21/h3-5,7-8,10-11,18H,2,6,9,12-17,19-20H2,1H3
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15n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
TBD


US Patent US10954217 (2021)

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


(Homo sapiens (Human))
BDBM488142
PNG
(US10954217, Example KTL-01-264)
Show SMILES Clc1cc(Cl)cc(c1)S(=O)(=O)N1CCc2ccc(cc2C1)N1CCN(CC=C)CC1
Show InChI InChI=1S/C22H25Cl2N3O2S/c1-2-6-25-8-10-26(11-9-25)21-4-3-17-5-7-27(16-18(17)12-21)30(28,29)22-14-19(23)13-20(24)15-22/h2-4,12-15H,1,5-11,16H2
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17n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
TBD


US Patent US10954217 (2021)

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


(Homo sapiens (Human))
BDBM488146
PNG
(US10954217, Example Table 3.A28)
Show SMILES O=C(OCc1ccccc1)N1CCc2cccc(N3CCN(CC3)C3CCCC3)c2C1
Show InChI InChI=1S/C26H33N3O2/c30-26(31-20-21-7-2-1-3-8-21)29-14-13-22-9-6-12-25(24(22)19-29)28-17-15-27(16-18-28)23-10-4-5-11-23/h1-3,6-9,12,23H,4-5,10-11,13-20H2
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17n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
TBD


US Patent US10954217 (2021)

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


(Homo sapiens (Human))
BDBM50370619
PNG
(CHEMBL4162416 | US10954217, Example 00264)
Show SMILES CC(=C)CN1CCN(CC1)c1ccc2CCCN(Cc2c1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C26H33N3O2/c1-21(2)18-27-13-15-28(16-14-27)25-11-10-23-9-6-12-29(19-24(23)17-25)26(30)31-20-22-7-4-3-5-8-22/h3-5,7-8,10-11,17H,1,6,9,12-16,18-20H2,2H3
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19n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
TBD


US Patent US10954217 (2021)

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


(Homo sapiens (Human))
BDBM488123
PNG
(US10954217, Example Table 3.A5)
Show SMILES CCCN1CCN(CC1)c1ccc2CN(Cc2c1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C23H29N3O2/c1-2-10-24-11-13-25(14-12-24)22-9-8-20-16-26(17-21(20)15-22)23(27)28-18-19-6-4-3-5-7-19/h3-9,15H,2,10-14,16-18H2,1H3
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19n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
TBD


US Patent US10954217 (2021)

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


(Homo sapiens (Human))
BDBM50370928
PNG
(CHEMBL4170703 | US10954217, Example 00255)
Show SMILES COc1cccc(c1)-c1ccc2CN(Cc3ccccc3)CCCc2c1
Show InChI InChI=1S/C24H25NO/c1-26-24-11-5-9-21(16-24)22-12-13-23-18-25(14-6-10-20(23)15-22)17-19-7-3-2-4-8-19/h2-5,7-9,11-13,15-16H,6,10,14,17-18H2,1H3
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21n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
TBD


US Patent US10954217 (2021)

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


(Homo sapiens (Human))
BDBM488128
PNG
(US10954217, Example KTL-01-276)
Show SMILES Clc1cc(Cl)cc(c1)S(=O)(=O)N1Cc2ccc(cc2C1)N1CCN(CC=C)CC1
Show InChI InChI=1S/C21H23Cl2N3O2S/c1-2-5-24-6-8-25(9-7-24)20-4-3-16-14-26(15-17(16)10-20)29(27,28)21-12-18(22)11-19(23)13-21/h2-4,10-13H,1,5-9,14-15H2
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23n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
TBD


US Patent US10954217 (2021)

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


(Homo sapiens (Human))
BDBM488128
PNG
(US10954217, Example KTL-01-276)
Show SMILES Clc1cc(Cl)cc(c1)S(=O)(=O)N1Cc2ccc(cc2C1)N1CCN(CC=C)CC1
Show InChI InChI=1S/C21H23Cl2N3O2S/c1-2-5-24-6-8-25(9-7-24)20-4-3-16-14-26(15-17(16)10-20)29(27,28)21-12-18(22)11-19(23)13-21/h2-4,10-13H,1,5-9,14-15H2
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25n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
TBD


US Patent US10954217 (2021)

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


(Homo sapiens (Human))
BDBM50370625
PNG
(CHEMBL4173095 | US10954217, Example 00241)
Show SMILES CC(=C)CN1CCN(CC1)c1ccc2CCN(Cc2c1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C25H31N3O2/c1-20(2)17-26-12-14-27(15-13-26)24-9-8-22-10-11-28(18-23(22)16-24)25(29)30-19-21-6-4-3-5-7-21/h3-9,16H,1,10-15,17-19H2,2H3
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25n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
TBD


US Patent US10954217 (2021)

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


(Homo sapiens (Human))
BDBM488140
PNG
(US10954217, Example KTL-01-257)
Show SMILES CN1CCN(CC1)c1ccc2CCN(Cc2c1)S(=O)(=O)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C20H23Cl2N3O2S/c1-23-6-8-24(9-7-23)19-3-2-15-4-5-25(14-16(15)10-19)28(26,27)20-12-17(21)11-18(22)13-20/h2-3,10-13H,4-9,14H2,1H3
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27n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
TBD


