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Patent code US9604926

Compile Data Set for Download or QSAR

Found 226 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 intracellular receptor 2


(Mus musculus (Mouse))
BDBM312199
PNG
(US9604926, Compound CM-366)
Show SMILES Fc1ccc(cc1)-c1ccc2[nH]c(=O)n(CCCCN3CCN(CC3)C3CCCCC3)c2c1
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0.00600n/an/an/an/an/an/an/an/a



THE UNIVERSITY OF MISSISSIPPI

US Patent


Assay Description
Compounds were evaluated for σ-1 and σ-2 binding in rat brain homogenates. Twelve concentrations of each test ligand (0.001-1,000 nM) were ...


US Patent US9604926 (2017)

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


(Mus musculus (Mouse))
BDBM312198
PNG
(US9604926, Compound CM-365)
Show SMILES Brc1ccc2oc(=O)n(CCCCN3CCN(CC3)C3CCCCC3)c2c1
Show InChI InChI=1S/C21H30BrN3O2/c22-17-8-9-20-19(16-17)25(21(26)27-20)11-5-4-10-23-12-14-24(15-13-23)18-6-2-1-3-7-18/h8-9,16,18H,1-7,10-15H2
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0.0550n/an/an/an/an/an/an/an/a



THE UNIVERSITY OF MISSISSIPPI

US Patent


Assay Description
Compounds were evaluated for σ-1 and σ-2 binding in rat brain homogenates. Twelve concentrations of each test ligand (0.001-1,000 nM) were ...


US Patent US9604926 (2017)

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


(Mus musculus (Mouse))
BDBM50353847
PNG
(CHEMBL1831157 | US9604926, Compound CM-360)
Show SMILES COc1cc2CCN(CCCCn3ccc4ccccc34)Cc2cc1OC
Show InChI InChI=1S/C23H28N2O2/c1-26-22-15-19-9-13-24(17-20(19)16-23(22)27-2)11-5-6-12-25-14-10-18-7-3-4-8-21(18)25/h3-4,7-8,10,14-16H,5-6,9,11-13,17H2,1-2H3
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0.210n/an/an/an/an/an/an/an/a



THE UNIVERSITY OF MISSISSIPPI

US Patent


Assay Description
Compounds were evaluated for σ-1 and σ-2 binding in rat brain homogenates. Twelve concentrations of each test ligand (0.001-1,000 nM) were ...


US Patent US9604926 (2017)

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


(Mus musculus (Mouse))
BDBM312234
PNG
(US9604926, Compound AZ-68)
Show SMILES Fc1ccc2n(CCCCN3CCN(CC3)C3CCCCC3)c(=O)sc2c1
Show InChI InChI=1S/C21H30FN3OS/c22-17-8-9-19-20(16-17)27-21(26)25(19)11-5-4-10-23-12-14-24(15-13-23)18-6-2-1-3-7-18/h8-9,16,18H,1-7,10-15H2
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0.220n/an/an/an/an/an/an/an/a



THE UNIVERSITY OF MISSISSIPPI

US Patent


Assay Description
Compounds were evaluated for σ-1 and σ-2 binding in rat brain homogenates. Twelve concentrations of each test ligand (0.001-1,000 nM) were ...


US Patent US9604926 (2017)

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


()
BDBM312233
PNG
(US9604926, Compound AZ-66)
Show SMILES CC(CCCn1c2ccc(F)cc2sc1=O)N1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C22H32FN3OS/c1-17(24-12-14-25(15-13-24)19-7-3-2-4-8-19)6-5-11-26-20-10-9-18(23)16-21(20)28-22(26)27/h9-10,16-17,19H,2-8,11-15H2,1H3
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0.310n/an/an/an/an/an/an/an/a



THE UNIVERSITY OF MISSISSIPPI

US Patent


Assay Description
Compounds were evaluated for σ-1 and σ-2 binding in rat brain homogenates. Twelve concentrations of each test ligand (0.001-1,000 nM) were ...


US Patent US9604926 (2017)

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


(Mus musculus (Mouse))
BDBM50353844
PNG
(CHEMBL270341 | US9604926, Compound CM-145)
Show SMILES O=c1sc2ccccc2n1CCCCN1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C21H31N3OS/c25-21-24(19-10-4-5-11-20(19)26-21)13-7-6-12-22-14-16-23(17-15-22)18-8-2-1-3-9-18/h4-5,10-11,18H,1-3,6-9,12-17H2
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0.390n/an/an/an/an/an/an/an/a



THE UNIVERSITY OF MISSISSIPPI

US Patent


Assay Description
Compounds were evaluated for σ-1 and σ-2 binding in rat brain homogenates. Twelve concentrations of each test ligand (0.001-1,000 nM) were ...


