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Patent code US9611229

Compile Data Set for Download or QSAR
Found 39 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-type opioid receptor


()
BDBM50077877
PNG
(CHEMBL3417042 | US9611229, 2)
Show SMILES Clc1ccc(cc1Cl)-n1cc(NCCN2CCCCC2)nn1
Show InChI InChI=1S/C15H19Cl2N5/c16-13-5-4-12(10-14(13)17)22-11-15(19-20-22)18-6-9-21-7-2-1-3-8-21/h4-5,10-11,18H,1-3,6-9H2
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4.80n/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 61-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y. For...


US Patent US9611229 (2017)

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


()
BDBM50077891
PNG
(CHEMBL3417066 | US9611229, 12)
Show SMILES Clc1ccc(Cn2cc(NCCN3CCCCCC3)nn2)cc1Cl
Show InChI InChI=1S/C17H23Cl2N5/c18-15-6-5-14(11-16(15)19)12-24-13-17(21-22-24)20-7-10-23-8-3-1-2-4-9-23/h5-6,11,13,20H,1-4,7-10,12H2
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8.70n/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 61-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y. For...


US Patent US9611229 (2017)

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


()
BDBM50077886
PNG
(CHEMBL3417058 | US9611229, 9)
Show SMILES Clc1ccc(Cn2cc(NCCN3CCCCC3)nn2)cc1Cl
Show InChI InChI=1S/C16H21Cl2N5/c17-14-5-4-13(10-15(14)18)11-23-12-16(20-21-23)19-6-9-22-7-2-1-3-8-22/h4-5,10,12,19H,1-3,6-9,11H2
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10.3n/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 61-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y. For...


US Patent US9611229 (2017)

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


()
BDBM314366
PNG
(N-(2-(azepan-1- yl)ethyl)-1-(1- adamantyl)-1H- 1,2...)
Show SMILES C(CN1CCCCCC1)Nc1cn(nn1)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C20H33N5/c1-2-4-7-24(6-3-1)8-5-21-19-15-25(23-22-19)20-12-16-9-17(13-20)11-18(10-16)14-20/h15-18,21H,1-14H2
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US Patent
10.8n/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 61-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y. For...


US Patent US9611229 (2017)

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


()
BDBM50077899
PNG
(CHEMBL3417052 | US9611229, 13)
Show SMILES Fc1cccc(c1)-n1cc(NCCN2CCCCCC2)nn1
Show InChI InChI=1S/C16H22FN5/c17-14-6-5-7-15(12-14)22-13-16(19-20-22)18-8-11-21-9-3-1-2-4-10-21/h5-7,12-13,18H,1-4,8-11H2
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11.7n/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 61-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y. For...


US Patent US9611229 (2017)

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


()
BDBM50077905
PNG
(CHEMBL3417068 | US9611229, 33)
Show SMILES Clc1ccc(Cn2cc(NCCN3CCCOCC3)nn2)cc1Cl
Show InChI InChI=1S/C16H21Cl2N5O/c17-14-3-2-13(10-15(14)18)11-23-12-16(20-21-23)19-4-6-22-5-1-8-24-9-7-22/h2-3,10,12,19H,1,4-9,11H2
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13.4n/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 61-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y. For...


US Patent US9611229 (2017)

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


()
BDBM50077892
PNG
(CHEMBL3417067 | US9611229, 15)
Show SMILES C(CN1CCCCCC1)Nc1cn(Cc2ccccc2)nn1
Show InChI InChI=1S/C17H25N5/c1-2-7-12-21(11-6-1)13-10-18-17-15-22(20-19-17)14-16-8-4-3-5-9-16/h3-5,8-9,15,18H,1-2,6-7,10-14H2
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23.3n/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 61-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y. For...


US Patent US9611229 (2017)

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


()
BDBM50077878
PNG
(CHEMBL3417043 | US9611229, 3)
Show SMILES Clc1ccc(c(Cl)c1)-n1cc(NCCN2CCCCC2)nn1
Show InChI InChI=1S/C15H19Cl2N5/c16-12-4-5-14(13(17)10-12)22-11-15(19-20-22)18-6-9-21-7-2-1-3-8-21/h4-5,10-11,18H,1-3,6-9H2
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31.1n/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 61-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y. For...


