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Patent code US9963453

Compile Data Set for Download or QSAR
Found 45 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/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM393445
PNG
(2-(azepan-1- yl)-1-(3,4- dihydro- pyrazino[1,2- a]...)
Show SMILES O=C(CN1CCCCCC1)N1CCn2c(C1)cc1ccccc21
Show InChI InChI=1S/C19H25N3O/c23-19(15-20-9-5-1-2-6-10-20)21-11-12-22-17(14-21)13-16-7-3-4-8-18(16)22/h3-4,7-8,13H,1-2,5-6,9-12,14-15H2
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10.2n/an/an/an/an/an/an/an/a



LABORATORIOS DEL DR. ESTEVE S.A.

US Patent


Assay Description
To investigate binding properties of sigma 1 receptor ligands to human sigma 1 receptor, transfected HEK-293 membranes and [3H](+)-pentazocine (Perki...


US Patent US9963453 (2018)

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


(Homo sapiens (Human))
BDBM393458
PNG
(3-(azepan-1- yl)-1-(3,4- dihydro- pyrazino[1,2- a]...)
Show SMILES O=C(CCN1CCCCCC1)N1CCn2c(C1)cc1ccccc21
Show InChI InChI=1S/C20H27N3O/c24-20(9-12-21-10-5-1-2-6-11-21)22-13-14-23-18(16-22)15-17-7-3-4-8-19(17)23/h3-4,7-8,15H,1-2,5-6,9-14,16H2
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10.9n/an/an/an/an/an/an/an/a



LABORATORIOS DEL DR. ESTEVE S.A.

US Patent


Assay Description
To investigate binding properties of sigma 1 receptor ligands to human sigma 1 receptor, transfected HEK-293 membranes and [3H](+)-pentazocine (Perki...


US Patent US9963453 (2018)

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


(Homo sapiens (Human))
BDBM393447
PNG
(2-(4-benzyl- piperidin- 1-yl)-1-(3,4- dihydro- pyr...)
Show SMILES O=C(CN1CCC(Cc2ccccc2)CC1)N1CCn2c(C1)cc1ccccc21
Show InChI InChI=1S/C25H29N3O/c29-25(19-26-12-10-21(11-13-26)16-20-6-2-1-3-7-20)27-14-15-28-23(18-27)17-22-8-4-5-9-24(22)28/h1-9,17,21H,10-16,18-19H2
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14.4n/an/an/an/an/an/an/an/a



LABORATORIOS DEL DR. ESTEVE S.A.

US Patent


Assay Description
To investigate binding properties of sigma 1 receptor ligands to human sigma 1 receptor, transfected HEK-293 membranes and [3H](+)-pentazocine (Perki...


US Patent US9963453 (2018)

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


(Homo sapiens (Human))
BDBM393453
PNG
(2-(azepan-1- yl)-1-(8- fluoro-3,4- dihydro- pyrazi...)
Show SMILES Fc1ccc2n3CCN(Cc3cc2c1)C(=O)CN1CCCCCC1
Show InChI InChI=1S/C19H24FN3O/c20-16-5-6-18-15(11-16)12-17-13-22(9-10-23(17)18)19(24)14-21-7-3-1-2-4-8-21/h5-6,11-12H,1-4,7-10,13-14H2
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14.6n/an/an/an/an/an/an/an/a



LABORATORIOS DEL DR. ESTEVE S.A.

US Patent


Assay Description
To investigate binding properties of sigma 1 receptor ligands to human sigma 1 receptor, transfected HEK-293 membranes and [3H](+)-pentazocine (Perki...


US Patent US9963453 (2018)

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


(Homo sapiens (Human))
BDBM393461
PNG
(4-(azepan-1- yl)-1-(8- fluoro-3,4- dihydro- pyrazi...)
Show SMILES Fc1ccc2n3CCN(Cc3cc2c1)C(=O)CCCN1CCCCCC1
Show InChI InChI=1S/C21H28FN3O/c22-18-7-8-20-17(14-18)15-19-16-24(12-13-25(19)20)21(26)6-5-11-23-9-3-1-2-4-10-23/h7-8,14-15H,1-6,9-13,16H2
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21.9n/an/an/an/an/an/an/an/a



LABORATORIOS DEL DR. ESTEVE S.A.

US Patent


Assay Description
To investigate binding properties of sigma 1 receptor ligands to human sigma 1 receptor, transfected HEK-293 membranes and [3H](+)-pentazocine (Perki...


US Patent US9963453 (2018)

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


(Homo sapiens (Human))
BDBM393457
PNG
(1-(8-fluoro- 3,4- dihydro- pyrazino[1,2- a]indol- ...)
Show SMILES Fc1ccc2n3CCN(Cc3cc2c1)C(=O)CCCN1CCCCC1
Show InChI InChI=1S/C20H26FN3O/c21-17-6-7-19-16(13-17)14-18-15-23(11-12-24(18)19)20(25)5-4-10-22-8-2-1-3-9-22/h6-7,13-14H,1-5,8-12,15H2
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22.2n/an/an/an/an/an/an/an/a



LABORATORIOS DEL DR. ESTEVE S.A.

