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Patent code US9567338

Compile Data Set for Download or QSAR
Found 61 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-1 receptor


(Cavia porcellus (Guinea pig))
BDBM287137
PNG
(1-(1-(2-(azepan- 1-yl)ethyl)-1H- pyrazolo[3,4- d]p...)
Show SMILES CCCNC(=S)Nc1ncnc2n(CCN3CCCCCC3)ncc12
Show InChI InChI=1S/C17H27N7S/c1-2-7-18-17(25)22-15-14-12-21-24(16(14)20-13-19-15)11-10-23-8-5-3-4-6-9-23/h12-13H,2-11H2,1H3,(H2,18,19,20,22,25)
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6.70n/an/an/an/an/an/an/an/a



LABORATORIOS DEL DR. ESTEVE S.A.

US Patent


Assay Description
Brain membrane preparation and binding assays for the σ1-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y...


US Patent US9567338 (2017)

More data for this
Ligand-Target Pair
Sigma-1 receptor


(Cavia porcellus (Guinea pig))
BDBM287138
PNG
(1-(1-(2-(azepan- 1-yl)ethyl)-1H- pyrazolo[3,4- d]p...)
Show SMILES CCNC(=S)Nc1ncnc2n(CCN3CCCCCC3)ncc12
Show InChI InChI=1S/C16H25N7S/c1-2-17-16(24)21-14-13-11-20-23(15(13)19-12-18-14)10-9-22-7-5-3-4-6-8-22/h11-12H,2-10H2,1H3,(H2,17,18,19,21,24)
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9.20n/an/an/an/an/an/an/an/a



LABORATORIOS DEL DR. ESTEVE S.A.

US Patent


Assay Description
Brain membrane preparation and binding assays for the σ1-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y...


US Patent US9567338 (2017)

More data for this
Ligand-Target Pair
Sigma-1 receptor


(Cavia porcellus (Guinea pig))
BDBM287087
PNG
(N-(1-(2-(azepan-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyri...)
Show SMILES CC(C)(C)C(=O)Nc1ncnc2n(CCN3CCCCCC3)ncc12
Show InChI InChI=1S/C18H28N6O/c1-18(2,3)17(25)22-15-14-12-21-24(16(14)20-13-19-15)11-10-23-8-6-4-5-7-9-23/h12-13H,4-11H2,1-3H3,(H,19,20,22,25)
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9.20n/an/an/an/an/an/an/an/a



LABORATORIOS DEL DR. ESTEVE S.A.

US Patent


Assay Description
Brain membrane preparation and binding assays for the σ1-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y...


US Patent US9567338 (2017)

More data for this
Ligand-Target Pair
Sigma-1 receptor


(Cavia porcellus (Guinea pig))
BDBM287101
PNG
(N-(1-(2-(Azepan-1- yl)ethyl)-1H-pyrazolo[3,4- d]py...)
Show SMILES O=C(Nc1ncnc2n(CCN3CCCCCC3)ncc12)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C24H34N6O/c31-23(24-12-17-9-18(13-24)11-19(10-17)14-24)28-21-20-15-27-30(22(20)26-16-25-21)8-7-29-5-3-1-2-4-6-29/h15-19H,1-14H2,(H,25,26,28,31)
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9.40n/an/an/an/an/an/an/an/a



LABORATORIOS DEL DR. ESTEVE S.A.

US Patent


Assay Description
Brain membrane preparation and binding assays for the σ1-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y...


US Patent US9567338 (2017)

More data for this
Ligand-Target Pair
Sigma-1 receptor


(Cavia porcellus (Guinea pig))
BDBM287111
PNG
(N-(1-(2-(azepan-1- yl)ethyl)-1H-pyrazolo[3,4- d]py...)
Show SMILES CC1(C)C(C(=O)Nc2ncnc3n(CCN4CCCCCC4)ncc23)C1(C)C
Show InChI InChI=1S/C21H32N6O/c1-20(2)16(21(20,3)4)19(28)25-17-15-13-24-27(18(15)23-14-22-17)12-11-26-9-7-5-6-8-10-26/h13-14,16H,5-12H2,1-4H3,(H,22,23,25,28)
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11.1n/an/an/an/an/an/an/an/a



LABORATORIOS DEL DR. ESTEVE S.A.

US Patent


Assay Description
Brain membrane preparation and binding assays for the σ1-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y...


US Patent US9567338 (2017)

More data for this
Ligand-Target Pair
Sigma-1 receptor


(Cavia porcellus (Guinea pig))
BDBM287140
PNG
(N-(1-(2-(4-tert- butylpiperidin-1-yl)ethyl)- 1H-py...)
Show SMILES CC(C)(C)C1CCN(CCn2ncc3c(NC(=O)C(C)(C)C)ncnc23)CC1
Show InChI InChI=1S/C21H34N6O/c1-20(2,3)15-7-9-26(10-8-15)11-12-27-18-16(13-24-27)17(22-14-23-18)25-19(28)21(4,5)6/h13-15H,7-12H2,1-6H3,(H,22,23,25,28)
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12.2n/an/an/an/an/an/an/an/a



LABORATORIOS DEL DR. ESTEVE S.A.

US Patent


Assay Description
Brain membrane preparation and binding assays for the σ1-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y...


US Patent US9567338 (2017)

More data for this
Ligand-Target Pair
Sigma-1 receptor


(Cavia porcellus (Guinea pig))
BDBM287088
PNG
(N-(1-[2-(Piperidin-1- yl)ethyl]-1H-pyrazolo[3,4- d...)
Show SMILES O=C(Nc1ncnc2n(CCN3CCCCC3)ncc12)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C23H32N6O/c30-22(23-11-16-8-17(12-23)10-18(9-16)13-23)27-20-19-14-26-29(21(19)25-15-24-20)7-6-28-4-2-1-3-5-28/h14-18H,1-13H2,(H,24,25,27,30)
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12.7n/an/an/an/an/an/an/an/a



LABORATORIOS DEL DR. ESTEVE S.A.

US Patent


Assay Description
Brain membrane preparation and binding assays for the σ1-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y...


US Patent US9567338 (2017)

More data for this
Ligand-Target Pair
Sigma-1 receptor


(Cavia porcellus (Guinea pig))
BDBM287135
PNG
(Synthesis of 1-(1-(2-(azepan-1-yl)ethyl)-1H-pyrazo...)
Show SMILES CCCCNC(=S)Nc1ncnc2n(CCN3CCCCCC3)ncc12
Show InChI InChI=1S/C18H29N7S/c1-2-3-8-19-18(26)23-16-15-13-22-25(17(15)21-14-20-16)12-11-24-9-6-4-5-7-10-24/h13-14H,2-12H2,1H3,(H2,19,20,21,23,26)
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12.8n/an/an/an/an/an/an/an/a



LABORATORIOS DEL DR. ESTEVE S.A.