US Patent US9611229 (2017)

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


()
BDBM50077881
PNG
(CHEMBL3417047 | US9611229, 47)
Show SMILES Fc1ccc(cc1F)-n1cc(NCCN2CCCCC2)nn1
Show InChI InChI=1S/C15H19F2N5/c16-13-5-4-12(10-14(13)17)22-11-15(19-20-22)18-6-9-21-7-2-1-3-8-21/h4-5,10-11,18H,1-3,6-9H2
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31.4n/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 61-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y. For...


US Patent US9611229 (2017)

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


()
BDBM50077889
PNG
(CHEMBL3417061 | US9611229, 37)
Show SMILES Fc1ccc(Cn2cc(NCCN3CCCCC3)nn2)cc1F
Show InChI InChI=1S/C16H21F2N5/c17-14-5-4-13(10-15(14)18)11-23-12-16(20-21-23)19-6-9-22-7-2-1-3-8-22/h4-5,10,12,19H,1-3,6-9,11H2
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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 61-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y. For...


US Patent US9611229 (2017)

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


()
BDBM314373
PNG
(1-(3-fluorophenyl)-N- (2-(pyrrolidin-1- yl)ethyl)-...)
Show SMILES Fc1cccc(c1)-n1cc(NCCN2CCCC2)nn1
Show InChI InChI=1S/C14H18FN5/c15-12-4-3-5-13(10-12)20-11-14(17-18-20)16-6-9-19-7-1-2-8-19/h3-5,10-11,16H,1-2,6-9H2
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34.6n/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 61-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y. For...


US Patent US9611229 (2017)

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


()
BDBM314290
PNG
(1-(3,4- dichlorobenzyl)-N- (3-(piperidin-1- yl)pro...)
Show SMILES Clc1ccc(Cn2cc(NCCCN3CCCCC3)nn2)cc1Cl
Show InChI InChI=1S/C17H23Cl2N5/c18-15-6-5-14(11-16(15)19)12-24-13-17(21-22-24)20-7-4-10-23-8-2-1-3-9-23/h5-6,11,13,20H,1-4,7-10,12H2
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34.8n/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 61-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y. For...


US Patent US9611229 (2017)

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


()
BDBM50077888
PNG
(CHEMBL3417060 | US9611229, 18)
Show SMILES Fc1cccc(Cn2cc(NCCN3CCCCC3)nn2)c1
Show InChI InChI=1S/C16H22FN5/c17-15-6-4-5-14(11-15)12-22-13-16(19-20-22)18-7-10-21-8-2-1-3-9-21/h4-6,11,13,18H,1-3,7-10,12H2
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35.4n/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 61-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y. For...


US Patent US9611229 (2017)

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


()
BDBM50077883
PNG
(CHEMBL3417054 | US9611229, 32)
Show SMILES Fc1cccc(c1)-n1cc(NCCN2CCCOCC2)nn1
Show InChI InChI=1S/C15H20FN5O/c16-13-3-1-4-14(11-13)21-12-15(18-19-21)17-5-7-20-6-2-9-22-10-8-20/h1,3-4,11-12,17H,2,5-10H2
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36.3n/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 61-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y. For...


US Patent US9611229 (2017)

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


()
BDBM314393
PNG
(1-(3,4- dichlorobenzyl)-N- (3-(piperidin-1- yl)pro...)
Show SMILES CCCN(CCCN1CCCCC1)c1cn(Cc2ccc(Cl)c(Cl)c2)nn1
Show InChI InChI=1S/C20H29Cl2N5/c1-2-9-26(13-6-12-25-10-4-3-5-11-25)20-16-27(24-23-20)15-17-7-8-18(21)19(22)14-17/h7-8,14,16H,2-6,9-13,15H2,1H3
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42.5n/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 61-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y. For...