US Patent


Assay Description
To investigate binding properties of sigma 1 receptor ligands to human sigma 1 receptor, transfected HEK-293 membranes and [3H](+)-pentazocine (Perki...


US Patent US9963453 (2018)

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


(Homo sapiens (Human))
BDBM393455
PNG
(1-(10-methyl- 3,4- dihydro- pyrazino[1,2- a]indol-...)
Show SMILES Cc1c2CN(CCn2c2ccccc12)C(=O)CN1CCCCC1
Show InChI InChI=1S/C19H25N3O/c1-15-16-7-3-4-8-17(16)22-12-11-21(13-18(15)22)19(23)14-20-9-5-2-6-10-20/h3-4,7-8H,2,5-6,9-14H2,1H3
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24n/an/an/an/an/an/an/an/a



LABORATORIOS DEL DR. ESTEVE S.A.

US Patent


Assay Description
To investigate binding properties of sigma 1 receptor ligands to human sigma 1 receptor, transfected HEK-293 membranes and [3H](+)-pentazocine (Perki...


US Patent US9963453 (2018)

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


(Homo sapiens (Human))
BDBM393448
PNG
(2-(azepan-1- yl)-1-(3,4- dihydro- pyrazino[1,2- a]...)
Show SMILES CC(N1CCCCCC1)C(=O)N1CCn2c(C1)cc1ccccc21
Show InChI InChI=1S/C20H27N3O/c1-16(21-10-6-2-3-7-11-21)20(24)22-12-13-23-18(15-22)14-17-8-4-5-9-19(17)23/h4-5,8-9,14,16H,2-3,6-7,10-13,15H2,1H3
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24.8n/an/an/an/an/an/an/an/a



LABORATORIOS DEL DR. ESTEVE S.A.

US Patent


Assay Description
To investigate binding properties of sigma 1 receptor ligands to human sigma 1 receptor, transfected HEK-293 membranes and [3H](+)-pentazocine (Perki...


US Patent US9963453 (2018)

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


(Homo sapiens (Human))
BDBM393451
PNG
(2-(4- benzyl- piperidin-1-yl)- 1-(3,4- dihydro- py...)
Show SMILES CC(N1CCC(Cc2ccccc2)CC1)C(=O)N1CCn2c(C1)cc1ccccc21
Show InChI InChI=1S/C26H31N3O/c1-20(27-13-11-22(12-14-27)17-21-7-3-2-4-8-21)26(30)28-15-16-29-24(19-28)18-23-9-5-6-10-25(23)29/h2-10,18,20,22H,11-17,19H2,1H3
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25n/an/an/an/an/an/an/an/a



LABORATORIOS DEL DR. ESTEVE S.A.

US Patent


Assay Description
To investigate binding properties of sigma 1 receptor ligands to human sigma 1 receptor, transfected HEK-293 membranes and [3H](+)-pentazocine (Perki...


US Patent US9963453 (2018)

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


(Homo sapiens (Human))
BDBM393466
PNG
(2-(4- cyclohexyl- piperazin-1- yl)- 1-(8-fluoro- 3...)
Show SMILES CC(N1CCN(CC1)C1CCCCC1)C(=O)N1CCn2c(C1)cc1cc(F)ccc21
Show InChI InChI=1S/C24H33FN4O/c1-18(26-9-11-27(12-10-26)21-5-3-2-4-6-21)24(30)28-13-14-29-22(17-28)16-19-15-20(25)7-8-23(19)29/h7-8,15-16,18,21H,2-6,9-14,17H2,1H3
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25.6n/an/an/an/an/an/an/an/a



LABORATORIOS DEL DR. ESTEVE S.A.

US Patent


Assay Description
To investigate binding properties of sigma 1 receptor ligands to human sigma 1 receptor, transfected HEK-293 membranes and [3H](+)-pentazocine (Perki...


US Patent US9963453 (2018)

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


(Homo sapiens (Human))
BDBM393456
PNG
(2-(4- benzyl- piperidin- 1-yl)-1- (10-methyl- 3,4-...)
Show SMILES Cc1c2CN(CCn2c2ccccc12)C(=O)CN1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C26H31N3O/c1-20-23-9-5-6-10-24(23)29-16-15-28(18-25(20)29)26(30)19-27-13-11-22(12-14-27)17-21-7-3-2-4-8-21/h2-10,22H,11-19H2,1H3
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26.2n/an/an/an/an/an/an/an/a



LABORATORIOS DEL DR. ESTEVE S.A.

US Patent


Assay Description
To investigate binding properties of sigma 1 receptor ligands to human sigma 1 receptor, transfected HEK-293 membranes and [3H](+)-pentazocine (Perki...


US Patent US9963453 (2018)

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


(Homo sapiens (Human))
BDBM393460
PNG
(1-(3,4- dihydro- pyrazino[1,2- a]indol- 2(1H)-yl)-...)
Show SMILES O=C(CCCN1CCCCC1)N1CCn2c(C1)cc1ccccc21
Show InChI InChI=1S/C20H27N3O/c24-20(9-6-12-21-10-4-1-5-11-21)22-13-14-23-18(16-22)15-17-7-2-3-8-19(17)23/h2-3,7-8,15H,1,4-6,9-14,16H2
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28.8n/an/an/an/an/an/an/an/a



LABORATORIOS DEL DR. ESTEVE S.A.