US Patent US10954217 (2021)

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


(Homo sapiens (Human))
BDBM488153
PNG
(US10954217, Example Table 3.A35)
Show SMILES CCN1CCN(CC1)c1ccc2CCCN(Cc2c1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C24H31N3O2/c1-2-25-13-15-26(16-14-25)23-11-10-21-9-6-12-27(18-22(21)17-23)24(28)29-19-20-7-4-3-5-8-20/h3-5,7-8,10-11,17H,2,6,9,12-16,18-19H2,1H3
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31n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
TBD


US Patent US10954217 (2021)

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


(Homo sapiens (Human))
BDBM50370624
PNG
(CHEMBL4169752 | US10954217, Example 00234)
Show SMILES C(N1CCc2cc(ccc2C1)N1CCOCC1)c1ccccc1
Show InChI InChI=1S/C20H24N2O/c1-2-4-17(5-3-1)15-21-9-8-18-14-20(7-6-19(18)16-21)22-10-12-23-13-11-22/h1-7,14H,8-13,15-16H2
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33n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
TBD


US Patent US10954217 (2021)

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


(Homo sapiens (Human))
BDBM488134
PNG
(US10954217, Example Table 3.A16)
Show SMILES O=C(OCc1ccccc1)N1CCc2ccc(cc2C1)N1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C27H35N3O2/c31-27(32-21-22-7-3-1-4-8-22)30-14-13-23-11-12-26(19-24(23)20-30)29-17-15-28(16-18-29)25-9-5-2-6-10-25/h1,3-4,7-8,11-12,19,25H,2,5-6,9-10,13-18,20-21H2
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35n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
TBD


US Patent US10954217 (2021)

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


(Homo sapiens (Human))
BDBM488137
PNG
(US10954217, Example Table 3.A19)
Show SMILES C=CCN1CCN(CC1)c1ccc2CN(CCc2c1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C24H29N3O2/c1-2-11-25-13-15-26(16-14-25)23-9-8-22-18-27(12-10-21(22)17-23)24(28)29-19-20-6-4-3-5-7-20/h2-9,17H,1,10-16,18-19H2
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36n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
TBD


US Patent US10954217 (2021)

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


(Homo sapiens (Human))
BDBM488130
PNG
(US10954217, Example Table 3.A12)
Show SMILES O=C(OCc1ccccc1)N1CCc2ccc(cc2C1)N1CCN(CC1)C1CCC1
Show InChI InChI=1S/C25H31N3O2/c29-25(30-19-20-5-2-1-3-6-20)28-12-11-21-9-10-24(17-22(21)18-28)27-15-13-26(14-16-27)23-7-4-8-23/h1-3,5-6,9-10,17,23H,4,7-8,11-16,18-19H2
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39n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
TBD


US Patent US10954217 (2021)

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


(Homo sapiens (Human))
BDBM50370518
PNG
(CHEMBL4176474 | US10954217, Example 00229)
Show SMILES O=C(OCc1ccccc1)N1Cc2ccc(cc2C1)N1CCN(CC1)C1CCCC1
Show InChI InChI=1S/C25H31N3O2/c29-25(30-19-20-6-2-1-3-7-20)28-17-21-10-11-24(16-22(21)18-28)27-14-12-26(13-15-27)23-8-4-5-9-23/h1-3,6-7,10-11,16,23H,4-5,8-9,12-15,17-19H2
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44n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
TBD


US Patent US10954217 (2021)

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


(Homo sapiens (Human))
BDBM50370619
PNG
(CHEMBL4162416 | US10954217, Example 00264)
Show SMILES CC(=C)CN1CCN(CC1)c1ccc2CCCN(Cc2c1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C26H33N3O2/c1-21(2)18-27-13-15-28(16-14-27)25-11-10-23-9-6-12-29(19-24(23)17-25)26(30)31-20-22-7-4-3-5-8-22/h3-5,7-8,10-11,17H,1,6,9,12-16,18-20H2,2H3
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48n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
TBD


US Patent US10954217 (2021)

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


(Homo sapiens (Human))
BDBM50370628
PNG
(CHEMBL4166276 | US10954217, Example 00262)
Show SMILES O=C(OCc1ccccc1)N1CCCc2ccc(cc2C1)N1CCN(CC1)C1CCCC1
Show InChI InChI=1S/C27H35N3O2/c31-27(32-21-22-7-2-1-3-8-22)30-14-6-9-23-12-13-26(19-24(23)20-30)29-17-15-28(16-18-29)25-10-4-5-11-25/h1-3,7-8,12-13,19,25H,4-6,9-11,14-18,20-21H2
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49n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
TBD


US Patent US10954217 (2021)

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


(Homo sapiens (Human))
BDBM488143
PNG
(US10954217, Example Table 3.A25)
Show SMILES CCCN1CCN(CC1)c1ccc2CCN(Cc2c1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C24H31N3O2/c1-2-11-25-13-15-26(16-14-25)23-9-8-21-10-12-27(18-22(21)17-23)24(28)29-19-20-6-4-3-5-7-20/h3-9,17H,2,10-16,18-19H2,1H3
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50n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
TBD