US Patent US9604926 (2017)

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


(Mus musculus (Mouse))
BDBM50353844
PNG
(CHEMBL270341 | US9604926, Compound CM-145)
Show SMILES O=c1sc2ccccc2n1CCCCN1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C21H31N3OS/c25-21-24(19-10-4-5-11-20(19)26-21)13-7-6-12-22-14-16-23(17-15-22)18-8-2-1-3-9-18/h4-5,10-11,18H,1-3,6-9,12-17H2
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0.390n/an/an/an/an/an/an/an/a



THE UNIVERSITY OF MISSISSIPPI

US Patent


Assay Description
Compounds were evaluated for σ-1 and σ-2 binding in rat brain homogenates. Twelve concentrations of each test ligand (0.001-1,000 nM) were ...


US Patent US9604926 (2017)

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


(Mus musculus (Mouse))
BDBM312202
PNG
(US9604926, Compound CM-397)
Show SMILES Cn1c2ccccc2n(CCCCN2CCN(CC2)c2ccc(F)cc2)c1=O
Show InChI InChI=1S/C22H27FN4O/c1-24-20-6-2-3-7-21(20)27(22(24)28)13-5-4-12-25-14-16-26(17-15-25)19-10-8-18(23)9-11-19/h2-3,6-11H,4-5,12-17H2,1H3
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0.460n/an/an/an/an/an/an/an/a



THE UNIVERSITY OF MISSISSIPPI

US Patent


Assay Description
Compounds were evaluated for σ-1 and σ-2 binding in rat brain homogenates. Twelve concentrations of each test ligand (0.001-1,000 nM) were ...


US Patent US9604926 (2017)

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


(Mus musculus (Mouse))
BDBM312235
PNG
(US9604926, Compound AZ-78)
Show SMILES Fc1ccc2n(CCCCN3CCN(CC3)C3CCCCC3)c(=S)sc2c1
Show InChI InChI=1S/C21H30FN3S2/c22-17-8-9-19-20(16-17)27-21(26)25(19)11-5-4-10-23-12-14-24(15-13-23)18-6-2-1-3-7-18/h8-9,16,18H,1-7,10-15H2
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0.5n/an/an/an/an/an/an/an/a



THE UNIVERSITY OF MISSISSIPPI

US Patent


Assay Description
Compounds were evaluated for σ-1 and σ-2 binding in rat brain homogenates. Twelve concentrations of each test ligand (0.001-1,000 nM) were ...


US Patent US9604926 (2017)

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


(Mus musculus (Mouse))
BDBM50374598
PNG
(CHEMBL272603 | US9604926, Compound CM-156)
Show SMILES S=c1sc2ccccc2n1CCCCN1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C21H31N3S2/c25-21-24(19-10-4-5-11-20(19)26-21)13-7-6-12-22-14-16-23(17-15-22)18-8-2-1-3-9-18/h4-5,10-11,18H,1-3,6-9,12-17H2
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0.550n/an/an/an/an/an/an/an/a



THE UNIVERSITY OF MISSISSIPPI

US Patent


Assay Description
Compounds were evaluated for σ-1 and σ-2 binding in rat brain homogenates. Twelve concentrations of each test ligand (0.001-1,000 nM) were ...


US Patent US9604926 (2017)

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


(Mus musculus (Mouse))
BDBM312185
PNG
(US9604926, Compound CM-308)
Show SMILES COc1cc2CCN(CCCCn3c4ccccc4sc3=S)Cc2cc1OC
Show InChI InChI=1S/C22H26N2O2S2/c1-25-19-13-16-9-12-23(15-17(16)14-20(19)26-2)10-5-6-11-24-18-7-3-4-8-21(18)28-22(24)27/h3-4,7-8,13-14H,5-6,9-12,15H2,1-2H3
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0.560n/an/an/an/an/an/an/an/a



THE UNIVERSITY OF MISSISSIPPI

US Patent


Assay Description
Compounds were evaluated for σ-1 and σ-2 binding in rat brain homogenates. Twelve concentrations of each test ligand (0.001-1,000 nM) were ...


US Patent US9604926 (2017)

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


()
BDBM312168
PNG
(US9604926, Compound CM-172)
Show SMILES O=c1oc2ccccc2n1CCCCN1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C22H26N2O2/c25-22-24(20-10-4-5-11-21(20)26-22)15-7-6-14-23-16-12-19(13-17-23)18-8-2-1-3-9-18/h1-5,8-11,19H,6-7,12-17H2
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0.580n/an/an/an/an/an/an/an/a



THE UNIVERSITY OF MISSISSIPPI

US Patent


Assay Description
Compounds were evaluated for σ-1 and σ-2 binding in rat brain homogenates. Twelve concentrations of each test ligand (0.001-1,000 nM) were ...


US Patent US9604926 (2017)

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


(Mus musculus (Mouse))
BDBM312203
PNG
(US9604926, Compound CM-401)
Show SMILES CC(=O)c1ccc2n(CCCCN3CCC(=CC3)c3ccc(F)cc3)c(=O)oc2c1
Show InChI InChI=1S/C24H25FN2O3/c1-17(28)20-6-9-22-23(16-20)30-24(29)27(22)13-3-2-12-26-14-10-19(11-15-26)18-4-7-21(25)8-5-18/h4-10,16H,2-3,11-15H2,1H3
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0.660n/an/an/an/an/an/an/an/a



THE UNIVERSITY OF MISSISSIPPI

US Patent


Assay Description
Compounds were evaluated for σ-1 and σ-2 binding in rat brain homogenates. Twelve concentrations of each test ligand (0.001-1,000 nM) were ...