US Patent US9611229 (2017)

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


()
BDBM50077893
PNG
(CHEMBL3417069 | US9611229, 40)
Show SMILES Fc1ccc(Cn2cc(NCCN3CCC(F)(F)CC3)nn2)cc1F
Show InChI InChI=1S/C16H19F4N5/c17-13-2-1-12(9-14(13)18)10-25-11-15(22-23-25)21-5-8-24-6-3-16(19,20)4-7-24/h1-2,9,11,21H,3-8,10H2
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45.5n/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 61-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y. For...


US Patent US9611229 (2017)

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


()
BDBM50077882
PNG
(CHEMBL3417049 | US9611229, 5)
Show SMILES Clc1ccc(cc1Cl)-n1cc(NCCN2CCOCC2)nn1
Show InChI InChI=1S/C14H17Cl2N5O/c15-12-2-1-11(9-13(12)16)21-10-14(18-19-21)17-3-4-20-5-7-22-8-6-20/h1-2,9-10,17H,3-8H2
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45.8n/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 61-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y. For...


US Patent US9611229 (2017)

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


()
BDBM50077885
PNG
(CHEMBL3417057 | US9611229, 4)
Show SMILES C(CN1CCCCC1)Nc1cn(Cc2ccccc2)nn1
Show InChI InChI=1S/C16H23N5/c1-3-7-15(8-4-1)13-21-14-16(18-19-21)17-9-12-20-10-5-2-6-11-20/h1,3-4,7-8,14,17H,2,5-6,9-13H2
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48.5n/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 61-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y. For...


US Patent US9611229 (2017)

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


()
BDBM50077887
PNG
(CHEMBL3417059 | US9611229, 17)
Show SMILES Fc1ccc(Cn2cc(NCCN3CCCCC3)nn2)cc1
Show InChI InChI=1S/C16H22FN5/c17-15-6-4-14(5-7-15)12-22-13-16(19-20-22)18-8-11-21-9-2-1-3-10-21/h4-7,13,18H,1-3,8-12H2
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51.7n/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 61-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y. For...


US Patent US9611229 (2017)

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


()
BDBM50077900
PNG
(CHEMBL3417053 | US9611229, 31)
Show SMILES Fc1cccc(c1)-n1cc(NCCN2CCN(CC2)C2CCCCC2)nn1
Show InChI InChI=1S/C20H29FN6/c21-17-5-4-8-19(15-17)27-16-20(23-24-27)22-9-10-25-11-13-26(14-12-25)18-6-2-1-3-7-18/h4-5,8,15-16,18,22H,1-3,6-7,9-14H2
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56.4n/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 61-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y. For...


US Patent US9611229 (2017)

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


()
BDBM50077880
PNG
(CHEMBL3417045 | US9611229, 46)
Show SMILES Fc1cccc(c1)-n1cc(NCCN2CCCCC2)nn1
Show InChI InChI=1S/C15H20FN5/c16-13-5-4-6-14(11-13)21-12-15(18-19-21)17-7-10-20-8-2-1-3-9-20/h4-6,11-12,17H,1-3,7-10H2
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57.7n/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 61-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y. For...


US Patent US9611229 (2017)

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


()
BDBM50077890
PNG
(CHEMBL3417063 | US9611229, 7)
Show SMILES Clc1ccc(Cn2cc(NCCN3CCOCC3)nn2)cc1Cl
Show InChI InChI=1S/C15H19Cl2N5O/c16-13-2-1-12(9-14(13)17)10-22-11-15(19-20-22)18-3-4-21-5-7-23-8-6-21/h1-2,9,11,18H,3-8,10H2
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61.1n/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 61-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y. For...


US Patent US9611229 (2017)

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


()
BDBM50077879
PNG
(CHEMBL3417044 | US9611229, 39)
Show SMILES Clc1ccc(cc1)-n1cc(NCCN2CCCCC2)nn1
Show InChI InChI=1S/C15H20ClN5/c16-13-4-6-14(7-5-13)21-12-15(18-19-21)17-8-11-20-9-2-1-3-10-20/h4-7,12,17H,1-3,8-11H2
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61.5n/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 61-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y. For...