US Patent


Assay Description
To investigate binding properties of sigma 1 receptor ligands to human sigma 1 receptor, transfected HEK-293 membranes and [3H](+)-pentazocine (Perki...


US Patent US9963453 (2018)

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


(Homo sapiens (Human))
BDBM393448
PNG
(2-(azepan-1- yl)-1-(3,4- dihydro- pyrazino[1,2- a]...)
Show SMILES CC(N1CCCCCC1)C(=O)N1CCn2c(C1)cc1ccccc21
Show InChI InChI=1S/C20H27N3O/c1-16(21-10-6-2-3-7-11-21)20(24)22-12-13-23-18(15-22)14-17-8-4-5-9-19(17)23/h4-5,8-9,14,16H,2-3,6-7,10-13,15H2,1H3
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29.6n/an/an/an/an/an/an/an/a



LABORATORIOS DEL DR. ESTEVE S.A.

US Patent


Assay Description
To investigate binding properties of sigma 1 receptor ligands to human sigma 1 receptor, transfected HEK-293 membranes and [3H](+)-pentazocine (Perki...


US Patent US9963453 (2018)

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


(Homo sapiens (Human))
BDBM393463
PNG
(2-(4- cyclohexyl- piperazin-1- yl)- 1-(3,4- dihydr...)
Show SMILES CC(N1CCN(CC1)C1CCCCC1)C(=O)N1CCn2c(C1)cc1ccccc21
Show InChI InChI=1S/C24H34N4O/c1-19(25-11-13-26(14-12-25)21-8-3-2-4-9-21)24(29)27-15-16-28-22(18-27)17-20-7-5-6-10-23(20)28/h5-7,10,17,19,21H,2-4,8-9,11-16,18H2,1H3
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37.6n/an/an/an/an/an/an/an/a



LABORATORIOS DEL DR. ESTEVE S.A.

US Patent


Assay Description
To investigate binding properties of sigma 1 receptor ligands to human sigma 1 receptor, transfected HEK-293 membranes and [3H](+)-pentazocine (Perki...


US Patent US9963453 (2018)

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


(Homo sapiens (Human))
BDBM393446
PNG
(1-(3,4- dihydro- pyrazino[1,2- a]indol- 2(1H)-yl)-...)
Show SMILES O=C(CN1CCCCC1)N1CCn2c(C1)cc1ccccc21
Show InChI InChI=1S/C18H23N3O/c22-18(14-19-8-4-1-5-9-19)20-10-11-21-16(13-20)12-15-6-2-3-7-17(15)21/h2-3,6-7,12H,1,4-5,8-11,13-14H2
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39.8n/an/an/an/an/an/an/an/a



LABORATORIOS DEL DR. ESTEVE S.A.

US Patent


Assay Description
To investigate binding properties of sigma 1 receptor ligands to human sigma 1 receptor, transfected HEK-293 membranes and [3H](+)-pentazocine (Perki...


US Patent US9963453 (2018)

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


(Homo sapiens (Human))
BDBM393479
PNG
((R)-1-(3,4- dihydro- pyrazino[1,2- a]indol- 2(1H)-...)
Show SMILES C[C@H](CN1CCN(C)CC1)C(=O)N1CCn2c(C1)cc1ccccc21
Show InChI InChI=1S/C20H28N4O/c1-16(14-22-9-7-21(2)8-10-22)20(25)23-11-12-24-18(15-23)13-17-5-3-4-6-19(17)24/h3-6,13,16H,7-12,14-15H2,1-2H3/t16-/m1/s1
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49.5n/an/an/an/an/an/an/an/a



LABORATORIOS DEL DR. ESTEVE S.A.

US Patent


Assay Description
To investigate binding properties of sigma 1 receptor ligands to human sigma 1 receptor, transfected HEK-293 membranes and [3H](+)-pentazocine (Perki...


US Patent US9963453 (2018)

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


(Homo sapiens (Human))
BDBM393459
PNG
((S)-1-(3,4- dihydro- pyrazino[1,2- a]indol- 2(1H)-...)
Show SMILES C[C@H](N1CCN(C)CC1)C(=O)N1CCn2c(C1)cc1ccccc21
Show InChI InChI=1S/C19H26N4O/c1-15(21-9-7-20(2)8-10-21)19(24)22-11-12-23-17(14-22)13-16-5-3-4-6-18(16)23/h3-6,13,15H,7-12,14H2,1-2H3/t15-/m0/s1
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55.9n/an/an/an/an/an/an/an/a



LABORATORIOS DEL DR. ESTEVE S.A.

US Patent


Assay Description
To investigate binding properties of sigma 1 receptor ligands to human sigma 1 receptor, transfected HEK-293 membranes and [3H](+)-pentazocine (Perki...