US Patent


Assay Description
Brain membrane preparation and binding assays for the σ1-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y...


US Patent US9567338 (2017)

More data for this
Ligand-Target Pair
Sigma-1 receptor


(Cavia porcellus (Guinea pig))
BDBM287097
PNG
(N-(1-(2-(Azepan-1- yl)ethyl)-1H-pyrazolo[3,4- d]py...)
Show SMILES O=C(Nc1ncnc2n(CCN3CCCCCC3)ncc12)C1CCCCC1
Show InChI InChI=1S/C20H30N6O/c27-20(16-8-4-3-5-9-16)24-18-17-14-23-26(19(17)22-15-21-18)13-12-25-10-6-1-2-7-11-25/h14-16H,1-13H2,(H,21,22,24,27)
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13.1n/an/an/an/an/an/an/an/a



LABORATORIOS DEL DR. ESTEVE S.A.

US Patent


Assay Description
Brain membrane preparation and binding assays for the σ1-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y...


US Patent US9567338 (2017)

More data for this
Ligand-Target Pair
Sigma-1 receptor


(Cavia porcellus (Guinea pig))
BDBM287136
PNG
(1-(1-(2-(azepan- 1-yl)ethyl)-1H- pyrazolo[3,4- d]p...)
Show SMILES CNC(=S)Nc1ncnc2n(CCN3CCCCCC3)ncc12
Show InChI InChI=1S/C15H23N7S/c1-16-15(23)20-13-12-10-19-22(14(12)18-11-17-13)9-8-21-6-4-2-3-5-7-21/h10-11H,2-9H2,1H3,(H2,16,17,18,20,23)
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14.9n/an/an/an/an/an/an/an/a



LABORATORIOS DEL DR. ESTEVE S.A.

US Patent


Assay Description
Brain membrane preparation and binding assays for the σ1-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y...


US Patent US9567338 (2017)

More data for this
Ligand-Target Pair
Sigma-1 receptor


(Cavia porcellus (Guinea pig))
BDBM287103
PNG
(N-(1-(2-(Azepan-1- yl)ethyl)-1H-pyrazolo[3,4- d]py...)
Show SMILES O=C(Nc1ncnc2n(CCN3CCCCCC3)ncc12)C12C3CC11CC2CC1C3
Show InChI InChI=1S/C23H30N6O/c30-21(23-16-9-15-10-17(23)12-22(15,23)11-16)27-19-18-13-26-29(20(18)25-14-24-19)8-7-28-5-3-1-2-4-6-28/h13-17H,1-12H2,(H,24,25,27,30)
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15n/an/an/an/an/an/an/an/a



LABORATORIOS DEL DR. ESTEVE S.A.

US Patent


Assay Description
Brain membrane preparation and binding assays for the σ1-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y...


US Patent US9567338 (2017)

More data for this
Ligand-Target Pair
Sigma-1 receptor


(Cavia porcellus (Guinea pig))
BDBM287107
PNG
(N-(1-(2-(azepan-1- yl)ethyl)-1H-pyrazolo[3,4- d]py...)
Show SMILES O=C(Nc1ncnc2n(CCN3CCCCCC3)ncc12)C1CCCC1
Show InChI InChI=1S/C19H28N6O/c26-19(15-7-3-4-8-15)23-17-16-13-22-25(18(16)21-14-20-17)12-11-24-9-5-1-2-6-10-24/h13-15H,1-12H2,(H,20,21,23,26)
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16.4n/an/an/an/an/an/an/an/a



LABORATORIOS DEL DR. ESTEVE S.A.

US Patent


Assay Description
Brain membrane preparation and binding assays for the σ1-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y...


US Patent US9567338 (2017)

More data for this
Ligand-Target Pair
Sigma-1 receptor


(Cavia porcellus (Guinea pig))
BDBM287119
PNG
(1-(1-(2-(Azepan-1- yl)ethyl)-1H- pyrazolo[3,4- d]p...)
Show SMILES O=C(NC1CCCC1)Nc1ncnc2n(CCN3CCCCCC3)ncc12
Show InChI InChI=1S/C19H29N7O/c27-19(23-15-7-3-4-8-15)24-17-16-13-22-26(18(16)21-14-20-17)12-11-25-9-5-1-2-6-10-25/h13-15H,1-12H2,(H2,20,21,23,24,27)
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21.2n/an/an/an/an/an/an/an/a



LABORATORIOS DEL DR. ESTEVE S.A.

US Patent


Assay Description
Brain membrane preparation and binding assays for the σ1-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y...


US Patent US9567338 (2017)

More data for this
Ligand-Target Pair
Sigma-1 receptor


(Cavia porcellus (Guinea pig))
BDBM287139
PNG
(1-(1-(2-(azepan- 1-yl)ethyl)-1H- pyrazolo[3,4- d]p...)
Show SMILES S=C(NC1CC1)Nc1ncnc2n(CCN3CCCCCC3)ncc12
Show InChI InChI=1S/C17H25N7S/c25-17(21-13-5-6-13)22-15-14-11-20-24(16(14)19-12-18-15)10-9-23-7-3-1-2-4-8-23/h11-13H,1-10H2,(H2,18,19,21,22,25)
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21.8n/an/an/an/an/an/an/an/a



LABORATORIOS DEL DR. ESTEVE S.A.

US Patent


Assay Description
Brain membrane preparation and binding assays for the σ1-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y...


US Patent US9567338 (2017)

More data for this
Ligand-Target Pair
Sigma-1 receptor


(Cavia porcellus (Guinea pig))
BDBM287132
PNG
(1-(1-(2-(azepan-1- yl)ethyl)-1H- pyrazolo[3,4- d]p...)
Show SMILES CC(C)NC(=O)Nc1ncnc2n(CCN3CCCCCC3)ncc12
Show InChI InChI=1S/C17H27N7O/c1-13(2)21-17(25)22-15-14-11-20-24(16(14)19-12-18-15)10-9-23-7-5-3-4-6-8-23/h11-13H,3-10H2,1-2H3,(H2,18,19,21,22,25)
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23.4n/an/an/an/an/an/an/an/a



LABORATORIOS DEL DR. ESTEVE S.A.

US Patent


Assay Description
Brain membrane preparation and binding assays for the σ1-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y...


US Patent US9567338 (2017)

More data for this
Ligand-Target Pair
Sigma-1 receptor


(Cavia porcellus (Guinea pig))
BDBM287129
PNG
(1-(1-(2-(azepan-1- yl)ethyl)-1H- pyrazolo[3,4- d]p...)
Show SMILES CCCNC(=O)Nc1ncnc2n(CCN3CCCCCC3)ncc12
Show InChI InChI=1S/C17H27N7O/c1-2-7-18-17(25)22-15-14-12-21-24(16(14)20-13-19-15)11-10-23-8-5-3-4-6-9-23/h12-13H,2-11H2,1H3,(H2,18,19,20,22,25)
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24n/an/an/an/an/an/an/an/a



LABORATORIOS DEL DR. ESTEVE S.A.

