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Compile Data Set for Download or QSAR

Found 34 hits Enz. Inhib. hit(s) with all data for entry = 50034713   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50366263
PNG
(CHEMBL45535)
Show SMILES OC1(CCN(C[C@H]2CN(C(=O)O2)c2ccc(OC(F)(F)F)cc2)CC1)c1ccc2OCOc2c1
Show InChI InChI=1S/C23H23F3N2O6/c24-23(25,26)34-17-4-2-16(3-5-17)28-13-18(33-21(28)29)12-27-9-7-22(30,8-10-27)15-1-6-19-20(11-15)32-14-31-19/h1-6,11,18,30H,7-10,12-14H2/t18-/m0/s1
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1n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against the sigma receptor from guinea pig brain using the radioligand [3H]SKF-10047


Bioorg Med Chem Lett 2: 165-170 (1992)


Article DOI: 10.1016/S0960-894X(01)80443-1
BindingDB Entry DOI: 10.7270/Q28P610P
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50366262
PNG
(CHEMBL417353)
Show SMILES OC1(CCN(C[C@H]2CN(C(=O)O2)c2ccc(OCC3CC3)cc2)CC1)c1ccc2OCOc2c1
Show InChI InChI=1S/C26H30N2O6/c29-25-28(20-4-6-21(7-5-20)31-16-18-1-2-18)15-22(34-25)14-27-11-9-26(30,10-12-27)19-3-8-23-24(13-19)33-17-32-23/h3-8,13,18,22,30H,1-2,9-12,14-17H2/t22-/m0/s1
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2n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against the sigma receptor from guinea pig brain using the radioligand [3H]SKF-10047


Bioorg Med Chem Lett 2: 165-170 (1992)


Article DOI: 10.1016/S0960-894X(01)80443-1
BindingDB Entry DOI: 10.7270/Q28P610P
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50366274
PNG
(CHEMBL47715)
Show SMILES OC1(CCN(C[C@H]2CN(C(=O)O2)c2ccc(Cl)cc2)CC1)c1ccc2OCOc2c1
Show InChI InChI=1S/C22H23ClN2O5/c23-16-2-4-17(5-3-16)25-13-18(30-21(25)26)12-24-9-7-22(27,8-10-24)15-1-6-19-20(11-15)29-14-28-19/h1-6,11,18,27H,7-10,12-14H2/t18-/m0/s1
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3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against the sigma receptor from guinea pig brain using the radioligand [3H]SKF-10047


Bioorg Med Chem Lett 2: 165-170 (1992)


Article DOI: 10.1016/S0960-894X(01)80443-1
BindingDB Entry DOI: 10.7270/Q28P610P
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50366265
PNG
(CHEMBL47774)
Show SMILES OC1(CCN(C[C@H]2CN(C(=O)O2)c2ccccc2)CC1)c1ccc2OCOc2c1
Show InChI InChI=1S/C22H24N2O5/c25-21-24(17-4-2-1-3-5-17)14-18(29-21)13-23-10-8-22(26,9-11-23)16-6-7-19-20(12-16)28-15-27-19/h1-7,12,18,26H,8-11,13-15H2/t18-/m0/s1
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5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against the sigma receptor from guinea pig brain using the radioligand [3H]SKF-10047


Bioorg Med Chem Lett 2: 165-170 (1992)


Article DOI: 10.1016/S0960-894X(01)80443-1
BindingDB Entry DOI: 10.7270/Q28P610P
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50366273
PNG
(CHEMBL417357)
Show SMILES COc1ccc(cc1)N1C[C@H](CN2CCC(O)(CC2)c2ccccc2)OC1=O
Show InChI InChI=1S/C22H26N2O4/c1-27-19-9-7-18(8-10-19)24-16-20(28-21(24)25)15-23-13-11-22(26,12-14-23)17-5-3-2-4-6-17/h2-10,20,26H,11-16H2,1H3/t20-/m0/s1
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7n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against the sigma receptor of guinea pig brain by using [3H]SKF-10047 radioligand