US Patent US9963453 (2018)

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


(Homo sapiens (Human))
BDBM393471
PNG
((S)-2-(4- methyl- piperazin-1- yl)-1- 3,4,10,10a- ...)
Show SMILES C[C@H](N1CCN(C)CC1)C(=O)N1CCN2[C@@H](Cc3ccccc23)C1
Show InChI InChI=1S/C19H28N4O/c1-15(21-9-7-20(2)8-10-21)19(24)22-11-12-23-17(14-22)13-16-5-3-4-6-18(16)23/h3-6,15,17H,7-14H2,1-2H3/t15-,17-/m0/s1
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56.5n/an/an/an/an/an/an/an/a



LABORATORIOS DEL DR. ESTEVE S.A.

US Patent


Assay Description
To investigate binding properties of sigma 1 receptor ligands to human sigma 1 receptor, transfected HEK-293 membranes and [3H](+)-pentazocine (Perki...


US Patent US9963453 (2018)

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


(Homo sapiens (Human))
BDBM393483
PNG
((R)-2-(4- cyclohexyl- piperazin-1- yl)-1-((S)- 3,4...)
Show SMILES C[C@@H](N1CCN(CC1)C1CCCCC1)C(=O)N1CCN2[C@@H](Cc3ccccc23)C1
Show InChI InChI=1S/C24H36N4O/c1-19(25-11-13-26(14-12-25)21-8-3-2-4-9-21)24(29)27-15-16-28-22(18-27)17-20-7-5-6-10-23(20)28/h5-7,10,19,21-22H,2-4,8-9,11-18H2,1H3/t19-,22+/m1/s1
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59.9n/an/an/an/an/an/an/an/a



LABORATORIOS DEL DR. ESTEVE S.A.

US Patent


Assay Description
To investigate binding properties of sigma 1 receptor ligands to human sigma 1 receptor, transfected HEK-293 membranes and [3H](+)-pentazocine (Perki...


US Patent US9963453 (2018)

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


(Homo sapiens (Human))
BDBM393452
PNG
(1-(3,4- dihydro- pyrazino[1,2- a]indol- 2(1H)-yl)-...)
Show SMILES CN(C)CCCC(=O)N1CCn2c(C1)cc1ccccc21
Show InChI InChI=1S/C17H23N3O/c1-18(2)9-5-8-17(21)19-10-11-20-15(13-19)12-14-6-3-4-7-16(14)20/h3-4,6-7,12H,5,8-11,13H2,1-2H3
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60.8n/an/an/an/an/an/an/an/a



LABORATORIOS DEL DR. ESTEVE S.A.

US Patent


Assay Description
To investigate binding properties of sigma 1 receptor ligands to human sigma 1 receptor, transfected HEK-293 membranes and [3H](+)-pentazocine (Perki...


US Patent US9963453 (2018)

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


(Homo sapiens (Human))
BDBM393444
PNG
(1-(3,4- dihydro- pyrazino[1,2- a]indol- 2(1H)-yl)-...)
Show SMILES CC(CC(=O)N1CCn2c(C1)cc1ccccc21)N1CCN(C)CC1
Show InChI InChI=1S/C20H28N4O/c1-16(22-9-7-21(2)8-10-22)13-20(25)23-11-12-24-18(15-23)14-17-5-3-4-6-19(17)24/h3-6,14,16H,7-13,15H2,1-2H3
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68.2n/an/an/an/an/an/an/an/a



LABORATORIOS DEL DR. ESTEVE S.A.

US Patent


Assay Description
To investigate binding properties of sigma 1 receptor ligands to human sigma 1 receptor, transfected HEK-293 membranes and [3H](+)-pentazocine (Perki...


US Patent US9963453 (2018)

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


(Homo sapiens (Human))
BDBM393454
PNG
(2-(azepan-1- yl)-1-(8- methyl-3,4- dihydro- pyrazi...)
Show SMILES CC(N1CCCCCC1)C(=O)N1CCn2c(C1)cc1cc(C)ccc21
Show InChI InChI=1S/C21H29N3O/c1-16-7-8-20-18(13-16)14-19-15-23(11-12-24(19)20)21(25)17(2)22-9-5-3-4-6-10-22/h7-8,13-14,17H,3-6,9-12,15H2,1-2H3
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69.7n/an/an/an/an/an/an/an/a



LABORATORIOS DEL DR. ESTEVE S.A.

US Patent


Assay Description
To investigate binding properties of sigma 1 receptor ligands to human sigma 1 receptor, transfected HEK-293 membranes and [3H](+)-pentazocine (Perki...


US Patent US9963453 (2018)

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


(Homo sapiens (Human))
BDBM393486
PNG
((R)-2-(4- cyclohexyl- piperazin-1- yl)-1-((R)- 3,4...)
Show SMILES C[C@@H](N1CCN(CC1)C1CCCCC1)C(=O)N1CCN2[C@H](Cc3ccccc23)C1
Show InChI InChI=1S/C24H36N4O/c1-19(25-11-13-26(14-12-25)21-8-3-2-4-9-21)24(29)27-15-16-28-22(18-27)17-20-7-5-6-10-23(20)28/h5-7,10,19,21-22H,2-4,8-9,11-18H2,1H3/t19-,22-/m1/s1
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71.6n/an/an/an/an/an/an/an/a



LABORATORIOS DEL DR. ESTEVE S.A.