US Patent


Assay Description
Brain membrane preparation and binding assays for the σ1-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y...


US Patent US9567338 (2017)

More data for this
Ligand-Target Pair
Sigma-1 receptor


(Cavia porcellus (Guinea pig))
BDBM287093
PNG
(N-(1-(2-(piperidin-1- yl)ethyl)-1H-pyrazolo[3,4- d...)
Show SMILES O=C(Nc1ncnc2n(CCN3CCCCC3)ncc12)C12CC3CC1CC(C2)C3
Show InChI InChI=1S/C22H30N6O/c29-21(22-11-15-8-16(12-22)10-17(22)9-15)26-19-18-13-25-28(20(18)24-14-23-19)7-6-27-4-2-1-3-5-27/h13-17H,1-12H2,(H,23,24,26,29)
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24.4n/an/an/an/an/an/an/an/a



LABORATORIOS DEL DR. ESTEVE S.A.

US Patent


Assay Description
Brain membrane preparation and binding assays for the σ1-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y...


US Patent US9567338 (2017)

More data for this
Ligand-Target Pair
Sigma-1 receptor


(Cavia porcellus (Guinea pig))
BDBM287128
PNG
(1-(1-(2-(azepan-1- yl)ethyl)-1H- pyrazolo[3,4- d]p...)
Show SMILES CC(C)(C)CC(C)(C)NC(=O)Nc1ncnc2n(CCN3CCCCCC3)ncc12
Show InChI InChI=1S/C22H37N7O/c1-21(2,3)15-22(4,5)27-20(30)26-18-17-14-25-29(19(17)24-16-23-18)13-12-28-10-8-6-7-9-11-28/h14,16H,6-13,15H2,1-5H3,(H2,23,24,26,27,30)
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27.9n/an/an/an/an/an/an/an/a



LABORATORIOS DEL DR. ESTEVE S.A.

US Patent


Assay Description
Brain membrane preparation and binding assays for the σ1-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y...


US Patent US9567338 (2017)

More data for this
Ligand-Target Pair
Sigma-1 receptor


(Cavia porcellus (Guinea pig))
BDBM287130
PNG
(1-(1-(2-(azepan-1- yl)ethyl)-1H- pyrazolo[3,4- d]p...)
Show SMILES CCCCNC(=O)Nc1ncnc2n(CCN3CCCCCC3)ncc12
Show InChI InChI=1S/C18H29N7O/c1-2-3-8-19-18(26)23-16-15-13-22-25(17(15)21-14-20-16)12-11-24-9-6-4-5-7-10-24/h13-14H,2-12H2,1H3,(H2,19,20,21,23,26)
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29n/an/an/an/an/an/an/an/a



LABORATORIOS DEL DR. ESTEVE S.A.

US Patent


Assay Description
Brain membrane preparation and binding assays for the σ1-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y...


US Patent US9567338 (2017)

More data for this
Ligand-Target Pair
Sigma-1 receptor


(Cavia porcellus (Guinea pig))
BDBM287116
PNG
(N-(1-(3-(azepan-1- yl)propyl)-1H-pyrazolo[3,4- d]p...)
Show SMILES CC(C)(C)C(=O)Nc1ncnc2n(CCCN3CCCCCC3)ncc12
Show InChI InChI=1S/C19H30N6O/c1-19(2,3)18(26)23-16-15-13-22-25(17(15)21-14-20-16)12-8-11-24-9-6-4-5-7-10-24/h13-14H,4-12H2,1-3H3,(H,20,21,23,26)
PDB

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32.7n/an/an/an/an/an/an/an/a



LABORATORIOS DEL DR. ESTEVE S.A.

US Patent


Assay Description
Brain membrane preparation and binding assays for the σ1-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y...


US Patent US9567338 (2017)

More data for this
Ligand-Target Pair
Sigma-1 receptor


(Cavia porcellus (Guinea pig))
BDBM287126
PNG
(1-(1-(2-(azepan-1- yl)ethyl)-1H- pyrazolo[3,4- d]p...)
Show SMILES CC(C)(C)NC(=O)Nc1ncnc2n(CCN3CCCCCC3)ncc12
Show InChI InChI=1S/C18H29N7O/c1-18(2,3)23-17(26)22-15-14-12-21-25(16(14)20-13-19-15)11-10-24-8-6-4-5-7-9-24/h12-13H,4-11H2,1-3H3,(H2,19,20,22,23,26)
PDB

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41.4n/an/an/an/an/an/an/an/a



LABORATORIOS DEL DR. ESTEVE S.A.

US Patent


Assay Description
Brain membrane preparation and binding assays for the σ1-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y...


US Patent US9567338 (2017)

More data for this
Ligand-Target Pair
Sigma-1 receptor


(Cavia porcellus (Guinea pig))
BDBM287143
PNG
(N-(1-(3-(piperidin-1- yl)propyl)-1H- pyrazolo[3,4-...)
Show SMILES CC(C)(C)C(=O)Nc1ncnc2n(CCCN3CCCCC3)ncc12
Show InChI InChI=1S/C18H28N6O/c1-18(2,3)17(25)22-15-14-12-21-24(16(14)20-13-19-15)11-7-10-23-8-5-4-6-9-23/h12-13H,4-11H2,1-3H3,(H,19,20,22,25)
PDB

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45.1n/an/an/an/an/an/an/an/a



LABORATORIOS DEL DR. ESTEVE S.A.

US Patent


Assay Description
Brain membrane preparation and binding assays for the σ1-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y...


US Patent US9567338 (2017)

More data for this
Ligand-Target Pair
Sigma-1 receptor


(Cavia porcellus (Guinea pig))
BDBM287089
PNG
(N-(1-(2-(Piperidin-1- yl)ethyl)-1H-pyrazolo[3,4- d...)
Show SMILES CC(C)(C)C(=O)Nc1ncnc2n(CCN3CCCCC3)ncc12
Show InChI InChI=1S/C17H26N6O/c1-17(2,3)16(24)21-14-13-11-20-23(15(13)19-12-18-14)10-9-22-7-5-4-6-8-22/h11-12H,4-10H2,1-3H3,(H,18,19,21,24)
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50.6n/an/an/an/an/an/an/an/a



LABORATORIOS DEL DR. ESTEVE S.A.

US Patent


Assay Description
Brain membrane preparation and binding assays for the σ1-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y...