Bioorg Med Chem Lett 2: 165-170 (1992)


Article DOI: 10.1016/S0960-894X(01)80443-1
BindingDB Entry DOI: 10.7270/Q28P610P
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50366269
PNG
(CHEMBL47714)
Show SMILES COc1ccc(cc1)N1C[C@H](CN2CCC(O)(CC2)c2ccc(OC)cc2)OC1=O
Show InChI InChI=1S/C23H28N2O5/c1-28-19-7-3-17(4-8-19)23(27)11-13-24(14-12-23)15-21-16-25(22(26)30-21)18-5-9-20(29-2)10-6-18/h3-10,21,27H,11-16H2,1-2H3/t21-/m0/s1
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12n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against the sigma receptor from guinea pig brain using the radioligand [3H]SKF-10047


Bioorg Med Chem Lett 2: 165-170 (1992)


Article DOI: 10.1016/S0960-894X(01)80443-1
BindingDB Entry DOI: 10.7270/Q28P610P
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50366258
PNG
(CHEMBL44604)
Show SMILES COc1ccc(cc1)N1C[C@H](CN2CCC(O)(CC2)c2ccc(F)cc2)OC1=O
Show InChI InChI=1S/C22H25FN2O4/c1-28-19-8-6-18(7-9-19)25-15-20(29-21(25)26)14-24-12-10-22(27,11-13-24)16-2-4-17(23)5-3-16/h2-9,20,27H,10-15H2,1H3/t20-/m0/s1
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14n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against the sigma receptor of guinea pig brain by using [3H]SKF-10047 radioligand


Bioorg Med Chem Lett 2: 165-170 (1992)


Article DOI: 10.1016/S0960-894X(01)80443-1
BindingDB Entry DOI: 10.7270/Q28P610P
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50366253
PNG
(CHEMBL50771)
Show SMILES CCOc1ccc(cc1)N1C[C@H](CN2CCC(O)(CC2)c2ccc3OCOc3c2)OC1=O
Show InChI InChI=1S/C24H28N2O6/c1-2-29-19-6-4-18(5-7-19)26-15-20(32-23(26)27)14-25-11-9-24(28,10-12-25)17-3-8-21-22(13-17)31-16-30-21/h3-8,13,20,28H,2,9-12,14-16H2,1H3/t20-/m0/s1
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15n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against the sigma receptor from guinea pig brain using the radioligand [3H]SKF-10047


Bioorg Med Chem Lett 2: 165-170 (1992)


Article DOI: 10.1016/S0960-894X(01)80443-1
BindingDB Entry DOI: 10.7270/Q28P610P
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50366275
PNG
(CHEMBL417181)
Show SMILES COc1ccc(cc1)N1C[C@H](CN2CCC(O)(CC2)c2ccc(Cl)c(c2)C(F)(F)F)OC1=O
Show InChI InChI=1S/C23H24ClF3N2O4/c1-32-17-5-3-16(4-6-17)29-14-18(33-21(29)30)13-28-10-8-22(31,9-11-28)15-2-7-20(24)19(12-15)23(25,26)27/h2-7,12,18,31H,8-11,13-14H2,1H3/t18-/m0/s1
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15n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against the sigma receptor from guinea pig brain using the radioligand [3H]SKF-10047


Bioorg Med Chem Lett 2: 165-170 (1992)


Article DOI: 10.1016/S0960-894X(01)80443-1
BindingDB Entry DOI: 10.7270/Q28P610P
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50366254
PNG
(CHEMBL296504)
Show SMILES COc1ccc(cc1)N1C[C@H](CN2CCC(O)(CC2)c2ccc3OC(C)(C)Oc3c2)OC1=O
Show InChI InChI=1S/C25H30N2O6/c1-24(2)32-21-9-4-17(14-22(21)33-24)25(29)10-12-26(13-11-25)15-20-16-27(23(28)31-20)18-5-7-19(30-3)8-6-18/h4-9,14,20,29H,10-13,15-16H2,1-3H3/t20-/m0/s1
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16n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against the sigma receptor from guinea pig brain using the radioligand [3H]SKF-10047