US Patent US9604926 (2017)

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


(Mus musculus (Mouse))
BDBM312166
PNG
(US9604926, Compound CM-170)
Show SMILES Fc1ccc(cc1)N1CCN(CCCCn2c3ccccc3oc2=O)CC1
Show InChI InChI=1S/C21H24FN3O2/c22-17-7-9-18(10-8-17)24-15-13-23(14-16-24)11-3-4-12-25-19-5-1-2-6-20(19)27-21(25)26/h1-2,5-10H,3-4,11-16H2
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0.700n/an/an/an/an/an/an/an/a



THE UNIVERSITY OF MISSISSIPPI

US Patent


Assay Description
Compounds were evaluated for σ-1 and σ-2 binding in rat brain homogenates. Twelve concentrations of each test ligand (0.001-1,000 nM) were ...


US Patent US9604926 (2017)

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


(Mus musculus (Mouse))
BDBM50374595
PNG
(CHEMBL272854 | US9604926, Compound CM-372)
Show SMILES S=c1oc2ccccc2n1CCCCN1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C21H31N3OS/c26-21-24(19-10-4-5-11-20(19)25-21)13-7-6-12-22-14-16-23(17-15-22)18-8-2-1-3-9-18/h4-5,10-11,18H,1-3,6-9,12-17H2
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0.770n/an/an/an/an/an/an/an/a



THE UNIVERSITY OF MISSISSIPPI

US Patent


Assay Description
Compounds were evaluated for σ-1 and σ-2 binding in rat brain homogenates. Twelve concentrations of each test ligand (0.001-1,000 nM) were ...


US Patent US9604926 (2017)

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


()
BDBM312167
PNG
(US9604926, Compound CM-171)
Show SMILES O=c1oc2ccccc2n1CCCCN1CCN(CC2CCCCC2)CC1
Show InChI InChI=1S/C22H33N3O2/c26-22-25(20-10-4-5-11-21(20)27-22)13-7-6-12-23-14-16-24(17-15-23)18-19-8-2-1-3-9-19/h4-5,10-11,19H,1-3,6-9,12-18H2
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0.940n/an/an/an/an/an/an/an/a



THE UNIVERSITY OF MISSISSIPPI

US Patent


Assay Description
Compounds were evaluated for σ-1 and σ-2 binding in rat brain homogenates. Twelve concentrations of each test ligand (0.001-1,000 nM) were ...


US Patent US9604926 (2017)

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


(Mus musculus (Mouse))
BDBM312231
PNG
(US9604926, Compound AZ-59)
Show SMILES CC(CCCn1c2ccccc2sc1=S)N1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C22H33N3S2/c1-18(23-14-16-24(17-15-23)19-9-3-2-4-10-19)8-7-13-25-20-11-5-6-12-21(20)27-22(25)26/h5-6,11-12,18-19H,2-4,7-10,13-17H2,1H3
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0.990n/an/an/an/an/an/an/an/a



THE UNIVERSITY OF MISSISSIPPI

US Patent


Assay Description
Compounds were evaluated for σ-1 and σ-2 binding in rat brain homogenates. Twelve concentrations of each test ligand (0.001-1,000 nM) were ...


US Patent US9604926 (2017)

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


(Mus musculus (Mouse))
BDBM50353846
PNG
(CHEMBL1831156 | US9604926, Compound CM-338)
Show SMILES Fc1ccc(cc1)N1CCN(CCCCn2ccc3ccccc23)CC1
Show InChI InChI=1S/C22H26FN3/c23-20-7-9-21(10-8-20)25-17-15-24(16-18-25)12-3-4-13-26-14-11-19-5-1-2-6-22(19)26/h1-2,5-11,14H,3-4,12-13,15-18H2
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1.09n/an/an/an/an/an/an/an/a



THE UNIVERSITY OF MISSISSIPPI

US Patent


Assay Description
Compounds were evaluated for σ-1 and σ-2 binding in rat brain homogenates. Twelve concentrations of each test ligand (0.001-1,000 nM) were ...


US Patent US9604926 (2017)

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


(Mus musculus (Mouse))
BDBM312194
PNG
(US9604926, Compound CM-356)
Show SMILES CC(=O)c1ccc2[nH]c(=O)n(CCCCN3CCN(CC3)c3ccc(F)cc3)c2c1
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1.21n/an/an/an/an/an/an/an/a



THE UNIVERSITY OF MISSISSIPPI

US Patent


Assay Description
Compounds were evaluated for σ-1 and σ-2 binding in rat brain homogenates. Twelve concentrations of each test ligand (0.001-1,000 nM) were ...