US Patent


Assay Description
To investigate binding properties of sigma 1 receptor ligands to human sigma 1 receptor, transfected HEK-293 membranes and [3H](+)-pentazocine (Perki...


US Patent US9963453 (2018)

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


(Homo sapiens (Human))
BDBM393475
PNG
(1-(3,4- dihydro- pyrazino[1,2- a]indol- 2(1H)-yl)-...)
Show SMILES CC(CN1CCN(C)CC1)C(=O)N1CCn2c(C1)cc1ccccc21
Show InChI InChI=1S/C20H28N4O/c1-16(14-22-9-7-21(2)8-10-22)20(25)23-11-12-24-18(15-23)13-17-5-3-4-6-19(17)24/h3-6,13,16H,7-12,14-15H2,1-2H3
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73n/an/an/an/an/an/an/an/a



LABORATORIOS DEL DR. ESTEVE S.A.

US Patent


Assay Description
To investigate binding properties of sigma 1 receptor ligands to human sigma 1 receptor, transfected HEK-293 membranes and [3H](+)-pentazocine (Perki...


US Patent US9963453 (2018)

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


(Homo sapiens (Human))
BDBM393478
PNG
((S)-1-(3,4- dihydro- pyrazino[1,2- a]indol- 2(1H)-...)
Show SMILES CC[C@H](N1CCN(C)CC1)C(=O)N1CCn2c(C1)cc1ccccc21
Show InChI InChI=1S/C20H28N4O/c1-3-18(22-10-8-21(2)9-11-22)20(25)23-12-13-24-17(15-23)14-16-6-4-5-7-19(16)24/h4-7,14,18H,3,8-13,15H2,1-2H3/t18-/m0/s1
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75.5n/an/an/an/an/an/an/an/a



LABORATORIOS DEL DR. ESTEVE S.A.

US Patent


Assay Description
To investigate binding properties of sigma 1 receptor ligands to human sigma 1 receptor, transfected HEK-293 membranes and [3H](+)-pentazocine (Perki...


US Patent US9963453 (2018)

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


(Homo sapiens (Human))
BDBM393470
PNG
((S)-2-(4- methyl- piperazin-1- yl)-1-((R)- 3,4,10,...)
Show SMILES C[C@H](N1CCN(C)CC1)C(=O)N1CCN2[C@H](Cc3ccccc23)C1
Show InChI InChI=1S/C19H28N4O/c1-15(21-9-7-20(2)8-10-21)19(24)22-11-12-23-17(14-22)13-16-5-3-4-6-18(16)23/h3-6,15,17H,7-14H2,1-2H3/t15-,17+/m0/s1
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84.3n/an/an/an/an/an/an/an/a



LABORATORIOS DEL DR. ESTEVE S.A.

US Patent


Assay Description
To investigate binding properties of sigma 1 receptor ligands to human sigma 1 receptor, transfected HEK-293 membranes and [3H](+)-pentazocine (Perki...


US Patent US9963453 (2018)

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


(Homo sapiens (Human))
BDBM393473
PNG
(1-(3,4- dihydro- pyrazino[1,2- a]indol- 2(1H)-yl)-...)
Show SMILES CCC(N1CCN(C)CC1)C(=O)N1CCn2c(C1)cc1ccccc21
Show InChI InChI=1S/C20H28N4O/c1-3-18(22-10-8-21(2)9-11-22)20(25)23-12-13-24-17(15-23)14-16-6-4-5-7-19(16)24/h4-7,14,18H,3,8-13,15H2,1-2H3
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89.3n/an/an/an/an/an/an/an/a



LABORATORIOS DEL DR. ESTEVE S.A.

US Patent


Assay Description
To investigate binding properties of sigma 1 receptor ligands to human sigma 1 receptor, transfected HEK-293 membranes and [3H](+)-pentazocine (Perki...


US Patent US9963453 (2018)

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


(Homo sapiens (Human))
BDBM393481
PNG
((S)-1-(3,4- dihydro- pyrazino[1,2- a]indol- 2(1H)-...)
Show SMILES C[C@@H](CC(=O)N1CCn2c(C1)cc1ccccc21)N1CCN(C)CC1
Show InChI InChI=1S/C20H28N4O/c1-16(22-9-7-21(2)8-10-22)13-20(25)23-11-12-24-18(15-23)14-17-5-3-4-6-19(17)24/h3-6,14,16H,7-13,15H2,1-2H3/t16-/m0/s1
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91.7n/an/an/an/an/an/an/an/a



LABORATORIOS DEL DR. ESTEVE S.A.

US Patent


Assay Description
To investigate binding properties of sigma 1 receptor ligands to human sigma 1 receptor, transfected HEK-293 membranes and [3H](+)-pentazocine (Perki...