US Patent US10954217 (2021)

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


(Homo sapiens (Human))
BDBM50370623
PNG
(CHEMBL4165863 | US10954217, Example 00237)
Show SMILES O=C(OCc1ccccc1)N1CCc2ccc(cc2C1)N1CCN(CC1)C1CCCC1
Show InChI InChI=1S/C26H33N3O2/c30-26(31-20-21-6-2-1-3-7-21)29-13-12-22-10-11-25(18-23(22)19-29)28-16-14-27(15-17-28)24-8-4-5-9-24/h1-3,6-7,10-11,18,24H,4-5,8-9,12-17,19-20H2
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51n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
TBD


US Patent US10954217 (2021)

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


(Homo sapiens (Human))
BDBM488158
PNG
(US10954217, Example Table 3.A40)
Show SMILES CN1CCN(CC1)c1ccc2CCCN(Cc2c1)S(=O)(=O)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C21H25Cl2N3O2S/c1-24-7-9-25(10-8-24)20-5-4-16-3-2-6-26(15-17(16)11-20)29(27,28)21-13-18(22)12-19(23)14-21/h4-5,11-14H,2-3,6-10,15H2,1H3
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52n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
TBD


US Patent US10954217 (2021)

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


(Homo sapiens (Human))
BDBM488142
PNG
(US10954217, Example KTL-01-264)
Show SMILES Clc1cc(Cl)cc(c1)S(=O)(=O)N1CCc2ccc(cc2C1)N1CCN(CC=C)CC1
Show InChI InChI=1S/C22H25Cl2N3O2S/c1-2-6-25-8-10-26(11-9-25)21-4-3-17-5-7-27(16-18(17)12-21)30(28,29)22-14-19(23)13-20(24)15-22/h2-4,12-15H,1,5-11,16H2
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54n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
TBD


US Patent US10954217 (2021)

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


(Homo sapiens (Human))
BDBM488145
PNG
(US10954217, Example Table 3.A27)
Show SMILES CN1CCN(CC1)c1cccc2CCN(Cc12)C(=O)OCc1ccccc1
Show InChI InChI=1S/C22H27N3O2/c1-23-12-14-24(15-13-23)21-9-5-8-19-10-11-25(16-20(19)21)22(26)27-17-18-6-3-2-4-7-18/h2-9H,10-17H2,1H3
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54n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
TBD


US Patent US10954217 (2021)

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


(Homo sapiens (Human))
BDBM488160
PNG
(US10954217, Example Table 3.A42)
Show SMILES Clc1cc(Cl)cc(c1)S(=O)(=O)N1CCCc2ccc(cc2C1)N1CCN(CC=C)CC1
Show InChI InChI=1S/C23H27Cl2N3O2S/c1-2-7-26-9-11-27(12-10-26)22-6-5-18-4-3-8-28(17-19(18)13-22)31(29,30)23-15-20(24)14-21(25)16-23/h2,5-6,13-16H,1,3-4,7-12,17H2
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56n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
TBD


US Patent US10954217 (2021)

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


(Homo sapiens (Human))
BDBM50370571
PNG
(CHEMBL4160064 | US10954217, Example 00236)
Show SMILES COc1cccc(c1)-c1ccc2CN(Cc3ccccc3)CCc2c1
Show InChI InChI=1S/C23H23NO/c1-25-23-9-5-8-19(15-23)20-10-11-22-17-24(13-12-21(22)14-20)16-18-6-3-2-4-7-18/h2-11,14-15H,12-13,16-17H2,1H3
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57n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
TBD


US Patent US10954217 (2021)

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


(Homo sapiens (Human))
BDBM50370603
PNG
(CHEMBL4167315 | US10954217, Example 00225)
Show SMILES COc1cccc(c1)-c1ccc2CN(Cc3ccccc3)Cc2c1
Show InChI InChI=1S/C22H21NO/c1-24-22-9-5-8-18(13-22)19-10-11-20-15-23(16-21(20)12-19)14-17-6-3-2-4-7-17/h2-13H,14-16H2,1H3
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65n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
TBD


US Patent US10954217 (2021)

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


(Homo sapiens (Human))
BDBM488123
PNG
(US10954217, Example Table 3.A5)
Show SMILES CCCN1CCN(CC1)c1ccc2CN(Cc2c1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C23H29N3O2/c1-2-10-24-11-13-25(14-12-24)22-9-8-20-16-26(17-21(20)15-22)23(27)28-18-19-6-4-3-5-7-19/h3-9,15H,2,10-14,16-18H2,1H3
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77n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
TBD


US Patent US10954217 (2021)

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


(Homo sapiens (Human))
BDBM50370661
PNG
(CHEMBL4175187 | US10954217, Example 00253)
Show SMILES C(N1CCCc2cc(ccc2C1)N1CCOCC1)c1ccccc1
Show InChI InChI=1S/C21H26N2O/c1-2-5-18(6-3-1)16-22-10-4-7-19-15-21(9-8-20(19)17-22)23-11-13-24-14-12-23/h1-3,5-6,8-9,15H,4,7,10-14,16-17H2
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81n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
TBD