US Patent US9604926 (2017)

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


()
BDBM50374598
PNG
(CHEMBL272603 | US9604926, Compound CM-156)
Show SMILES S=c1sc2ccccc2n1CCCCN1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C21H31N3S2/c25-21-24(19-10-4-5-11-20(19)26-21)13-7-6-12-22-14-16-23(17-15-22)18-8-2-1-3-9-18/h4-5,10-11,18H,1-3,6-9,12-17H2
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1.28n/an/an/an/an/an/an/an/a



THE UNIVERSITY OF MISSISSIPPI

US Patent


Assay Description
Compounds were evaluated for σ-1 and σ-2 binding in rat brain homogenates. Twelve concentrations of each test ligand (0.001-1,000 nM) were ...


US Patent US9604926 (2017)

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


()
BDBM312174
PNG
(US9604926, Compound CM-176)
Show SMILES O=c1oc2ccccc2n1CCN1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C21H25N3O2/c25-21-24(19-8-4-5-9-20(19)26-21)17-16-23-14-12-22(13-15-23)11-10-18-6-2-1-3-7-18/h1-9H,10-17H2
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1.43n/an/an/an/an/an/an/an/a



THE UNIVERSITY OF MISSISSIPPI

US Patent


Assay Description
Compounds were evaluated for σ-1 and σ-2 binding in rat brain homogenates. Twelve concentrations of each test ligand (0.001-1,000 nM) were ...


US Patent US9604926 (2017)

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


(Mus musculus (Mouse))
BDBM50374602
PNG
(CHEMBL272608 | US9604926, Compound SN-102)
Show SMILES O=c1sc2ccccc2n1CCCCCCN1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C23H35N3OS/c27-23-26(21-12-6-7-13-22(21)28-23)15-9-2-1-8-14-24-16-18-25(19-17-24)20-10-4-3-5-11-20/h6-7,12-13,20H,1-5,8-11,14-19H2
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1.49n/an/an/an/an/an/an/an/a



THE UNIVERSITY OF MISSISSIPPI

US Patent


Assay Description
Compounds were evaluated for σ-1 and σ-2 binding in rat brain homogenates. Twelve concentrations of each test ligand (0.001-1,000 nM) were ...


US Patent US9604926 (2017)

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


(Mus musculus (Mouse))
BDBM50374602
PNG
(CHEMBL272608 | US9604926, Compound SN-102)
Show SMILES O=c1sc2ccccc2n1CCCCCCN1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C23H35N3OS/c27-23-26(21-12-6-7-13-22(21)28-23)15-9-2-1-8-14-24-16-18-25(19-17-24)20-10-4-3-5-11-20/h6-7,12-13,20H,1-5,8-11,14-19H2
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1.49n/an/an/an/an/an/an/an/a



THE UNIVERSITY OF MISSISSIPPI

US Patent


Assay Description
Compounds were evaluated for σ-1 and σ-2 binding in rat brain homogenates. Twelve concentrations of each test ligand (0.001-1,000 nM) were ...


US Patent US9604926 (2017)

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


(Mus musculus (Mouse))
BDBM312183
PNG
(US9604926, Compound CM-295)
Show SMILES COc1cc2CCN(CCCCn3c4ccccc4oc3=O)Cc2cc1OC
Show InChI InChI=1S/C22H26N2O4/c1-26-20-13-16-9-12-23(15-17(16)14-21(20)27-2)10-5-6-11-24-18-7-3-4-8-19(18)28-22(24)25/h3-4,7-8,13-14H,5-6,9-12,15H2,1-2H3
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1.52n/an/an/an/an/an/an/an/a



THE UNIVERSITY OF MISSISSIPPI

US Patent


Assay Description
Compounds were evaluated for σ-1 and σ-2 binding in rat brain homogenates. Twelve concentrations of each test ligand (0.001-1,000 nM) were ...


US Patent US9604926 (2017)

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


(Mus musculus (Mouse))
BDBM312186
PNG
(US9604926, Compound CM-322)
Show SMILES Fc1ccc(cc1)N1CCN(CCCCn2c3ccccc3n(-c3ccc(F)cc3)c2=O)CC1
Show InChI InChI=1S/C27H28F2N4O/c28-21-7-11-23(12-8-21)31-19-17-30(18-20-31)15-3-4-16-32-25-5-1-2-6-26(25)33(27(32)34)24-13-9-22(29)10-14-24/h1-2,5-14H,3-4,15-20H2
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1.67n/an/an/an/an/an/an/an/a



THE UNIVERSITY OF MISSISSIPPI

US Patent


Assay Description
Compounds were evaluated for σ-1 and σ-2 binding in rat brain homogenates. Twelve concentrations of each test ligand (0.001-1,000 nM) were ...