US Patent US9963453 (2018)

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


(Homo sapiens (Human))
BDBM393485
PNG
((S)-2-(4- cyclohexyl- piperazin-1- yl)-1-((S)- 3,4...)
Show SMILES C[C@H](N1CCN(CC1)C1CCCCC1)C(=O)N1CCN2[C@@H](Cc3ccccc23)C1
Show InChI InChI=1S/C24H36N4O/c1-19(25-11-13-26(14-12-25)21-8-3-2-4-9-21)24(29)27-15-16-28-22(18-27)17-20-7-5-6-10-23(20)28/h5-7,10,19,21-22H,2-4,8-9,11-18H2,1H3/t19-,22-/m0/s1
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94.7n/an/an/an/an/an/an/an/a



LABORATORIOS DEL DR. ESTEVE S.A.

US Patent


Assay Description
To investigate binding properties of sigma 1 receptor ligands to human sigma 1 receptor, transfected HEK-293 membranes and [3H](+)-pentazocine (Perki...


US Patent US9963453 (2018)

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


(Homo sapiens (Human))
BDBM393443
PNG
(1-(3,4- dihydro- pyrazino[1,2- a]indol- 2(1H)-yl)-...)
Show SMILES CN1CCN(CC1)C(C)(C)C(=O)N1CCn2c(C1)cc1ccccc21
Show InChI InChI=1S/C20H28N4O/c1-20(2,23-11-8-21(3)9-12-23)19(25)22-10-13-24-17(15-22)14-16-6-4-5-7-18(16)24/h4-7,14H,8-13,15H2,1-3H3
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96.1n/an/an/an/an/an/an/an/a



LABORATORIOS DEL DR. ESTEVE S.A.

US Patent


Assay Description
To investigate binding properties of sigma 1 receptor ligands to human sigma 1 receptor, transfected HEK-293 membranes and [3H](+)-pentazocine (Perki...


US Patent US9963453 (2018)

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


(Homo sapiens (Human))
BDBM393442
PNG
(1-(3,4- dihydro- pyrazino[1,2- a]indol- 2(1H)-yl)-...)
Show SMILES CC(N1CCN(C)CC1)C(=O)N1CCn2c(C1)cc1ccccc21
Show InChI InChI=1S/C19H26N4O/c1-15(21-9-7-20(2)8-10-21)19(24)22-11-12-23-17(14-22)13-16-5-3-4-6-18(16)23/h3-6,13,15H,7-12,14H2,1-2H3
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105n/an/an/an/an/an/an/an/a



LABORATORIOS DEL DR. ESTEVE S.A.

US Patent


Assay Description
To investigate binding properties of sigma 1 receptor ligands to human sigma 1 receptor, transfected HEK-293 membranes and [3H](+)-pentazocine (Perki...


US Patent US9963453 (2018)

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


(Homo sapiens (Human))
BDBM393442
PNG
(1-(3,4- dihydro- pyrazino[1,2- a]indol- 2(1H)-yl)-...)
Show SMILES CC(N1CCN(C)CC1)C(=O)N1CCn2c(C1)cc1ccccc21
Show InChI InChI=1S/C19H26N4O/c1-15(21-9-7-20(2)8-10-21)19(24)22-11-12-23-17(14-22)13-16-5-3-4-6-18(16)23/h3-6,13,15H,7-12,14H2,1-2H3
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118n/an/an/an/an/an/an/an/a



LABORATORIOS DEL DR. ESTEVE S.A.

US Patent


Assay Description
To investigate binding properties of sigma 1 receptor ligands to human sigma 1 receptor, transfected HEK-293 membranes and [3H](+)-pentazocine (Perki...


US Patent US9963453 (2018)

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


(Homo sapiens (Human))
BDBM393465
PNG
(1-(8-fluoro- 3,4- dihydro- pyrazino[1,2- a]indol- ...)
Show SMILES CC(N1CCN(C)CC1)C(=O)N1CCn2c(C1)cc1cc(F)ccc21
Show InChI InChI=1S/C19H25FN4O/c1-14(22-7-5-21(2)6-8-22)19(25)23-9-10-24-17(13-23)12-15-11-16(20)3-4-18(15)24/h3-4,11-12,14H,5-10,13H2,1-2H3
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123n/an/an/an/an/an/an/an/a



LABORATORIOS DEL DR. ESTEVE S.A.

US Patent


Assay Description
To investigate binding properties of sigma 1 receptor ligands to human sigma 1 receptor, transfected HEK-293 membranes and [3H](+)-pentazocine (Perki...


US Patent US9963453 (2018)

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


(Homo sapiens (Human))
BDBM393467
PNG
(2-(4- ethylpiperazin- 1-yl)-1-(8- fluoro-3,4- dihy...)
Show SMILES CCN1CCN(CC1)C(C)C(=O)N1CCn2c(C1)cc1cc(F)ccc21
Show InChI InChI=1S/C20H27FN4O/c1-3-22-6-8-23(9-7-22)15(2)20(26)24-10-11-25-18(14-24)13-16-12-17(21)4-5-19(16)25/h4-5,12-13,15H,3,6-11,14H2,1-2H3
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125n/an/an/an/an/an/an/an/a



LABORATORIOS DEL DR. ESTEVE S.A.