US Patent US9567338 (2017)

More data for this
Ligand-Target Pair
Sigma-1 receptor


(Cavia porcellus (Guinea pig))
BDBM287112
PNG
(N-(1-(2-(azepan-1- yl)ethyl)-1H-pyrazolo[3,4- d]py...)
Show SMILES FC1(F)CCC(CC1)C(=O)Nc1ncnc2n(CCN3CCCCCC3)ncc12
Show InChI InChI=1S/C20H28F2N6O/c21-20(22)7-5-15(6-8-20)19(29)26-17-16-13-25-28(18(16)24-14-23-17)12-11-27-9-3-1-2-4-10-27/h13-15H,1-12H2,(H,23,24,26,29)
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54.6n/an/an/an/an/an/an/an/a



LABORATORIOS DEL DR. ESTEVE S.A.

US Patent


Assay Description
Brain membrane preparation and binding assays for the σ1-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y...


US Patent US9567338 (2017)

More data for this
Ligand-Target Pair
Sigma-1 receptor


(Cavia porcellus (Guinea pig))
BDBM287102
PNG
(N-(1-(2- (Diisopropylamino)ethyl)- 1H-pyrazolo[3,4...)
Show SMILES CC(C)N(CCn1ncc2c(NC(=O)C34C5CC33CC4CC3C5)ncnc12)C(C)C
Show InChI InChI=1S/C23H32N6O/c1-13(2)28(14(3)4)5-6-29-20-18(11-26-29)19(24-12-25-20)27-21(30)23-16-7-15-8-17(23)10-22(15,23)9-16/h11-17H,5-10H2,1-4H3,(H,24,25,27,30)
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55n/an/an/an/an/an/an/an/a



LABORATORIOS DEL DR. ESTEVE S.A.

US Patent


Assay Description
Brain membrane preparation and binding assays for the σ1-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y...


US Patent US9567338 (2017)

More data for this
Ligand-Target Pair
Sigma-1 receptor


(Cavia porcellus (Guinea pig))
BDBM287100
PNG
(N-(1-(2- (Diisopropylamino)ethyl)- 1H-pyrazolo[3,4...)
Show SMILES CC(C)N(CCn1ncc2c(NC(=O)C34CC5CC(CC(C5)C3)C4)ncnc12)C(C)C
Show InChI InChI=1S/C24H36N6O/c1-15(2)29(16(3)4)5-6-30-22-20(13-27-30)21(25-14-26-22)28-23(31)24-10-17-7-18(11-24)9-19(8-17)12-24/h13-19H,5-12H2,1-4H3,(H,25,26,28,31)
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56.7n/an/an/an/an/an/an/an/a



LABORATORIOS DEL DR. ESTEVE S.A.

US Patent


Assay Description
Brain membrane preparation and binding assays for the σ1-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y...


US Patent US9567338 (2017)

More data for this
Ligand-Target Pair
Sigma-1 receptor


(Cavia porcellus (Guinea pig))
BDBM287104
PNG
(N-(1-(2-(Azepan-1- yl)ethyl)-1H-pyrazolo[3,4- d]py...)
Show SMILES Clc1ccc(C(=O)Nc2ncnc3n(CCN4CCCCCC4)ncc23)c(Cl)c1
Show InChI InChI=1S/C20H22Cl2N6O/c21-14-5-6-15(17(22)11-14)20(29)26-18-16-12-25-28(19(16)24-13-23-18)10-9-27-7-3-1-2-4-8-27/h5-6,11-13H,1-4,7-10H2,(H,23,24,26,29)
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58n/an/an/an/an/an/an/an/a



LABORATORIOS DEL DR. ESTEVE S.A.

US Patent


Assay Description
Brain membrane preparation and binding assays for the σ1-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y...


US Patent US9567338 (2017)

More data for this
Ligand-Target Pair
Sigma-1 receptor


(Cavia porcellus (Guinea pig))
BDBM287115
PNG
(N-(1-(4-(azepan-1- yl)butyl)-1H-pyrazolo[3,4- d]py...)
Show SMILES CC(C)(C)C(=O)Nc1ncnc2n(CCCCN3CCCCCC3)ncc12
Show InChI InChI=1S/C20H32N6O/c1-20(2,3)19(27)24-17-16-14-23-26(18(16)22-15-21-17)13-9-8-12-25-10-6-4-5-7-11-25/h14-15H,4-13H2,1-3H3,(H,21,22,24,27)
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61.9n/an/an/an/an/an/an/an/a



LABORATORIOS DEL DR. ESTEVE S.A.

US Patent


Assay Description
Brain membrane preparation and binding assays for the σ1-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y...


US Patent US9567338 (2017)

More data for this
Ligand-Target Pair
Sigma-1 receptor


(Cavia porcellus (Guinea pig))
BDBM287090
PNG
(N-(1-(2-(Piperidin-1- yl)ethyl)-1H-pyrazolo[3,4- d...)
Show SMILES O=C(Nc1ncnc2n(CCN3CCCCC3)ncc12)C1CCCCC1
Show InChI InChI=1S/C19H28N6O/c26-19(15-7-3-1-4-8-15)23-17-16-13-22-25(18(16)21-14-20-17)12-11-24-9-5-2-6-10-24/h13-15H,1-12H2,(H,20,21,23,26)
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73.1n/an/an/an/an/an/an/an/a



LABORATORIOS DEL DR. ESTEVE S.A.

US Patent


Assay Description
Brain membrane preparation and binding assays for the σ1-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y...


US Patent US9567338 (2017)

More data for this
Ligand-Target Pair
Sigma-1 receptor


(Cavia porcellus (Guinea pig))
BDBM287113
PNG
(N-(1-(2-(pyrrolidin-1- yl)ethyl)-1H-pyrazolo[3,4- ...)
Show SMILES O=C(Nc1ncnc2n(CCN3CCCC3)ncc12)C1CCCCC1
Show InChI InChI=1S/C18H26N6O/c25-18(14-6-2-1-3-7-14)22-16-15-12-21-24(17(15)20-13-19-16)11-10-23-8-4-5-9-23/h12-14H,1-11H2,(H,19,20,22,25)
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74.4n/an/an/an/an/an/an/an/a



LABORATORIOS DEL DR. ESTEVE S.A.

US Patent


Assay Description
Brain membrane preparation and binding assays for the σ1-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y...


US Patent US9567338 (2017)

More data for this
Ligand-Target Pair
Sigma-1 receptor


(Cavia porcellus (Guinea pig))
BDBM287118
PNG
(1-(1-(2-(Azepan-1- yl)ethyl)-1H- pyrazolo[3,4- d]p...)
Show SMILES CCNC(=O)Nc1ncnc2n(CCN3CCCCCC3)ncc12
Show InChI InChI=1S/C16H25N7O/c1-2-17-16(24)21-14-13-11-20-23(15(13)19-12-18-14)10-9-22-7-5-3-4-6-8-22/h11-12H,2-10H2,1H3,(H2,17,18,19,21,24)
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78.7n/an/an/an/an/an/an/an/a



LABORATORIOS DEL DR. ESTEVE S.A.