US Patent US10954217 (2021)

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


(Homo sapiens (Human))
BDBM50370626
PNG
(CHEMBL4159034 | US10954217, Example 00266)
Show SMILES CCOC(=O)CCN1CCN(CC1)c1ccc2CCCN(Cc2c1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C27H35N3O4/c1-2-33-26(31)12-14-28-15-17-29(18-16-28)25-11-10-23-9-6-13-30(20-24(23)19-25)27(32)34-21-22-7-4-3-5-8-22/h3-5,7-8,10-11,19H,2,6,9,12-18,20-21H2,1H3
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83n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
TBD


US Patent US10954217 (2021)

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


(Homo sapiens (Human))
BDBM488143
PNG
(US10954217, Example Table 3.A25)
Show SMILES CCCN1CCN(CC1)c1ccc2CCN(Cc2c1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C24H31N3O2/c1-2-11-25-13-15-26(16-14-25)23-9-8-21-10-12-27(18-22(21)17-23)24(28)29-19-20-6-4-3-5-7-20/h3-9,17H,2,10-16,18-19H2,1H3
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85n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
TBD


US Patent US10954217 (2021)

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


(Homo sapiens (Human))
BDBM488141
PNG
(US10954217, Example Table 3.A23)
Show SMILES CCN1CCN(CC1)c1ccc2CCN(Cc2c1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C23H29N3O2/c1-2-24-12-14-25(15-13-24)22-9-8-20-10-11-26(17-21(20)16-22)23(27)28-18-19-6-4-3-5-7-19/h3-9,16H,2,10-15,17-18H2,1H3
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85n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
TBD


US Patent US10954217 (2021)

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


(Homo sapiens (Human))
BDBM488144
PNG
(US10954217, Example KTL-01-184)
Show SMILES Clc1cc(Cl)cc(CN2CCc3ccc(cc3C2)N2CCOCC2)c1
Show InChI InChI=1S/C20H22Cl2N2O/c21-18-9-15(10-19(22)12-18)13-23-4-3-16-1-2-20(11-17(16)14-23)24-5-7-25-8-6-24/h1-2,9-12H,3-8,13-14H2
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86n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
TBD


US Patent US10954217 (2021)

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


(Homo sapiens (Human))
BDBM488121
PNG
(US10954217, Example KTL-01-121)
Show SMILES Clc1cc(Cl)cc(CN2Cc3ccc(cc3C2)N2CCOCC2)c1
Show InChI InChI=1S/C19H20Cl2N2O/c20-17-7-14(8-18(21)10-17)11-22-12-15-1-2-19(9-16(15)13-22)23-3-5-24-6-4-23/h1-2,7-10H,3-6,11-13H2
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89n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
TBD


US Patent US10954217 (2021)

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


(Homo sapiens (Human))
BDBM50370609
PNG
(CHEMBL4177497 | US10954217, Example 00230)
Show SMILES CC(=C)CN1CCN(CC1)c1ccc2CN(Cc2c1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C24H29N3O2/c1-19(2)15-25-10-12-26(13-11-25)23-9-8-21-16-27(17-22(21)14-23)24(28)29-18-20-6-4-3-5-7-20/h3-9,14H,1,10-13,15-18H2,2H3
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92n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
TBD


US Patent US10954217 (2021)

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


(Homo sapiens (Human))
BDBM488127
PNG
(US10954217, Example KTL-01-253)
Show SMILES CN1CCN(CC1)c1ccc2CN(Cc2c1)S(=O)(=O)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C19H21Cl2N3O2S/c1-22-4-6-23(7-5-22)18-3-2-14-12-24(13-15(14)8-18)27(25,26)19-10-16(20)9-17(21)11-19/h2-3,8-11H,4-7,12-13H2,1H3
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95n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
TBD


US Patent US10954217 (2021)

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


(Homo sapiens (Human))
BDBM488146
PNG
(US10954217, Example Table 3.A28)
Show SMILES O=C(OCc1ccccc1)N1CCc2cccc(N3CCN(CC3)C3CCCC3)c2C1
Show InChI InChI=1S/C26H33N3O2/c30-26(31-20-21-7-2-1-3-8-21)29-14-13-22-9-6-12-25(24(22)19-29)28-17-15-27(16-18-28)23-10-4-5-11-23/h1-3,6-9,12,23H,4-5,10-11,13-20H2
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97n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
TBD


US Patent US10954217 (2021)

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


(Homo sapiens (Human))
BDBM488158
PNG
(US10954217, Example Table 3.A40)
Show SMILES CN1CCN(CC1)c1ccc2CCCN(Cc2c1)S(=O)(=O)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C21H25Cl2N3O2S/c1-24-7-9-25(10-8-24)20-5-4-16-3-2-6-26(15-17(16)11-20)29(27,28)21-13-18(22)12-19(23)14-21/h4-5,11-14H,2-3,6-10,15H2,1H3
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100n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
TBD


US Patent US10954217 (2021)