US Patent


Assay Description
To investigate binding properties of sigma 1 receptor ligands to human sigma 1 receptor, transfected HEK-293 membranes and [3H](+)-pentazocine (Perki...


US Patent US9963453 (2018)

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


(Homo sapiens (Human))
BDBM393450
PNG
(1-(3,4- dihydro- pyrazino[1,2- a]indol- 2(1H)-yl)-...)
Show SMILES CC(N1CCCCC1)C(=O)N1CCn2c(C1)cc1ccccc21
Show InChI InChI=1S/C19H25N3O/c1-15(20-9-5-2-6-10-20)19(23)21-11-12-22-17(14-21)13-16-7-3-4-8-18(16)22/h3-4,7-8,13,15H,2,5-6,9-12,14H2,1H3
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129n/an/an/an/an/an/an/an/a



LABORATORIOS DEL DR. ESTEVE S.A.

US Patent


Assay Description
To investigate binding properties of sigma 1 receptor ligands to human sigma 1 receptor, transfected HEK-293 membranes and [3H](+)-pentazocine (Perki...


US Patent US9963453 (2018)

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


(Homo sapiens (Human))
BDBM393484
PNG
((S)-2-(4- cyclohexyl- piperazin-1- yl)-1-((R)- 3,4...)
Show SMILES C[C@H](N1CCN(CC1)C1CCCCC1)C(=O)N1CCN2[C@H](Cc3ccccc23)C1
Show InChI InChI=1S/C24H36N4O/c1-19(25-11-13-26(14-12-25)21-8-3-2-4-9-21)24(29)27-15-16-28-22(18-27)17-20-7-5-6-10-23(20)28/h5-7,10,19,21-22H,2-4,8-9,11-18H2,1H3/t19-,22+/m0/s1
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142n/an/an/an/an/an/an/an/a



LABORATORIOS DEL DR. ESTEVE S.A.

US Patent


Assay Description
To investigate binding properties of sigma 1 receptor ligands to human sigma 1 receptor, transfected HEK-293 membranes and [3H](+)-pentazocine (Perki...


US Patent US9963453 (2018)

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


(Homo sapiens (Human))
BDBM393480
PNG
((S)-1-(3,4- dihydro- pyrazino[1,2- a]indol- 2(1H)-...)
Show SMILES C[C@@H](CN1CCN(C)CC1)C(=O)N1CCn2c(C1)cc1ccccc21
Show InChI InChI=1S/C20H28N4O/c1-16(14-22-9-7-21(2)8-10-22)20(25)23-11-12-24-18(15-23)13-17-5-3-4-6-19(17)24/h3-6,13,16H,7-12,14-15H2,1-2H3/t16-/m0/s1
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142n/an/an/an/an/an/an/an/a



LABORATORIOS DEL DR. ESTEVE S.A.

US Patent


Assay Description
To investigate binding properties of sigma 1 receptor ligands to human sigma 1 receptor, transfected HEK-293 membranes and [3H](+)-pentazocine (Perki...


US Patent US9963453 (2018)

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


(Homo sapiens (Human))
BDBM393476
PNG
(4-(dimethyl- amino)-1- (3,4,10,10a- tetrahydro- py...)
Show SMILES CN(C)CCCC(=O)N1CCN2C(Cc3ccccc23)C1
Show InChI InChI=1S/C17H25N3O/c1-18(2)9-5-8-17(21)19-10-11-20-15(13-19)12-14-6-3-4-7-16(14)20/h3-4,6-7,15H,5,8-13H2,1-2H3
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151n/an/an/an/an/an/an/an/a



LABORATORIOS DEL DR. ESTEVE S.A.

US Patent


Assay Description
To investigate binding properties of sigma 1 receptor ligands to human sigma 1 receptor, transfected HEK-293 membranes and [3H](+)-pentazocine (Perki...


US Patent US9963453 (2018)

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


(Homo sapiens (Human))
BDBM393477
PNG
(2-methyl-2- (4-methyl- piperazin-1- yl)-1- (3,4,10...)
Show SMILES CN1CCN(CC1)C(C)(C)C(=O)N1CCN2C(Cc3ccccc23)C1
Show InChI InChI=1S/C20H30N4O/c1-20(2,23-11-8-21(3)9-12-23)19(25)22-10-13-24-17(15-22)14-16-6-4-5-7-18(16)24/h4-7,17H,8-15H2,1-3H3
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175n/an/an/an/an/an/an/an/a



LABORATORIOS DEL DR. ESTEVE S.A.

US Patent


Assay Description
To investigate binding properties of sigma 1 receptor ligands to human sigma 1 receptor, transfected HEK-293 membranes and [3H](+)-pentazocine (Perki...


US Patent US9963453 (2018)

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


(Homo sapiens (Human))
BDBM393469
PNG
((R)-2-(4- methyl- piperazin-1- yl)-1-((S)- 3,4,10,...)
Show SMILES C[C@@H](N1CCN(C)CC1)C(=O)N1CCN2[C@@H](Cc3ccccc23)C1
Show InChI InChI=1S/C19H28N4O/c1-15(21-9-7-20(2)8-10-21)19(24)22-11-12-23-17(14-22)13-16-5-3-4-6-18(16)23/h3-6,15,17H,7-14H2,1-2H3/t15-,17+/m1/s1
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234n/an/an/an/an/an/an/an/a



LABORATORIOS DEL DR. ESTEVE S.A.