US Patent US9604926 (2017)

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


(Mus musculus (Mouse))
BDBM312233
PNG
(US9604926, Compound AZ-66)
Show SMILES CC(CCCn1c2ccc(F)cc2sc1=O)N1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C22H32FN3OS/c1-17(24-12-14-25(15-13-24)19-7-3-2-4-8-19)6-5-11-26-20-10-9-18(23)16-21(20)28-22(26)27/h9-10,16-17,19H,2-8,11-15H2,1H3
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1.76n/an/an/an/an/an/an/an/a



THE UNIVERSITY OF MISSISSIPPI

US Patent


Assay Description
Compounds were evaluated for σ-1 and σ-2 binding in rat brain homogenates. Twelve concentrations of each test ligand (0.001-1,000 nM) were ...


US Patent US9604926 (2017)

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


(Mus musculus (Mouse))
BDBM50374597
PNG
(CHEMBL271772 | US9604926, Compound CM-121)
Show SMILES O=c1oc2ccccc2n1CCCCN1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C21H31N3O2/c25-21-24(19-10-4-5-11-20(19)26-21)13-7-6-12-22-14-16-23(17-15-22)18-8-2-1-3-9-18/h4-5,10-11,18H,1-3,6-9,12-17H2
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1.83n/an/an/an/an/an/an/an/a



THE UNIVERSITY OF MISSISSIPPI

US Patent


Assay Description
Compounds were evaluated for σ-1 and σ-2 binding in rat brain homogenates. Twelve concentrations of each test ligand (0.001-1,000 nM) were ...


US Patent US9604926 (2017)

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


(Mus musculus (Mouse))
BDBM50374597
PNG
(CHEMBL271772 | US9604926, Compound CM-121)
Show SMILES O=c1oc2ccccc2n1CCCCN1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C21H31N3O2/c25-21-24(19-10-4-5-11-20(19)26-21)13-7-6-12-22-14-16-23(17-15-22)18-8-2-1-3-9-18/h4-5,10-11,18H,1-3,6-9,12-17H2
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1.83n/an/an/an/an/an/an/an/a



THE UNIVERSITY OF MISSISSIPPI

US Patent


Assay Description
Compounds were evaluated for σ-1 and σ-2 binding in rat brain homogenates. Twelve concentrations of each test ligand (0.001-1,000 nM) were ...


US Patent US9604926 (2017)

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


(Mus musculus (Mouse))
BDBM312213
PNG
(US9604926, Compound CM-625)
Show SMILES CC(=O)c1ccc2n(CCCCN3CCN(CC3)c3ccc(F)cc3)c(=S)oc2c1
Show InChI InChI=1S/C23H26FN3O2S/c1-17(28)18-4-9-21-22(16-18)29-23(30)27(21)11-3-2-10-25-12-14-26(15-13-25)20-7-5-19(24)6-8-20/h4-9,16H,2-3,10-15H2,1H3
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1.88n/an/an/an/an/an/an/an/a



THE UNIVERSITY OF MISSISSIPPI

US Patent


Assay Description
Compounds were evaluated for σ-1 and σ-2 binding in rat brain homogenates. Twelve concentrations of each test ligand (0.001-1,000 nM) were ...


US Patent US9604926 (2017)

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


(Mus musculus (Mouse))
BDBM50353845
PNG
(CHEMBL1830149 | US9604926, Compound CM-341)
Show SMILES C(CCn1ccc2ccccc12)CN1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C22H33N3/c1-2-9-21(10-3-1)24-18-16-23(17-19-24)13-6-7-14-25-15-12-20-8-4-5-11-22(20)25/h4-5,8,11-12,15,21H,1-3,6-7,9-10,13-14,16-19H2
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1.90n/an/an/an/an/an/an/an/a



THE UNIVERSITY OF MISSISSIPPI

US Patent


Assay Description
Compounds were evaluated for σ-1 and σ-2 binding in rat brain homogenates. Twelve concentrations of each test ligand (0.001-1,000 nM) were ...


US Patent US9604926 (2017)

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


(Mus musculus (Mouse))
BDBM312212
PNG
(US9604926, Compound CM-624)
Show SMILES Fc1ccc(N2CCN(CCCCn3c4ccccc4oc3=O)CC2)c(F)c1
Show InChI InChI=1S/C21H23F2N3O2/c22-16-7-8-18(17(23)15-16)25-13-11-24(12-14-25)9-3-4-10-26-19-5-1-2-6-20(19)28-21(26)27/h1-2,5-8,15H,3-4,9-14H2
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1.96n/an/an/an/an/an/an/an/a



THE UNIVERSITY OF MISSISSIPPI

US Patent


Assay Description
Compounds were evaluated for σ-1 and σ-2 binding in rat brain homogenates. Twelve concentrations of each test ligand (0.001-1,000 nM) were ...


US Patent US9604926 (2017)

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


()
BDBM312234
PNG
(US9604926, Compound AZ-68)
Show SMILES Fc1ccc2n(CCCCN3CCN(CC3)C3CCCCC3)c(=O)sc2c1
Show InChI InChI=1S/C21H30FN3OS/c22-17-8-9-19-20(16-17)27-21(26)25(19)11-5-4-10-23-12-14-24(15-13-23)18-6-2-1-3-7-18/h8-9,16,18H,1-7,10-15H2
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2.01n/an/an/an/an/an/an/an/a



THE UNIVERSITY OF MISSISSIPPI

US Patent


Assay Description
Compounds were evaluated for σ-1 and σ-2 binding in rat brain homogenates. Twelve concentrations of each test ligand (0.001-1,000 nM) were ...