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


(Homo sapiens (Human))
BDBM488121
PNG
(US10954217, Example KTL-01-121)
Show SMILES Clc1cc(Cl)cc(CN2Cc3ccc(cc3C2)N2CCOCC2)c1
Show InChI InChI=1S/C19H20Cl2N2O/c20-17-7-14(8-18(21)10-17)11-22-12-15-1-2-19(9-16(15)13-22)23-3-5-24-6-4-23/h1-2,7-10H,3-6,11-13H2
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114n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
TBD


US Patent US10954217 (2021)

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


(Homo sapiens (Human))
BDBM488156
PNG
(US10954217, Example Table 3.A38)
Show SMILES C=CCN1CCN(CC1)c1ccc2CN(CCCc2c1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C25H31N3O2/c1-2-12-26-14-16-27(17-15-26)24-11-10-23-19-28(13-6-9-22(23)18-24)25(29)30-20-21-7-4-3-5-8-21/h2-5,7-8,10-11,18H,1,6,9,12-17,19-20H2
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116n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
TBD


US Patent US10954217 (2021)

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


(Homo sapiens (Human))
BDBM488141
PNG
(US10954217, Example Table 3.A23)
Show SMILES CCN1CCN(CC1)c1ccc2CCN(Cc2c1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C23H29N3O2/c1-2-24-12-14-25(15-13-24)22-9-8-20-10-11-26(17-21(20)16-22)23(27)28-18-19-6-4-3-5-7-19/h3-9,16H,2,10-15,17-18H2,1H3
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117n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
TBD


US Patent US10954217 (2021)

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


(Homo sapiens (Human))
BDBM488154
PNG
(US10954217, Example Table 3.A36)
Show SMILES CC(=C)CN1CCN(CC1)c1ccc2CN(CCCc2c1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C26H33N3O2/c1-21(2)18-27-13-15-28(16-14-27)25-11-10-24-19-29(12-6-9-23(24)17-25)26(30)31-20-22-7-4-3-5-8-22/h3-5,7-8,10-11,17H,1,6,9,12-16,18-20H2,2H3
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117n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
TBD


US Patent US10954217 (2021)

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


(Homo sapiens (Human))
BDBM488140
PNG
(US10954217, Example KTL-01-257)
Show SMILES CN1CCN(CC1)c1ccc2CCN(Cc2c1)S(=O)(=O)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C20H23Cl2N3O2S/c1-23-6-8-24(9-7-23)19-3-2-15-4-5-25(14-16(15)10-19)28(26,27)20-12-17(21)11-18(22)13-20/h2-3,10-13H,4-9,14H2,1H3
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123n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
TBD


US Patent US10954217 (2021)

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


(Homo sapiens (Human))
BDBM50370704
PNG
(CHEMBL4174128 | US10954217, Example 00244)
Show SMILES CN1CCN(CC1)c1ccc2CCN(Cc2c1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C22H27N3O2/c1-23-11-13-24(14-12-23)21-8-7-19-9-10-25(16-20(19)15-21)22(26)27-17-18-5-3-2-4-6-18/h2-8,15H,9-14,16-17H2,1H3
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129n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
TBD


US Patent US10954217 (2021)

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


(Homo sapiens (Human))
BDBM488135
PNG
(US10954217, Example Table 3.A17)
Show SMILES CC(=C)CN1CCN(CC1)c1ccc2CN(CCc2c1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C25H31N3O2/c1-20(2)17-26-12-14-27(15-13-26)24-9-8-23-18-28(11-10-22(23)16-24)25(29)30-19-21-6-4-3-5-7-21/h3-9,16H,1,10-15,17-19H2,2H3
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US Patent
134n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
TBD


US Patent US10954217 (2021)

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


(Homo sapiens (Human))
BDBM50370597
PNG
(CHEMBL4174189 | US10954217, Example 00231)
Show SMILES CCOC(=O)CCN1CCN(CC1)c1ccc2CN(Cc2c1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C25H31N3O4/c1-2-31-24(29)10-11-26-12-14-27(15-13-26)23-9-8-21-17-28(18-22(21)16-23)25(30)32-19-20-6-4-3-5-7-20/h3-9,16H,2,10-15,17-19H2,1H3
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134n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
TBD


US Patent US10954217 (2021)

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


(Homo sapiens (Human))
BDBM50370709
PNG
(CHEMBL4166883 | US10954217, Example 00256)
Show SMILES CN1CCN(CC1)c1ccc2CCCN(Cc2c1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C23H29N3O2/c1-24-12-14-25(15-13-24)22-10-9-20-8-5-11-26(17-21(20)16-22)23(27)28-18-19-6-3-2-4-7-19/h2-4,6-7,9-10,16H,5,8,11-15,17-18H2,1H3
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151n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
TBD


US Patent US10954217 (2021)

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


(Homo sapiens (Human))
BDBM50370609
PNG
(CHEMBL4177497 | US10954217, Example 00230)
Show SMILES CC(=C)CN1CCN(CC1)c1ccc2CN(Cc2c1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C24H29N3O2/c1-19(2)15-25-10-12-26(13-11-25)23-9-8-21-16-27(17-22(21)14-23)24(28)29-18-20-6-4-3-5-7-20/h3-9,14H,1,10-13,15-18H2,2H3
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153n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
TBD