US Patent


Assay Description
Brain membrane preparation and binding assays for the σ1-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y...


US Patent US9567338 (2017)

More data for this
Ligand-Target Pair
Sigma-1 receptor


(Cavia porcellus (Guinea pig))
BDBM287147
PNG
(1-(1-(2-(piperidin-1- yl)ethyl)-1H- pyrazolo[3,4- ...)
Show SMILES CCCNC(=O)Nc1ncnc2n(CCN3CCCCC3)ncc12
Show InChI InChI=1S/C16H25N7O/c1-2-6-17-16(24)21-14-13-11-20-23(15(13)19-12-18-14)10-9-22-7-4-3-5-8-22/h11-12H,2-10H2,1H3,(H2,17,18,19,21,24)
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85.2n/an/an/an/an/an/an/an/a



LABORATORIOS DEL DR. ESTEVE S.A.

US Patent


Assay Description
Brain membrane preparation and binding assays for the σ1-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y...


US Patent US9567338 (2017)

More data for this
Ligand-Target Pair
Sigma-1 receptor


(Cavia porcellus (Guinea pig))
BDBM287131
PNG
(1-(1-(2-(azepan-1- yl)ethyl)-1H- pyrazolo[3,4- d]p...)
Show SMILES O=C(NC1CC1)Nc1ncnc2n(CCN3CCCCCC3)ncc12
Show InChI InChI=1S/C17H25N7O/c25-17(21-13-5-6-13)22-15-14-11-20-24(16(14)19-12-18-15)10-9-23-7-3-1-2-4-8-23/h11-13H,1-10H2,(H2,18,19,21,22,25)
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100n/an/an/an/an/an/an/an/a



LABORATORIOS DEL DR. ESTEVE S.A.

US Patent


Assay Description
Brain membrane preparation and binding assays for the σ1-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y...


US Patent US9567338 (2017)

More data for this
Ligand-Target Pair
Sigma-1 receptor


(Cavia porcellus (Guinea pig))
BDBM287133
PNG
(1-(1-(3-(azepan-1- yl)propyl)-1H- pyrazolo[3,4- d]...)
Show SMILES CCCNC(=O)Nc1ncnc2n(CCCN3CCCCCC3)ncc12
Show InChI InChI=1S/C18H29N7O/c1-2-8-19-18(26)23-16-15-13-22-25(17(15)21-14-20-16)12-7-11-24-9-5-3-4-6-10-24/h13-14H,2-12H2,1H3,(H2,19,20,21,23,26)
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102n/an/an/an/an/an/an/an/a



LABORATORIOS DEL DR. ESTEVE S.A.

US Patent


Assay Description
Brain membrane preparation and binding assays for the σ1-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y...


US Patent US9567338 (2017)

More data for this
Ligand-Target Pair
Sigma-1 receptor


(Cavia porcellus (Guinea pig))
BDBM287127
PNG
(1-(1-(2-(azepan-1- yl)ethyl)-1H- pyrazolo[3,4- d]p...)
Show SMILES Clc1ccc(NC(=O)Nc2ncnc3n(CCN4CCCCCC4)ncc23)c(Cl)c1
Show InChI InChI=1S/C20H23Cl2N7O/c21-14-5-6-17(16(22)11-14)26-20(30)27-18-15-12-25-29(19(15)24-13-23-18)10-9-28-7-3-1-2-4-8-28/h5-6,11-13H,1-4,7-10H2,(H2,23,24,26,27,30)
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108n/an/an/an/an/an/an/an/a



LABORATORIOS DEL DR. ESTEVE S.A.

US Patent


Assay Description
Brain membrane preparation and binding assays for the σ1-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y...


US Patent US9567338 (2017)

More data for this
Ligand-Target Pair
Sigma-1 receptor


(Cavia porcellus (Guinea pig))
BDBM287114
PNG
(N-(1-(2-(pyrrolidin-1- yl)ethyl)-1H-pyrazolo[3,4- ...)
Show SMILES O=C(Nc1ncnc2n(CCN3CCCC3)ncc12)C1CCCC1
Show InChI InChI=1S/C17H24N6O/c24-17(13-5-1-2-6-13)21-15-14-11-20-23(16(14)19-12-18-15)10-9-22-7-3-4-8-22/h11-13H,1-10H2,(H,18,19,21,24)
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116n/an/an/an/an/an/an/an/a



LABORATORIOS DEL DR. ESTEVE S.A.

US Patent


Assay Description
Brain membrane preparation and binding assays for the σ1-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y...


US Patent US9567338 (2017)

More data for this
Ligand-Target Pair
Sigma-1 receptor


(Cavia porcellus (Guinea pig))
BDBM287120
PNG
(1-(1-(2-(Azepan-1- yl)ethyl)-1H- pyrazolo[3,4- d]p...)
Show SMILES O=C(NC1CCCCC1)Nc1ncnc2n(CCN3CCCCCC3)ncc12
Show InChI InChI=1S/C20H31N7O/c28-20(24-16-8-4-3-5-9-16)25-18-17-14-23-27(19(17)22-15-21-18)13-12-26-10-6-1-2-7-11-26/h14-16H,1-13H2,(H2,21,22,24,25,28)
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119n/an/an/an/an/an/an/an/a



LABORATORIOS DEL DR. ESTEVE S.A.

US Patent


Assay Description
Brain membrane preparation and binding assays for the σ1-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y...


US Patent US9567338 (2017)

More data for this
Ligand-Target Pair
Sigma-1 receptor


(Cavia porcellus (Guinea pig))
BDBM287124
PNG
(1-(2,4-Dichlorophenyl)- 3-(1-(2-(piperidin-1- yl)e...)
Show SMILES Clc1ccc(NC(=O)Nc2ncnc3n(CCN4CCCCC4)ncc23)c(Cl)c1
Show InChI InChI=1S/C19H21Cl2N7O/c20-13-4-5-16(15(21)10-13)25-19(29)26-17-14-11-24-28(18(14)23-12-22-17)9-8-27-6-2-1-3-7-27/h4-5,10-12H,1-3,6-9H2,(H2,22,23,25,26,29)
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142n/an/an/an/an/an/an/an/a



LABORATORIOS DEL DR. ESTEVE S.A.

US Patent


Assay Description
Brain membrane preparation and binding assays for the σ1-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y...