US Patent


Assay Description
To investigate binding properties of sigma 1 receptor ligands to human sigma 1 receptor, transfected HEK-293 membranes and [3H](+)-pentazocine (Perki...


US Patent US9963453 (2018)

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


(Homo sapiens (Human))
BDBM393468
PNG
(2-(2- (diethylamino) ethylamino)- 1-(3,4- dihydro-...)
Show SMILES CCN(CC)CCNC(C)C(=O)N1CCn2c(C1)cc1ccccc21
Show InChI InChI=1S/C20H30N4O/c1-4-22(5-2)11-10-21-16(3)20(25)23-12-13-24-18(15-23)14-17-8-6-7-9-19(17)24/h6-9,14,16,21H,4-5,10-13,15H2,1-3H3
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241n/an/an/an/an/an/an/an/a



LABORATORIOS DEL DR. ESTEVE S.A.

US Patent


Assay Description
To investigate binding properties of sigma 1 receptor ligands to human sigma 1 receptor, transfected HEK-293 membranes and [3H](+)-pentazocine (Perki...


US Patent US9963453 (2018)

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


(Homo sapiens (Human))
BDBM393482
PNG
((R)-1-(3,4- dihydro- pyrazino[1,2- a]indol- 2(1H)-...)
Show SMILES C[C@H](CC(=O)N1CCn2c(C1)cc1ccccc21)N1CCN(C)CC1
Show InChI InChI=1S/C20H28N4O/c1-16(22-9-7-21(2)8-10-22)13-20(25)23-11-12-24-18(15-23)14-17-5-3-4-6-19(17)24/h3-6,14,16H,7-13,15H2,1-2H3/t16-/m1/s1
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251n/an/an/an/an/an/an/an/a



LABORATORIOS DEL DR. ESTEVE S.A.

US Patent


Assay Description
To investigate binding properties of sigma 1 receptor ligands to human sigma 1 receptor, transfected HEK-293 membranes and [3H](+)-pentazocine (Perki...


US Patent US9963453 (2018)

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


(Homo sapiens (Human))
BDBM393462
PNG
(1-(3,4- dihydro- pyrazino[1,2- a]indol- 2(1H)-yl)-...)
Show SMILES CN1CCN(CCCC(=O)N2CCn3c(C2)cc2ccccc32)CC1
Show InChI InChI=1S/C20H28N4O/c1-21-9-11-22(12-10-21)8-4-7-20(25)23-13-14-24-18(16-23)15-17-5-2-3-6-19(17)24/h2-3,5-6,15H,4,7-14,16H2,1H3
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292n/an/an/an/an/an/an/an/a



LABORATORIOS DEL DR. ESTEVE S.A.

US Patent


Assay Description
To investigate binding properties of sigma 1 receptor ligands to human sigma 1 receptor, transfected HEK-293 membranes and [3H](+)-pentazocine (Perki...


US Patent US9963453 (2018)

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


(Homo sapiens (Human))
BDBM393474
PNG
(1-(3,4- dihydro- pyrazino[1,2- a]indol- 2(1H)-yl)-...)
Show SMILES CCC(N(C)CCN(C)C)C(=O)N1CCn2c(C1)cc1ccccc21
Show InChI InChI=1S/C20H30N4O/c1-5-18(22(4)11-10-21(2)3)20(25)23-12-13-24-17(15-23)14-16-8-6-7-9-19(16)24/h6-9,14,18H,5,10-13,15H2,1-4H3
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427n/an/an/an/an/an/an/an/a



LABORATORIOS DEL DR. ESTEVE S.A.

US Patent


Assay Description
To investigate binding properties of sigma 1 receptor ligands to human sigma 1 receptor, transfected HEK-293 membranes and [3H](+)-pentazocine (Perki...


US Patent US9963453 (2018)

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


(Homo sapiens (Human))
BDBM393472
PNG
(2-(1,4'- bipiperidin-1'- yl)-1-(3,4- dihydro- pyra...)
Show SMILES CC(N1CCC(CC1)N1CCCCC1)C(=O)N1CCn2c(C1)cc1ccccc21
Show InChI InChI=1S/C24H34N4O/c1-19(25-13-9-21(10-14-25)26-11-5-2-6-12-26)24(29)27-15-16-28-22(18-27)17-20-7-3-4-8-23(20)28/h3-4,7-8,17,19,21H,2,5-6,9-16,18H2,1H3
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PC sid
UniChem
US Patent
500n/an/an/an/an/an/an/an/a



LABORATORIOS DEL DR. ESTEVE S.A.

US Patent


Assay Description
To investigate binding properties of sigma 1 receptor ligands to human sigma 1 receptor, transfected HEK-293 membranes and [3H](+)-pentazocine (Perki...


US Patent US9963453 (2018)

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