US Patent US10954217 (2021)

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


(Homo sapiens (Human))
BDBM488160
PNG
(US10954217, Example Table 3.A42)
Show SMILES Clc1cc(Cl)cc(c1)S(=O)(=O)N1CCCc2ccc(cc2C1)N1CCN(CC=C)CC1
Show InChI InChI=1S/C23H27Cl2N3O2S/c1-2-7-26-9-11-27(12-10-26)22-6-5-18-4-3-8-28(17-19(18)13-22)31(29,30)23-15-20(24)14-21(25)16-23/h2,5-6,13-16H,1,3-4,7-12,17H2
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159n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
TBD


US Patent US10954217 (2021)

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


(Homo sapiens (Human))
BDBM488152
PNG
(US10954217, Example Table 3.A34)
Show SMILES CN1CCN(CC1)c1ccc2CN(CCCc2c1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C23H29N3O2/c1-24-12-14-25(15-13-24)22-10-9-21-17-26(11-5-8-20(21)16-22)23(27)28-18-19-6-3-2-4-7-19/h2-4,6-7,9-10,16H,5,8,11-15,17-18H2,1H3
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162n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
TBD


US Patent US10954217 (2021)

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


(Homo sapiens (Human))
BDBM50370662
PNG
(CHEMBL4161503 | US10954217, Example 00224)
Show SMILES C(N1Cc2ccc(cc2C1)N1CCOCC1)c1ccccc1
Show InChI InChI=1S/C19H22N2O/c1-2-4-16(5-3-1)13-20-14-17-6-7-19(12-18(17)15-20)21-8-10-22-11-9-21/h1-7,12H,8-11,13-15H2
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166n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
TBD


US Patent US10954217 (2021)

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


(Homo sapiens (Human))
BDBM488154
PNG
(US10954217, Example Table 3.A36)
Show SMILES CC(=C)CN1CCN(CC1)c1ccc2CN(CCCc2c1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C26H33N3O2/c1-21(2)18-27-13-15-28(16-14-27)25-11-10-24-19-29(12-6-9-23(24)17-25)26(30)31-20-22-7-4-3-5-8-22/h3-5,7-8,10-11,17H,1,6,9,12-16,18-20H2,2H3
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179n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
TBD


US Patent US10954217 (2021)

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


(Homo sapiens (Human))
BDBM488130
PNG
(US10954217, Example Table 3.A12)
Show SMILES O=C(OCc1ccccc1)N1CCc2ccc(cc2C1)N1CCN(CC1)C1CCC1
Show InChI InChI=1S/C25H31N3O2/c29-25(30-19-20-5-2-1-3-6-20)28-12-11-21-9-10-24(17-22(21)18-28)27-15-13-26(14-16-27)23-7-4-8-23/h1-3,5-6,9-10,17,23H,4,7-8,11-16,18-19H2
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181n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
TBD


US Patent US10954217 (2021)

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


(Homo sapiens (Human))
BDBM488135
PNG
(US10954217, Example Table 3.A17)
Show SMILES CC(=C)CN1CCN(CC1)c1ccc2CN(CCc2c1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C25H31N3O2/c1-20(2)17-26-12-14-27(15-13-26)24-9-8-23-18-28(11-10-22(23)16-24)25(29)30-19-21-6-4-3-5-7-21/h3-9,16H,1,10-15,17-19H2,2H3
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186n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
TBD


US Patent US10954217 (2021)

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


(Homo sapiens (Human))
BDBM50370627
PNG
(CHEMBL4169689 | US10954217, Example 00243)
Show SMILES CCOC(=O)CCN1CCN(CC1)c1ccc2CCN(Cc2c1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C26H33N3O4/c1-2-32-25(30)11-12-27-14-16-28(17-15-27)24-9-8-22-10-13-29(19-23(22)18-24)26(31)33-20-21-6-4-3-5-7-21/h3-9,18H,2,10-17,19-20H2,1H3
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198n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
TBD


US Patent US10954217 (2021)

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


(Homo sapiens (Human))
BDBM488127
PNG
(US10954217, Example KTL-01-253)
Show SMILES CN1CCN(CC1)c1ccc2CN(Cc2c1)S(=O)(=O)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C19H21Cl2N3O2S/c1-22-4-6-23(7-5-22)18-3-2-14-12-24(13-15(14)8-18)27(25,26)19-10-16(20)9-17(21)11-19/h2-3,8-11H,4-7,12-13H2,1H3
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205n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
TBD


US Patent US10954217 (2021)

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


(Homo sapiens (Human))
BDBM488153
PNG
(US10954217, Example Table 3.A35)
Show SMILES CCN1CCN(CC1)c1ccc2CCCN(Cc2c1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C24H31N3O2/c1-2-25-13-15-26(16-14-25)23-11-10-21-9-6-12-27(18-22(21)17-23)24(28)29-19-20-7-4-3-5-8-20/h3-5,7-8,10-11,17H,2,6,9,12-16,18-19H2,1H3
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228n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
TBD


US Patent US10954217 (2021)