US Patent US9567338 (2017)

More data for this
Ligand-Target Pair
Sigma-1 receptor


(Cavia porcellus (Guinea pig))
BDBM287110
PNG
(N-(1-(2-(azepan-1- yl)ethyl)-1H-pyrazolo[3,4- d]py...)
Show SMILES Fc1ccc(cc1)C(=O)Nc1ncnc2n(CCN3CCCCCC3)ncc12
Show InChI InChI=1S/C20H23FN6O/c21-16-7-5-15(6-8-16)20(28)25-18-17-13-24-27(19(17)23-14-22-18)12-11-26-9-3-1-2-4-10-26/h5-8,13-14H,1-4,9-12H2,(H,22,23,25,28)
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156n/an/an/an/an/an/an/an/a



LABORATORIOS DEL DR. ESTEVE S.A.

US Patent


Assay Description
Brain membrane preparation and binding assays for the σ1-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y...


US Patent US9567338 (2017)

More data for this
Ligand-Target Pair
Sigma-1 receptor


(Cavia porcellus (Guinea pig))
BDBM287123
PNG
(1-Adamanthyl-3-(1-(2- (piperidin-1-yl)ethyl)-1H- p...)
Show SMILES O=C(Nc1ncnc2n(CCN3CCCCC3)ncc12)NC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C23H33N7O/c31-22(28-23-11-16-8-17(12-23)10-18(9-16)13-23)27-20-19-14-26-30(21(19)25-15-24-20)7-6-29-4-2-1-3-5-29/h14-18H,1-13H2,(H2,24,25,27,28,31)
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182n/an/an/an/an/an/an/an/a



LABORATORIOS DEL DR. ESTEVE S.A.

US Patent


Assay Description
Brain membrane preparation and binding assays for the σ1-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y...


US Patent US9567338 (2017)

More data for this
Ligand-Target Pair
Sigma-1 receptor


(Cavia porcellus (Guinea pig))
BDBM287141
PNG
(N-(1-(2-(1,4-oxazepan-4- yl)ethyl)-1H-pyrazolo[3,4...)
Show SMILES CC(C)(C)C(=O)Nc1ncnc2n(CCN3CCCOCC3)ncc12
Show InChI InChI=1S/C17H26N6O2/c1-17(2,3)16(24)21-14-13-11-20-23(15(13)19-12-18-14)7-6-22-5-4-9-25-10-8-22/h11-12H,4-10H2,1-3H3,(H,18,19,21,24)
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184n/an/an/an/an/an/an/an/a



LABORATORIOS DEL DR. ESTEVE S.A.

US Patent


Assay Description
Brain membrane preparation and binding assays for the σ1-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y...


US Patent US9567338 (2017)

More data for this
Ligand-Target Pair
Sigma-1 receptor


(Cavia porcellus (Guinea pig))
BDBM287121
PNG
(1-Cyclopentyl-3-(1-(2- (piperidin-1-yl)ethyl)-1H- ...)
Show SMILES O=C(NC1CCCC1)Nc1ncnc2n(CCN3CCCCC3)ncc12
Show InChI InChI=1S/C18H27N7O/c26-18(22-14-6-2-3-7-14)23-16-15-12-21-25(17(15)20-13-19-16)11-10-24-8-4-1-5-9-24/h12-14H,1-11H2,(H2,19,20,22,23,26)
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192n/an/an/an/an/an/an/an/a



LABORATORIOS DEL DR. ESTEVE S.A.

US Patent


Assay Description
Brain membrane preparation and binding assays for the σ1-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y...


US Patent US9567338 (2017)

More data for this
Ligand-Target Pair
Sigma-1 receptor


(Cavia porcellus (Guinea pig))
BDBM287134
PNG
(1-(1-(2-(4-tert- butylpiperidin-1- yl)ethyl)-1H- p...)
Show SMILES CCCNC(=O)Nc1ncnc2n(CCN3CCC(CC3)C(C)(C)C)ncc12
Show InChI InChI=1S/C20H33N7O/c1-5-8-21-19(28)25-17-16-13-24-27(18(16)23-14-22-17)12-11-26-9-6-15(7-10-26)20(2,3)4/h13-15H,5-12H2,1-4H3,(H2,21,22,23,25,28)
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212n/an/an/an/an/an/an/an/a



LABORATORIOS DEL DR. ESTEVE S.A.

US Patent


Assay Description
Brain membrane preparation and binding assays for the σ1-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y...


US Patent US9567338 (2017)

More data for this
Ligand-Target Pair
Sigma-1 receptor


(Cavia porcellus (Guinea pig))
BDBM287148
PNG
(Synthesis of N-(1-(2-(azepan-1-yl)ethyl)-1H-pyrazo...)
Show SMILES Clc1ncnc2n(CCN3CCCCCC3)ncc12
Show InChI InChI=1S/C13H18ClN5/c14-12-11-9-17-19(13(11)16-10-15-12)8-7-18-5-3-1-2-4-6-18/h9-10H,1-8H2
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221n/an/an/an/an/an/an/an/a



LABORATORIOS DEL DR. ESTEVE S.A.

US Patent


Assay Description
Brain membrane preparation and binding assays for the σ1-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y...


US Patent US9567338 (2017)

More data for this
Ligand-Target Pair
Sigma-1 receptor


(Cavia porcellus (Guinea pig))
BDBM287098
PNG
(N-(1-(2- (Diisopropylamino)ethyl)- 1H-pyrazolo[3,4...)
Show SMILES CC(C)N(CCn1ncc2c(NC(=O)C3CCCCC3)ncnc12)C(C)C
Show InChI InChI=1S/C20H32N6O/c1-14(2)25(15(3)4)10-11-26-19-17(12-23-26)18(21-13-22-19)24-20(27)16-8-6-5-7-9-16/h12-16H,5-11H2,1-4H3,(H,21,22,24,27)
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244n/an/an/an/an/an/an/an/a



LABORATORIOS DEL DR. ESTEVE S.A.

US Patent


Assay Description
Brain membrane preparation and binding assays for the σ1-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y...


US Patent US9567338 (2017)

More data for this
Ligand-Target Pair
Sigma-1 receptor


(Cavia porcellus (Guinea pig))
BDBM287117
PNG
(Synthesis of 1-(1-(2-(1,4-oxazepan-4-yl)ethyl)-1H-...)
Show SMILES CCCNC(=O)Nc1ncnc2n(CCN3CCCOCC3)ncc12
Show InChI InChI=1S/C16H25N7O2/c1-2-4-17-16(24)21-14-13-11-20-23(15(13)19-12-18-14)7-6-22-5-3-9-25-10-8-22/h11-12H,2-10H2,1H3,(H2,17,18,19,21,24)
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252n/an/an/an/an/an/an/an/a



LABORATORIOS DEL DR. ESTEVE S.A.