Bioorg Med Chem Lett 2: 165-170 (1992)


Article DOI: 10.1016/S0960-894X(01)80443-1
BindingDB Entry DOI: 10.7270/Q28P610P
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50366277
PNG
(CHEMBL48075)
Show SMILES OC1(CCN(C[C@H]2CN(C(=O)O2)c2ccc(F)cc2)CC1)c1ccc2OCOc2c1
Show InChI InChI=1S/C22H23FN2O5/c23-16-2-4-17(5-3-16)25-13-18(30-21(25)26)12-24-9-7-22(27,8-10-24)15-1-6-19-20(11-15)29-14-28-19/h1-6,11,18,27H,7-10,12-14H2/t18-/m0/s1
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16n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against the sigma receptor from guinea pig brain using the radioligand [3H]SKF-10047


Bioorg Med Chem Lett 2: 165-170 (1992)


Article DOI: 10.1016/S0960-894X(01)80443-1
BindingDB Entry DOI: 10.7270/Q28P610P
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50366260
PNG
(CHEMBL295891)
Show SMILES COc1ccc(cc1)N1C[C@H](CN2CCC(O)(CC2)c2ccc3OCCc3c2)OC1=O
Show InChI InChI=1S/C24H28N2O5/c1-29-20-5-3-19(4-6-20)26-16-21(31-23(26)27)15-25-11-9-24(28,10-12-25)18-2-7-22-17(14-18)8-13-30-22/h2-7,14,21,28H,8-13,15-16H2,1H3/t21-/m0/s1
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17n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against the sigma receptor from guinea pig brain using the radioligand [3H]SKF-10047


Bioorg Med Chem Lett 2: 165-170 (1992)


Article DOI: 10.1016/S0960-894X(01)80443-1
BindingDB Entry DOI: 10.7270/Q28P610P
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50366251
PNG
(CHEMBL46438)
Show SMILES COc1ccc(cc1)N1C[C@H](CN2CCC(O)(CC2)c2ccc(OC)c(OC)c2)OC1=O
Show InChI InChI=1S/C24H30N2O6/c1-29-19-7-5-18(6-8-19)26-16-20(32-23(26)27)15-25-12-10-24(28,11-13-25)17-4-9-21(30-2)22(14-17)31-3/h4-9,14,20,28H,10-13,15-16H2,1-3H3/t20-/m0/s1
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18n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against the sigma receptor from guinea pig brain using the radioligand [3H]SKF-10047


Bioorg Med Chem Lett 2: 165-170 (1992)


Article DOI: 10.1016/S0960-894X(01)80443-1
BindingDB Entry DOI: 10.7270/Q28P610P
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50366257
PNG
(CHEMBL48124)
Show SMILES COc1ccc(cc1)N1C[C@H](CN2CCC(CC2)c2ccc3OCOc3c2)OC1=O
Show InChI InChI=1S/C23H26N2O5/c1-27-19-5-3-18(4-6-19)25-14-20(30-23(25)26)13-24-10-8-16(9-11-24)17-2-7-21-22(12-17)29-15-28-21/h2-7,12,16,20H,8-11,13-15H2,1H3/t20-/m0/s1
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19n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against the sigma receptor from guinea pig brain using the radioligand [3H]SKF-10047


Bioorg Med Chem Lett 2: 165-170 (1992)


Article DOI: 10.1016/S0960-894X(01)80443-1
BindingDB Entry DOI: 10.7270/Q28P610P
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50366268
PNG
(CHEMBL298492)
Show SMILES COc1ccc(cc1)N1C[C@H](CN2CCC(O)(CC2)c2ccc(C)cc2)OC1=O
Show InChI InChI=1S/C23H28N2O4/c1-17-3-5-18(6-4-17)23(27)11-13-24(14-12-23)15-21-16-25(22(26)29-21)19-7-9-20(28-2)10-8-19/h3-10,21,27H,11-16H2,1-2H3/t21-/m0/s1
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19n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against the sigma receptor from guinea pig brain using the radioligand [3H]SKF-10047