US Patent US9604926 (2017)

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


(Mus musculus (Mouse))
BDBM312187
PNG
(US9604926, Compound CM-325)
Show SMILES Fc1ccc(cc1)-n1c2ccccc2n(CCCCN2CCN(CC2)C2CCCCC2)c1=O
Show InChI InChI=1S/C27H35FN4O/c28-22-12-14-24(15-13-22)32-26-11-5-4-10-25(26)31(27(32)33)17-7-6-16-29-18-20-30(21-19-29)23-8-2-1-3-9-23/h4-5,10-15,23H,1-3,6-9,16-21H2
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2.12n/an/an/an/an/an/an/an/a



THE UNIVERSITY OF MISSISSIPPI

US Patent


Assay Description
Compounds were evaluated for σ-1 and σ-2 binding in rat brain homogenates. Twelve concentrations of each test ligand (0.001-1,000 nM) were ...


US Patent US9604926 (2017)

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


()
BDBM312227
PNG
(US9604926, Compound SC-6)
Show SMILES CCCc1ccc2n(CCN3CCN(CC3)C3CCCCC3)c(=O)sc2c1
Show InChI InChI=1S/C22H33N3OS/c1-2-6-18-9-10-20-21(17-18)27-22(26)25(20)16-13-23-11-14-24(15-12-23)19-7-4-3-5-8-19/h9-10,17,19H,2-8,11-16H2,1H3
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2.15n/an/an/an/an/an/an/an/a



THE UNIVERSITY OF MISSISSIPPI

US Patent


Assay Description
Compounds were evaluated for σ-1 and σ-2 binding in rat brain homogenates. Twelve concentrations of each test ligand (0.001-1,000 nM) were ...


US Patent US9604926 (2017)

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


(Mus musculus (Mouse))
BDBM312206
PNG
(US9604926, Compound CM-600)
Show SMILES CC(CCCn1c2ccc(cc2oc1=O)C(C)=O)N1CCN(CC1)c1ccc(F)cc1
Show InChI InChI=1S/C24H28FN3O3/c1-17(26-12-14-27(15-13-26)21-8-6-20(25)7-9-21)4-3-11-28-22-10-5-19(18(2)29)16-23(22)31-24(28)30/h5-10,16-17H,3-4,11-15H2,1-2H3
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2.15n/an/an/an/an/an/an/an/a



THE UNIVERSITY OF MISSISSIPPI

US Patent


Assay Description
Compounds were evaluated for σ-1 and σ-2 binding in rat brain homogenates. Twelve concentrations of each test ligand (0.001-1,000 nM) were ...


US Patent US9604926 (2017)

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


()
BDBM312154
PNG
(US9604926, Compound CM-146)
Show SMILES CCc1ccc2n(CCCCN3CCN(CC3)C3CCCCC3)c(=O)oc2c1
Show InChI InChI=1S/C23H35N3O2/c1-2-19-10-11-21-22(18-19)28-23(27)26(21)13-7-6-12-24-14-16-25(17-15-24)20-8-4-3-5-9-20/h10-11,18,20H,2-9,12-17H2,1H3
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2.18n/an/an/an/an/an/an/an/a



THE UNIVERSITY OF MISSISSIPPI

US Patent


Assay Description
Compounds were evaluated for σ-1 and σ-2 binding in rat brain homogenates. Twelve concentrations of each test ligand (0.001-1,000 nM) were ...


US Patent US9604926 (2017)

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


(Mus musculus (Mouse))
BDBM50374607
PNG
(CHEMBL271975 | US9604926, Compound SN-97)
Show SMILES O=c1sc2ccccc2n1CCN1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C19H27N3OS/c23-19-22(17-8-4-5-9-18(17)24-19)15-12-20-10-13-21(14-11-20)16-6-2-1-3-7-16/h4-5,8-9,16H,1-3,6-7,10-15H2
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2.25n/an/an/an/an/an/an/an/a



THE UNIVERSITY OF MISSISSIPPI

US Patent


Assay Description
Compounds were evaluated for σ-1 and σ-2 binding in rat brain homogenates. Twelve concentrations of each test ligand (0.001-1,000 nM) were ...


US Patent US9604926 (2017)

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


(Mus musculus (Mouse))
BDBM50374607
PNG
(CHEMBL271975 | US9604926, Compound SN-97)
Show SMILES O=c1sc2ccccc2n1CCN1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C19H27N3OS/c23-19-22(17-8-4-5-9-18(17)24-19)15-12-20-10-13-21(14-11-20)16-6-2-1-3-7-16/h4-5,8-9,16H,1-3,6-7,10-15H2
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2.25n/an/an/an/an/an/an/an/a



THE UNIVERSITY OF MISSISSIPPI

US Patent


Assay Description
Compounds were evaluated for σ-1 and σ-2 binding in rat brain homogenates. Twelve concentrations of each test ligand (0.001-1,000 nM) were ...