US Patent US9611229 (2017)

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


()
BDBM314376
PNG
(1-cyclohexyl-N-(2-(4- cyclohexylpiperazin- 1-yl)et...)
Show SMILES C(CN1CCN(CC1)C1CCCCC1)Nc1cn(nn1)C1CCCCC1
Show InChI InChI=1S/C20H36N6/c1-3-7-18(8-4-1)25-15-13-24(14-16-25)12-11-21-20-17-26(23-22-20)19-9-5-2-6-10-19/h17-19,21H,1-16H2
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US Patent
62.5n/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 61-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y. For...


US Patent US9611229 (2017)

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


()
BDBM314375
PNG
(1-cyclohexyl-N-(2- (piperidin-1-yl)ethyl)- 1H-1,2,...)
Show SMILES C(CN1CCCCC1)Nc1cn(nn1)C1CCCCC1
Show InChI InChI=1S/C15H27N5/c1-3-7-14(8-4-1)20-13-15(17-18-20)16-9-12-19-10-5-2-6-11-19/h13-14,16H,1-12H2
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US Patent
68.7n/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 61-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y. For...


US Patent US9611229 (2017)

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


()
BDBM50077884
PNG
(CHEMBL3417055 | US9611229, 43)
Show SMILES Fc1ccc(cc1F)-n1cc(NCCN2CCC(F)(F)CC2)nn1
Show InChI InChI=1S/C15H17F4N5/c16-12-2-1-11(9-13(12)17)24-10-14(21-22-24)20-5-8-23-6-3-15(18,19)4-7-23/h1-2,9-10,20H,3-8H2
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US Patent
70.2n/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 61-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y. For...


US Patent US9611229 (2017)

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


()
BDBM314392
PNG
(N-(1-(1- adamantyl)-1H- 1,2,3-triazol-4- yl)-N-(2-...)
Show SMILES CC(=O)N(CCN1CCOCC1)c1cn(nn1)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C20H31N5O2/c1-15(26)24(3-2-23-4-6-27-7-5-23)19-14-25(22-21-19)20-11-16-8-17(12-20)10-18(9-16)13-20/h14,16-18H,2-13H2,1H3
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US Patent
71.5n/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 61-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y. For...


US Patent US9611229 (2017)

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


()
BDBM50077869
PNG
(CHEMBL3417078 | US9611229, 6)
Show SMILES C(CN1CCOCC1)Nc1cn(nn1)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C18H29N5O/c1(2-22-3-5-24-6-4-22)19-17-13-23(21-20-17)18-10-14-7-15(11-18)9-16(8-14)12-18/h13-16,19H,1-12H2
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US Patent
97.4n/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 61-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y. For...


US Patent US9611229 (2017)

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


()
BDBM50077862
PNG
(CHEMBL3417071 | US9611229, 49)
Show SMILES C[C@H]1CCC[C@@H](C)N1CCNc1cn(Cc2ccc(F)cc2)nn1
Show InChI InChI=1S/C18H26FN5/c1-14-4-3-5-15(2)24(14)11-10-20-18-13-23(22-21-18)12-16-6-8-17(19)9-7-16/h6-9,13-15,20H,3-5,10-12H2,1-2H3/t14-,15+
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99.4n/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 61-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y. For...


US Patent US9611229 (2017)

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


()
BDBM50077894
PNG
(CHEMBL3417070 | US9611229, 41)
Show SMILES Fc1ccc(Cn2cc(NCCN3CCC(F)(F)CC3)nn2)cc1
Show InChI InChI=1S/C16H20F3N5/c17-14-3-1-13(2-4-14)11-24-12-15(21-22-24)20-7-10-23-8-5-16(18,19)6-9-23/h1-4,12,20H,5-11H2
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105n/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 61-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y. For...


US Patent US9611229 (2017)

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


()
BDBM50077872
PNG
(CHEMBL3417081 | US9611229, 64)
Show SMILES CCN(CCN1CCOCC1)c1cn(nn1)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C20H33N5O/c1-2-24(4-3-23-5-7-26-8-6-23)19-15-25(22-21-19)20-12-16-9-17(13-20)11-18(10-16)14-20/h15-18H,2-14H2,1H3
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111n/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 61-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y. For...