US Patent


Assay Description
Brain membrane preparation and binding assays for the σ1-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y...


US Patent US9567338 (2017)

More data for this
Ligand-Target Pair
Sigma-1 receptor


(Cavia porcellus (Guinea pig))
BDBM287146
PNG
(1-(1-(4-(4-tert- butylpiperidin-1- yl)butyl)-1H- p...)
Show SMILES CCCNC(=O)Nc1ncnc2n(CCCCN3CCC(CC3)C(C)(C)C)ncc12
Show InChI InChI=1S/C22H37N7O/c1-5-10-23-21(30)27-19-18-15-26-29(20(18)25-16-24-19)12-7-6-11-28-13-8-17(9-14-28)22(2,3)4/h15-17H,5-14H2,1-4H3,(H2,23,24,25,27,30)
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280n/an/an/an/an/an/an/an/a



LABORATORIOS DEL DR. ESTEVE S.A.

US Patent


Assay Description
Brain membrane preparation and binding assays for the σ1-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y...


US Patent US9567338 (2017)

More data for this
Ligand-Target Pair
Sigma-1 receptor


(Cavia porcellus (Guinea pig))
BDBM287091
PNG
(2,4-Dichloro-N-(1-(2- (piperidin-1-yl)ethyl)-1H- p...)
Show SMILES Clc1ccc(C(=O)Nc2ncnc3n(CCN4CCCCC4)ncc23)c(Cl)c1
Show InChI InChI=1S/C19H20Cl2N6O/c20-13-4-5-14(16(21)10-13)19(28)25-17-15-11-24-27(18(15)23-12-22-17)9-8-26-6-2-1-3-7-26/h4-5,10-12H,1-3,6-9H2,(H,22,23,25,28)
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292n/an/an/an/an/an/an/an/a



LABORATORIOS DEL DR. ESTEVE S.A.

US Patent


Assay Description
Brain membrane preparation and binding assays for the σ1-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y...


US Patent US9567338 (2017)

More data for this
Ligand-Target Pair
Sigma-1 receptor


(Cavia porcellus (Guinea pig))
BDBM287144
PNG
(N-(1-(3-(4- methylpiperazin-1- yl)propyl)-1H- pyra...)
Show SMILES CN1CCN(CCCn2ncc3c(NC(=O)C(C)(C)C)ncnc23)CC1
Show InChI InChI=1S/C18H29N7O/c1-18(2,3)17(26)22-15-14-12-21-25(16(14)20-13-19-15)7-5-6-24-10-8-23(4)9-11-24/h12-13H,5-11H2,1-4H3,(H,19,20,22,26)
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329n/an/an/an/an/an/an/an/a



LABORATORIOS DEL DR. ESTEVE S.A.

US Patent


Assay Description
Brain membrane preparation and binding assays for the σ1-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y...


US Patent US9567338 (2017)

More data for this
Ligand-Target Pair
Sigma-1 receptor


(Cavia porcellus (Guinea pig))
BDBM287122
PNG
(1-Ethyl-3-(1-(2- (piperidin-1-yl)ethyl)-1H- pyrazo...)
Show SMILES CCNC(=O)Nc1ncnc2n(CCN3CCCCC3)ncc12
Show InChI InChI=1S/C15H23N7O/c1-2-16-15(23)20-13-12-10-19-22(14(12)18-11-17-13)9-8-21-6-4-3-5-7-21/h10-11H,2-9H2,1H3,(H2,16,17,18,20,23)
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371n/an/an/an/an/an/an/an/a



LABORATORIOS DEL DR. ESTEVE S.A.

US Patent


Assay Description
Brain membrane preparation and binding assays for the σ1-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y...


US Patent US9567338 (2017)

More data for this
Ligand-Target Pair
Sigma-1 receptor


(Cavia porcellus (Guinea pig))
BDBM287096
PNG
(N-(1-(2- (Diisopropylamino)ethyl)- 1H-pyrazolo[3,4...)
Show SMILES CC(C)N(CCn1ncc2c(NC(=O)C(C)(C)C)ncnc12)C(C)C
Show InChI InChI=1S/C18H30N6O/c1-12(2)23(13(3)4)8-9-24-16-14(10-21-24)15(19-11-20-16)22-17(25)18(5,6)7/h10-13H,8-9H2,1-7H3,(H,19,20,22,25)
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399n/an/an/an/an/an/an/an/a



LABORATORIOS DEL DR. ESTEVE S.A.

US Patent


Assay Description
Brain membrane preparation and binding assays for the σ1-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y...


US Patent US9567338 (2017)

More data for this
Ligand-Target Pair
Sigma-1 receptor


(Cavia porcellus (Guinea pig))
BDBM287105
PNG
(N-(1-(2-(Azepan-1- yl)ethyl)-1H-pyrazolo[3,4- d]py...)
Show SMILES O=C(Nc1ncnc2n(CCN3CCCCCC3)ncc12)C1CCOCC1
Show InChI InChI=1S/C19H28N6O2/c26-19(15-5-11-27-12-6-15)23-17-16-13-22-25(18(16)21-14-20-17)10-9-24-7-3-1-2-4-8-24/h13-15H,1-12H2,(H,20,21,23,26)
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514n/an/an/an/an/an/an/an/a



LABORATORIOS DEL DR. ESTEVE S.A.

US Patent


Assay Description
Brain membrane preparation and binding assays for the σ1-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y...


US Patent US9567338 (2017)

More data for this
Ligand-Target Pair
Sigma-1 receptor


(Cavia porcellus (Guinea pig))
BDBM287108
PNG
(N-(1-(2-(4- isopropylpiperazin-1- yl)ethyl)-1H-pyr...)
Show SMILES CC(C)N1CCN(CCn2ncc3c(NC(=O)C45CC6CC(CC(C6)C4)C5)ncnc23)CC1
Show InChI InChI=1S/C25H37N7O/c1-17(2)31-6-3-30(4-7-31)5-8-32-23-21(15-28-32)22(26-16-27-23)29-24(33)25-12-18-9-19(13-25)11-20(10-18)14-25/h15-20H,3-14H2,1-2H3,(H,26,27,29,33)
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573n/an/an/an/an/an/an/an/a



LABORATORIOS DEL DR. ESTEVE S.A.

US Patent


Assay Description
Brain membrane preparation and binding assays for the σ1-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y...


US Patent US9567338 (2017)

More data for this
Ligand-Target Pair
Sigma-1 receptor


(Cavia porcellus (Guinea pig))
BDBM287106
PNG
(N-(1-(2- (Diisopropylamino)ethyl)- 1H-pyrazolo[3,4...)
Show SMILES CC(C)N(CCn1ncc2c(NC(=O)C3CCCC3)ncnc12)C(C)C
Show InChI InChI=1S/C19H30N6O/c1-13(2)24(14(3)4)9-10-25-18-16(11-22-25)17(20-12-21-18)23-19(26)15-7-5-6-8-15/h11-15H,5-10H2,1-4H3,(H,20,21,23,26)
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631n/an/an/an/an/an/an/an/a



LABORATORIOS DEL DR. ESTEVE S.A.