US Patent US9604926 (2017)

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


()
BDBM312178
PNG
(US9604926, Compound CM-181)
Show SMILES O=c1oc2ccccc2n1CCN1CCN(CC2CCCCC2)CC1
Show InChI InChI=1S/C20H29N3O2/c24-20-23(18-8-4-5-9-19(18)25-20)15-14-21-10-12-22(13-11-21)16-17-6-2-1-3-7-17/h4-5,8-9,17H,1-3,6-7,10-16H2
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2.36n/an/an/an/an/an/an/an/a



THE UNIVERSITY OF MISSISSIPPI

US Patent


Assay Description
Compounds were evaluated for σ-1 and σ-2 binding in rat brain homogenates. Twelve concentrations of each test ligand (0.001-1,000 nM) were ...


US Patent US9604926 (2017)

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


()
BDBM312161
PNG
(US9604926, Compound CM-165)
Show SMILES Clc1ccc(cc1)C1=CCN(CCCCn2c3ccccc3oc2=O)CC1
Show InChI InChI=1S/C22H23ClN2O2/c23-19-9-7-17(8-10-19)18-11-15-24(16-12-18)13-3-4-14-25-20-5-1-2-6-21(20)27-22(25)26/h1-2,5-11H,3-4,12-16H2
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2.40n/an/an/an/an/an/an/an/a



THE UNIVERSITY OF MISSISSIPPI

US Patent


Assay Description
Compounds were evaluated for σ-1 and σ-2 binding in rat brain homogenates. Twelve concentrations of each test ligand (0.001-1,000 nM) were ...


US Patent US9604926 (2017)

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


(Mus musculus (Mouse))
BDBM312227
PNG
(US9604926, Compound SC-6)
Show SMILES CCCc1ccc2n(CCN3CCN(CC3)C3CCCCC3)c(=O)sc2c1
Show InChI InChI=1S/C22H33N3OS/c1-2-6-18-9-10-20-21(17-18)27-22(26)25(20)16-13-23-11-14-24(15-12-23)19-7-4-3-5-8-19/h9-10,17,19H,2-8,11-16H2,1H3
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2.43n/an/an/an/an/an/an/an/a



THE UNIVERSITY OF MISSISSIPPI

US Patent


Assay Description
Compounds were evaluated for σ-1 and σ-2 binding in rat brain homogenates. Twelve concentrations of each test ligand (0.001-1,000 nM) were ...


US Patent US9604926 (2017)

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


(Mus musculus (Mouse))
BDBM50374605
PNG
(CHEMBL273084 | US9604926, Compound SN-99)
Show SMILES O=c1sc2ccccc2n1CCCN1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C20H29N3OS/c24-20-23(18-9-4-5-10-19(18)25-20)12-6-11-21-13-15-22(16-14-21)17-7-2-1-3-8-17/h4-5,9-10,17H,1-3,6-8,11-16H2
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2.44n/an/an/an/an/an/an/an/a



THE UNIVERSITY OF MISSISSIPPI

US Patent


Assay Description
Compounds were evaluated for σ-1 and σ-2 binding in rat brain homogenates. Twelve concentrations of each test ligand (0.001-1,000 nM) were ...


US Patent US9604926 (2017)

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


(Mus musculus (Mouse))
BDBM50374605
PNG
(CHEMBL273084 | US9604926, Compound SN-99)
Show SMILES O=c1sc2ccccc2n1CCCN1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C20H29N3OS/c24-20-23(18-9-4-5-10-19(18)25-20)12-6-11-21-13-15-22(16-14-21)17-7-2-1-3-8-17/h4-5,9-10,17H,1-3,6-8,11-16H2
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2.44n/an/an/an/an/an/an/an/a



THE UNIVERSITY OF MISSISSIPPI

US Patent


Assay Description
Compounds were evaluated for σ-1 and σ-2 binding in rat brain homogenates. Twelve concentrations of each test ligand (0.001-1,000 nM) were ...


US Patent US9604926 (2017)

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


(Mus musculus (Mouse))
BDBM312181
PNG
(US9604926, Compound CM-188)
Show SMILES [O-][N+](=O)c1ccc2n(CCCCN3CCN(CC3)C3CCCCC3)c(=O)oc2c1
Show InChI InChI=1S/C21H30N4O4/c26-21-24(19-9-8-18(25(27)28)16-20(19)29-21)11-5-4-10-22-12-14-23(15-13-22)17-6-2-1-3-7-17/h8-9,16-17H,1-7,10-15H2
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2.46n/an/an/an/an/an/an/an/a



THE UNIVERSITY OF MISSISSIPPI

US Patent


Assay Description
Compounds were evaluated for σ-1 and σ-2 binding in rat brain homogenates. Twelve concentrations of each test ligand (0.001-1,000 nM) were ...