US Patent US9611229 (2017)

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


()
BDBM314380
PNG
(N-(2-(4- cyclohexylpiperazin- 1-yl)ethyl)-1-(4- fl...)
Show SMILES Fc1ccc(Cn2cc(NCCN3CCN(CC3)C3CCCCC3)nn2)cc1
Show InChI InChI=1S/C21H31FN6/c22-19-8-6-18(7-9-19)16-28-17-21(24-25-28)23-10-11-26-12-14-27(15-13-26)20-4-2-1-3-5-20/h6-9,17,20,23H,1-5,10-16H2
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US Patent
133n/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 61-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y. For...


US Patent US9611229 (2017)

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


()
BDBM50077895
PNG
(CHEMBL3417046 | US9611229, 48)
Show SMILES Fc1ccc(cc1)-n1cc(NCCN2CCCCC2)nn1
Show InChI InChI=1S/C15H20FN5/c16-13-4-6-14(7-5-13)21-12-15(18-19-21)17-8-11-20-9-2-1-3-10-20/h4-7,12,17H,1-3,8-11H2
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144n/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 61-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y. For...


US Patent US9611229 (2017)

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


()
BDBM50077867
PNG
(CHEMBL3417076 | US9611229, 23)
Show SMILES Clc1ccc(cc1Cl)-n1cc(NCCCN2CCOCC2)nn1
Show InChI InChI=1S/C15H19Cl2N5O/c16-13-3-2-12(10-14(13)17)22-11-15(19-20-22)18-4-1-5-21-6-8-23-9-7-21/h2-3,10-11,18H,1,4-9H2
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194n/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 61-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y. For...


US Patent US9611229 (2017)

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


()
BDBM314372
PNG
(1-benzyl-N-(2- (pyrrolidin-1- yl)ethyl)-1H-1,2,3- ...)
Show SMILES C(CN1CCCC1)Nc1cn(Cc2ccccc2)nn1
Show InChI InChI=1S/C15H21N5/c1-2-6-14(7-3-1)12-20-13-15(17-18-20)16-8-11-19-9-4-5-10-19/h1-3,6-7,13,16H,4-5,8-12H2
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US Patent
214n/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 61-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y. For...


US Patent US9611229 (2017)

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


()
BDBM50077870
PNG
(CHEMBL3417079 | US9611229, 65)
Show SMILES CCN(CCN1CCOCC1)c1cn(nn1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H21Cl2N5O/c1-2-22(6-5-21-7-9-24-10-8-21)16-12-23(20-19-16)13-3-4-14(17)15(18)11-13/h3-4,11-12H,2,5-10H2,1H3
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216n/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 61-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y. For...


US Patent US9611229 (2017)

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


()
BDBM50077876
PNG
(CHEMBL3417085 | US9611229, 68)
Show SMILES CCCNC(=S)N(CCN1CCOCC1)c1cn(nn1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C18H24Cl2N6OS/c1-2-5-21-18(28)25(7-6-24-8-10-27-11-9-24)17-13-26(23-22-17)14-3-4-15(19)16(20)12-14/h3-4,12-13H,2,5-11H2,1H3,(H,21,28)
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241n/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 61-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y. For...


US Patent US9611229 (2017)

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


()
BDBM50077896
PNG
(CHEMBL3417048 | US9611229, 50)
Show SMILES Fc1ccc(c(F)c1)-n1cc(NCCN2CCCCC2)nn1
Show InChI InChI=1S/C15H19F2N5/c16-12-4-5-14(13(17)10-12)22-11-15(19-20-22)18-6-9-21-7-2-1-3-8-21/h4-5,10-11,18H,1-3,6-9H2
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273n/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 61-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y. For...


US Patent US9611229 (2017)

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


()
BDBM50077901
PNG
(CHEMBL3417056 | US9611229, 51)
Show SMILES CC(=O)N1CCN(CCNc2cn(nn2)-c2ccc(Cl)c(Cl)c2)CC1
Show InChI InChI=1S/C16H20Cl2N6O/c1-12(25)23-8-6-22(7-9-23)5-4-19-16-11-24(21-20-16)13-2-3-14(17)15(18)10-13/h2-3,10-11,19H,4-9H2,1H3
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275n/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 61-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y. For...


US Patent US9611229 (2017)

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