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


(Homo sapiens (Human))
BDBM488137
PNG
(US10954217, Example Table 3.A19)
Show SMILES C=CCN1CCN(CC1)c1ccc2CN(CCc2c1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C24H29N3O2/c1-2-11-25-13-15-26(16-14-25)23-9-8-22-18-27(12-10-21(22)17-23)24(28)29-19-20-6-4-3-5-7-20/h2-9,17H,1,10-16,18-19H2
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235n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
TBD


US Patent US10954217 (2021)

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


(Homo sapiens (Human))
BDBM50370625
PNG
(CHEMBL4173095 | US10954217, Example 00241)
Show SMILES CC(=C)CN1CCN(CC1)c1ccc2CCN(Cc2c1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C25H31N3O2/c1-20(2)17-26-12-14-27(15-13-26)24-9-8-22-10-11-28(18-23(22)16-24)25(29)30-19-21-6-4-3-5-7-21/h3-9,16H,1,10-15,17-19H2,2H3
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245n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
TBD


US Patent US10954217 (2021)

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


(Homo sapiens (Human))
BDBM50370517
PNG
(CHEMBL4163428 | US10954217, Example 00227)
Show SMILES CN1CCN(CC1)c1ccc2CN(Cc2c1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C21H25N3O2/c1-22-9-11-23(12-10-22)20-8-7-18-14-24(15-19(18)13-20)21(25)26-16-17-5-3-2-4-6-17/h2-8,13H,9-12,14-16H2,1H3
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250n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
TBD


US Patent US10954217 (2021)

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


(Homo sapiens (Human))
BDBM488156
PNG
(US10954217, Example Table 3.A38)
Show SMILES C=CCN1CCN(CC1)c1ccc2CN(CCCc2c1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C25H31N3O2/c1-2-12-26-14-16-27(17-15-26)24-11-10-23-19-28(13-6-9-22(23)18-24)25(29)30-20-21-7-4-3-5-8-21/h2-5,7-8,10-11,18H,1,6,9,12-17,19-20H2
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268n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
TBD


US Patent US10954217 (2021)

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


(Homo sapiens (Human))
BDBM488133
PNG
(US10954217, Example KTL-01-Table 3.A15)
Show SMILES CN1CCN(CC1)c1ccc2CN(CCc2c1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C22H27N3O2/c1-23-11-13-24(14-12-23)21-8-7-20-16-25(10-9-19(20)15-21)22(26)27-17-18-5-3-2-4-6-18/h2-8,15H,9-14,16-17H2,1H3
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276n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
TBD


US Patent US10954217 (2021)

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


(Homo sapiens (Human))
BDBM50370704
PNG
(CHEMBL4174128 | US10954217, Example 00244)
Show SMILES CN1CCN(CC1)c1ccc2CCN(Cc2c1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C22H27N3O2/c1-23-11-13-24(14-12-23)21-8-7-19-9-10-25(16-20(19)15-21)22(26)27-17-18-5-3-2-4-6-18/h2-8,15H,9-14,16-17H2,1H3
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314n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
TBD


US Patent US10954217 (2021)

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


(Homo sapiens (Human))
BDBM50370597
PNG
(CHEMBL4174189 | US10954217, Example 00231)
Show SMILES CCOC(=O)CCN1CCN(CC1)c1ccc2CN(Cc2c1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C25H31N3O4/c1-2-31-24(29)10-11-26-12-14-27(15-13-26)23-9-8-21-17-28(18-22(21)16-23)25(30)32-19-20-6-4-3-5-7-20/h3-9,16H,2,10-15,17-19H2,1H3
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352n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
TBD


US Patent US10954217 (2021)

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


(Homo sapiens (Human))
BDBM50370709
PNG
(CHEMBL4166883 | US10954217, Example 00256)
Show SMILES CN1CCN(CC1)c1ccc2CCCN(Cc2c1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C23H29N3O2/c1-24-12-14-25(15-13-24)22-10-9-20-8-5-11-26(17-21(20)16-22)23(27)28-18-19-6-3-2-4-7-19/h2-4,6-7,9-10,16H,5,8,11-15,17-18H2,1H3
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355n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
TBD


US Patent US10954217 (2021)

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


(Homo sapiens (Human))
BDBM50370626
PNG
(CHEMBL4159034 | US10954217, Example 00266)
Show SMILES CCOC(=O)CCN1CCN(CC1)c1ccc2CCCN(Cc2c1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C27H35N3O4/c1-2-33-26(31)12-14-28-15-17-29(18-16-28)25-11-10-23-9-6-13-30(20-24(23)19-25)27(32)34-21-22-7-4-3-5-8-22/h3-5,7-8,10-11,19H,2,6,9,12-18,20-21H2,1H3
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368n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
TBD


US Patent US10954217 (2021)

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


(Homo sapiens (Human))
BDBM50370627
PNG
(CHEMBL4169689 | US10954217, Example 00243)
Show SMILES CCOC(=O)CCN1CCN(CC1)c1ccc2CCN(Cc2c1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C26H33N3O4/c1-2-32-25(30)11-12-27-14-16-28(17-15-27)24-9-8-22-10-13-29(19-23(22)18-24)26(31)33-20-21-6-4-3-5-7-21/h3-9,18H,2,10-17,19-20H2,1H3
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407n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
TBD