US Patent US9604926 (2017)

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


(Mus musculus (Mouse))
BDBM312154
PNG
(US9604926, Compound CM-146)
Show SMILES CCc1ccc2n(CCCCN3CCN(CC3)C3CCCCC3)c(=O)oc2c1
Show InChI InChI=1S/C23H35N3O2/c1-2-19-10-11-21-22(18-19)28-23(27)26(21)13-7-6-12-24-14-16-25(17-15-24)20-8-4-3-5-9-20/h10-11,18,20H,2-9,12-17H2,1H3
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2.56n/an/an/an/an/an/an/an/a



THE UNIVERSITY OF MISSISSIPPI

US Patent


Assay Description
Compounds were evaluated for σ-1 and σ-2 binding in rat brain homogenates. Twelve concentrations of each test ligand (0.001-1,000 nM) were ...


US Patent US9604926 (2017)

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


(Mus musculus (Mouse))
BDBM312201
PNG
(US9604926, Compound CM-396)
Show SMILES Cn1c2ccccc2n(CCCCN2CCN(CC2)C2CCCCC2)c1=O
Show InChI InChI=1S/C22H34N4O/c1-23-20-11-5-6-12-21(20)26(22(23)27)14-8-7-13-24-15-17-25(18-16-24)19-9-3-2-4-10-19/h5-6,11-12,19H,2-4,7-10,13-18H2,1H3
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2.57n/an/an/an/an/an/an/an/a



THE UNIVERSITY OF MISSISSIPPI

US Patent


Assay Description
Compounds were evaluated for σ-1 and σ-2 binding in rat brain homogenates. Twelve concentrations of each test ligand (0.001-1,000 nM) were ...


US Patent US9604926 (2017)

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


(Mus musculus (Mouse))
BDBM312197
PNG
(US9604926, Compound CM-362)
Show SMILES Fc1ccccc1N1CCN(CCCCn2c3ccccc3oc2=O)CC1
Show InChI InChI=1S/C21H24FN3O2/c22-17-7-1-2-8-18(17)24-15-13-23(14-16-24)11-5-6-12-25-19-9-3-4-10-20(19)27-21(25)26/h1-4,7-10H,5-6,11-16H2
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2.79n/an/an/an/an/an/an/an/a



THE UNIVERSITY OF MISSISSIPPI

US Patent


Assay Description
Compounds were evaluated for σ-1 and σ-2 binding in rat brain homogenates. Twelve concentrations of each test ligand (0.001-1,000 nM) were ...


US Patent US9604926 (2017)

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


()
BDBM312203
PNG
(US9604926, Compound CM-401)
Show SMILES CC(=O)c1ccc2n(CCCCN3CCC(=CC3)c3ccc(F)cc3)c(=O)oc2c1
Show InChI InChI=1S/C24H25FN2O3/c1-17(28)20-6-9-22-23(16-20)30-24(29)27(22)13-3-2-12-26-14-10-19(11-15-26)18-4-7-21(25)8-5-18/h4-10,16H,2-3,11-15H2,1H3
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2.89n/an/an/an/an/an/an/an/a



THE UNIVERSITY OF MISSISSIPPI

US Patent


Assay Description
Compounds were evaluated for σ-1 and σ-2 binding in rat brain homogenates. Twelve concentrations of each test ligand (0.001-1,000 nM) were ...


US Patent US9604926 (2017)

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


(Mus musculus (Mouse))
BDBM50374605
PNG
(CHEMBL273084 | US9604926, Compound SN-99)
Show SMILES O=c1sc2ccccc2n1CCCN1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C20H29N3OS/c24-20-23(18-9-4-5-10-19(18)25-20)12-6-11-21-13-15-22(16-14-21)17-7-2-1-3-8-17/h4-5,9-10,17H,1-3,6-8,11-16H2
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3.05n/an/an/an/an/an/an/an/a



THE UNIVERSITY OF MISSISSIPPI

US Patent


Assay Description
Compounds were evaluated for σ-1 and σ-2 binding in rat brain homogenates. Twelve concentrations of each test ligand (0.001-1,000 nM) were ...


US Patent US9604926 (2017)

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


(Mus musculus (Mouse))
BDBM50374605
PNG
(CHEMBL273084 | US9604926, Compound SN-99)
Show SMILES O=c1sc2ccccc2n1CCCN1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C20H29N3OS/c24-20-23(18-9-4-5-10-19(18)25-20)12-6-11-21-13-15-22(16-14-21)17-7-2-1-3-8-17/h4-5,9-10,17H,1-3,6-8,11-16H2
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3.05n/an/an/an/an/an/an/an/a



THE UNIVERSITY OF MISSISSIPPI

US Patent


Assay Description
Compounds were evaluated for σ-1 and σ-2 binding in rat brain homogenates. Twelve concentrations of each test ligand (0.001-1,000 nM) were ...


US Patent US9604926 (2017)

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