US Patent


Assay Description
Brain membrane preparation and binding assays for the σ1-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y...


US Patent US9567338 (2017)

More data for this
Ligand-Target Pair
Sigma-1 receptor


(Cavia porcellus (Guinea pig))
BDBM287099
PNG
(N-(1-[2-(Morpholinoethyl]- 1H-pyrazolo[3,4- d]pyri...)
Show SMILES CC(C)N1CCN(CCn2ncc3c(NC(=O)C4CCCC4)ncnc23)CC1
Show InChI InChI=1S/C20H31N7O/c1-15(2)26-10-7-25(8-11-26)9-12-27-19-17(13-23-27)18(21-14-22-19)24-20(28)16-5-3-4-6-16/h13-16H,3-12H2,1-2H3,(H,21,22,24,28)
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683n/an/an/an/an/an/an/an/a



LABORATORIOS DEL DR. ESTEVE S.A.

US Patent


Assay Description
Brain membrane preparation and binding assays for the σ1-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y...


US Patent US9567338 (2017)

More data for this
Ligand-Target Pair
Sigma-1 receptor


(Cavia porcellus (Guinea pig))
BDBM287092
PNG
(3,5-di-tert-Butyl-N-(1-(2- (piperidin-1-yl)ethyl)-...)
Show SMILES CC(C)(C)c1cc(cc(c1)C(C)(C)C)C(=O)Nc1ncnc2n(CCN3CCCCC3)ncc12
Show InChI InChI=1S/C27H38N6O/c1-26(2,3)20-14-19(15-21(16-20)27(4,5)6)25(34)31-23-22-17-30-33(24(22)29-18-28-23)13-12-32-10-8-7-9-11-32/h14-18H,7-13H2,1-6H3,(H,28,29,31,34)
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700n/an/an/an/an/an/an/an/a



LABORATORIOS DEL DR. ESTEVE S.A.

US Patent


Assay Description
Brain membrane preparation and binding assays for the σ1-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y...


US Patent US9567338 (2017)

More data for this
Ligand-Target Pair
Sigma-1 receptor


(Cavia porcellus (Guinea pig))
BDBM287149
PNG
(Synthesis of 4-(2,5-dimethyl-1H-pyrrol-1-yl)-1-(2-...)
Show SMILES Cc1ccc(C)n1-c1ncnc2n(CCN3CCCCC3)ncc12
Show InChI InChI=1S/C18H24N6/c1-14-6-7-15(2)24(14)18-16-12-21-23(17(16)19-13-20-18)11-10-22-8-4-3-5-9-22/h6-7,12-13H,3-5,8-11H2,1-2H3
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740n/an/an/an/an/an/an/an/a



LABORATORIOS DEL DR. ESTEVE S.A.

US Patent


Assay Description
Brain membrane preparation and binding assays for the σ1-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y...


US Patent US9567338 (2017)

More data for this
Ligand-Target Pair
Sigma-1 receptor


(Cavia porcellus (Guinea pig))
BDBM287099
PNG
(N-(1-[2-(Morpholinoethyl]- 1H-pyrazolo[3,4- d]pyri...)
Show SMILES CC(C)N1CCN(CCn2ncc3c(NC(=O)C4CCCC4)ncnc23)CC1
Show InChI InChI=1S/C20H31N7O/c1-15(2)26-10-7-25(8-11-26)9-12-27-19-17(13-23-27)18(21-14-22-19)24-20(28)16-5-3-4-6-16/h13-16H,3-12H2,1-2H3,(H,21,22,24,28)
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774n/an/an/an/an/an/an/an/a



LABORATORIOS DEL DR. ESTEVE S.A.

US Patent


Assay Description
Brain membrane preparation and binding assays for the σ1-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y...


US Patent US9567338 (2017)

More data for this
Ligand-Target Pair
Sigma-1 receptor


(Cavia porcellus (Guinea pig))
BDBM287125
PNG
(1-tert-Butyl-3-(1-(2- (diisopropylamino)ethyl)- 1H...)
Show SMILES CC(C)N(CCn1ncc2c(NC(=O)NC(C)(C)C)ncnc12)C(C)C
Show InChI InChI=1S/C18H31N7O/c1-12(2)24(13(3)4)8-9-25-16-14(10-21-25)15(19-11-20-16)22-17(26)23-18(5,6)7/h10-13H,8-9H2,1-7H3,(H2,19,20,22,23,26)
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805n/an/an/an/an/an/an/an/a



LABORATORIOS DEL DR. ESTEVE S.A.

US Patent


Assay Description
Brain membrane preparation and binding assays for the σ1-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y...


US Patent US9567338 (2017)

More data for this
Ligand-Target Pair
Sigma-1 receptor


(Cavia porcellus (Guinea pig))
BDBM287142
PNG
(N-(1-(2-(4-methyl-1,4- diazepan-1-yl)ethyl)-1H- py...)
Show SMILES CN1CCCN(CCn2ncc3c(NC(=O)C(C)(C)C)ncnc23)CC1
Show InChI InChI=1S/C18H29N7O/c1-18(2,3)17(26)22-15-14-12-21-25(16(14)20-13-19-15)11-10-24-7-5-6-23(4)8-9-24/h12-13H,5-11H2,1-4H3,(H,19,20,22,26)
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814n/an/an/an/an/an/an/an/a



LABORATORIOS DEL DR. ESTEVE S.A.

US Patent


Assay Description
Brain membrane preparation and binding assays for the σ1-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y...


US Patent US9567338 (2017)

More data for this
Ligand-Target Pair
Sigma-1 receptor


(Cavia porcellus (Guinea pig))
BDBM287145
PNG
(N-(1-(4-(4-tert- butylpiperidin-1-yl)butyl)- 1H-py...)
Show SMILES CC(C)(C)C1CCN(CCCCn2ncc3c(NC(=O)C(C)(C)C)ncnc23)CC1
Show InChI InChI=1S/C23H38N6O/c1-22(2,3)17-9-13-28(14-10-17)11-7-8-12-29-20-18(15-26-29)19(24-16-25-20)27-21(30)23(4,5)6/h15-17H,7-14H2,1-6H3,(H,24,25,27,30)
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946n/an/an/an/an/an/an/an/a



LABORATORIOS DEL DR. ESTEVE S.A.

US Patent


Assay Description
Brain membrane preparation and binding assays for the σ1-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y...


US Patent US9567338 (2017)

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