US Patent US10954217 (2021)

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


(Homo sapiens (Human))
BDBM50370928
PNG
(CHEMBL4170703 | US10954217, Example 00255)
Show SMILES COc1cccc(c1)-c1ccc2CN(Cc3ccccc3)CCCc2c1
Show InChI InChI=1S/C24H25NO/c1-26-24-11-5-9-21(16-24)22-12-13-23-18-25(14-6-10-20(23)15-22)17-19-7-3-2-4-8-19/h2-5,7-9,11-13,15-16H,6,10,14,17-18H2,1H3
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440n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
TBD


US Patent US10954217 (2021)

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


(Homo sapiens (Human))
BDBM488149
PNG
(US10954217, Example Table 3.A31)
Show SMILES Clc1cc(Cl)cc(CN2CCCc3ccc(cc3C2)N2CCOCC2)c1
Show InChI InChI=1S/C21H24Cl2N2O/c22-19-10-16(11-20(23)13-19)14-24-5-1-2-17-3-4-21(12-18(17)15-24)25-6-8-26-9-7-25/h3-4,10-13H,1-2,5-9,14-15H2
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443n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
TBD


US Patent US10954217 (2021)

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


(Homo sapiens (Human))
BDBM488152
PNG
(US10954217, Example Table 3.A34)
Show SMILES CN1CCN(CC1)c1ccc2CN(CCCc2c1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C23H29N3O2/c1-24-12-14-25(15-13-24)22-10-9-21-17-26(11-5-8-20(21)16-22)23(27)28-18-19-6-3-2-4-7-19/h2-4,6-7,9-10,16H,5,8,11-15,17-18H2,1H3
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528n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
TBD


US Patent US10954217 (2021)

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


(Homo sapiens (Human))
BDBM50370517
PNG
(CHEMBL4163428 | US10954217, Example 00227)
Show SMILES CN1CCN(CC1)c1ccc2CN(Cc2c1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C21H25N3O2/c1-22-9-11-23(12-10-22)20-8-7-18-14-24(15-19(18)13-20)21(25)26-16-17-5-3-2-4-6-17/h2-8,13H,9-12,14-16H2,1H3
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553n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
TBD


US Patent US10954217 (2021)

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


(Homo sapiens (Human))
BDBM488133
PNG
(US10954217, Example KTL-01-Table 3.A15)
Show SMILES CN1CCN(CC1)c1ccc2CN(CCc2c1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C22H27N3O2/c1-23-11-13-24(14-12-23)21-8-7-20-16-25(10-9-19(20)15-21)22(26)27-17-18-5-3-2-4-6-18/h2-8,15H,9-14,16-17H2,1H3
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614n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
TBD


US Patent US10954217 (2021)

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


(Homo sapiens (Human))
BDBM488145
PNG
(US10954217, Example Table 3.A27)
Show SMILES CN1CCN(CC1)c1cccc2CCN(Cc12)C(=O)OCc1ccccc1
Show InChI InChI=1S/C22H27N3O2/c1-23-12-14-24(15-13-23)21-9-5-8-19-10-11-25(16-20(19)21)22(26)27-17-18-6-3-2-4-7-18/h2-9H,10-17H2,1H3
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648n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
TBD


US Patent US10954217 (2021)

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


(Homo sapiens (Human))
BDBM488147
PNG
(US10954217, Example Table 3.A29)
Show SMILES CCOC(=O)CCN1CCN(CC1)c1cccc2CCN(Cc12)C(=O)OCc1ccccc1
Show InChI InChI=1S/C26H33N3O4/c1-2-32-25(30)12-13-27-15-17-28(18-16-27)24-10-6-9-22-11-14-29(19-23(22)24)26(31)33-20-21-7-4-3-5-8-21/h3-10H,2,11-20H2,1H3
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666n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
TBD


US Patent US10954217 (2021)

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


(Homo sapiens (Human))
BDBM488144
PNG
(US10954217, Example KTL-01-184)
Show SMILES Clc1cc(Cl)cc(CN2CCc3ccc(cc3C2)N2CCOCC2)c1
Show InChI InChI=1S/C20H22Cl2N2O/c21-18-9-15(10-19(22)12-18)13-23-4-3-16-1-2-20(11-17(16)14-23)24-5-7-25-8-6-24/h1-2,9-12H,3-8,13-14H2
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703n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
TBD


US Patent US10954217 (2021)

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


(Homo sapiens (Human))
BDBM488149
PNG
(US10954217, Example Table 3.A31)
Show SMILES Clc1cc(Cl)cc(CN2CCCc3ccc(cc3C2)N2CCOCC2)c1
Show InChI InChI=1S/C21H24Cl2N2O/c22-19-10-16(11-20(23)13-19)14-24-5-1-2-17-3-4-21(12-18(17)15-24)25-6-8-26-9-7-25/h3-4,10-13H,1-2,5-9,14-15H2
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1.89E+3n/an/an/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
TBD


US Patent US10954217 (2021)

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