Bioorg Med Chem Lett 2: 165-170 (1992)


Article DOI: 10.1016/S0960-894X(01)80443-1
BindingDB Entry DOI: 10.7270/Q28P610P
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50366267
PNG
(CHEMBL45686 | Panamesine)
Show SMILES COc1ccc(cc1)N1C[C@H](CN2CCC(O)(CC2)c2ccc3OCOc3c2)OC1=O
Show InChI InChI=1S/C23H26N2O6/c1-28-18-5-3-17(4-6-18)25-14-19(31-22(25)26)13-24-10-8-23(27,9-11-24)16-2-7-20-21(12-16)30-15-29-20/h2-7,12,19,27H,8-11,13-15H2,1H3/t19-/m0/s1
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19n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against the sigma receptor from guinea pig brain using the radioligand [3H]SKF-10047


Bioorg Med Chem Lett 2: 165-170 (1992)


Article DOI: 10.1016/S0960-894X(01)80443-1
BindingDB Entry DOI: 10.7270/Q28P610P
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50366276
PNG
(CHEMBL45849)
Show SMILES COc1ccc(cc1)N1C[C@H](CN2CCC(O)(CC2)c2ccc(Cl)cc2)OC1=O
Show InChI InChI=1S/C22H25ClN2O4/c1-28-19-8-6-18(7-9-19)25-15-20(29-21(25)26)14-24-12-10-22(27,11-13-24)16-2-4-17(23)5-3-16/h2-9,20,27H,10-15H2,1H3/t20-/m0/s1
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21n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against the sigma receptor of guinea pig brain by using [3H]SKF-10047 radioligand


Bioorg Med Chem Lett 2: 165-170 (1992)


Article DOI: 10.1016/S0960-894X(01)80443-1
BindingDB Entry DOI: 10.7270/Q28P610P
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50366271
PNG
(CHEMBL45968)
Show SMILES Oc1ccc(cc1)N1C[C@H](CN2CCC(O)(CC2)c2ccc3OCOc3c2)OC1=O
Show InChI InChI=1S/C22H24N2O6/c25-17-4-2-16(3-5-17)24-13-18(30-21(24)26)12-23-9-7-22(27,8-10-23)15-1-6-19-20(11-15)29-14-28-19/h1-6,11,18,25,27H,7-10,12-14H2/t18-/m0/s1
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24n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against the sigma receptor from guinea pig brain using the radioligand [3H]SKF-10047


Bioorg Med Chem Lett 2: 165-170 (1992)


Article DOI: 10.1016/S0960-894X(01)80443-1
BindingDB Entry DOI: 10.7270/Q28P610P
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50366261
PNG
(CHEMBL47678)
Show SMILES COc1ccc(cc1)N1C[C@H](CN2CCC(O)(CC2)c2ccc3OCCOc3c2)OC1=O
Show InChI InChI=1S/C24H28N2O6/c1-29-19-5-3-18(4-6-19)26-16-20(32-23(26)27)15-25-10-8-24(28,9-11-25)17-2-7-21-22(14-17)31-13-12-30-21/h2-7,14,20,28H,8-13,15-16H2,1H3/t20-/m0/s1
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31n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against the sigma receptor from guinea pig brain using the radioligand [3H]SKF-10047


Bioorg Med Chem Lett 2: 165-170 (1992)


Article DOI: 10.1016/S0960-894X(01)80443-1
BindingDB Entry DOI: 10.7270/Q28P610P
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50366255
PNG
(CHEMBL45962)
Show SMILES COc1ccc(cc1)N1C[C@H](CN2CCC(O)(CC2)c2ccsc2)OC1=O
Show InChI InChI=1S/C20H24N2O4S/c1-25-17-4-2-16(3-5-17)22-13-18(26-19(22)23)12-21-9-7-20(24,8-10-21)15-6-11-27-14-15/h2-6,11,14,18,24H,7-10,12-13H2,1H3/t18-/m0/s1
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34n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against the sigma receptor of guinea pig brain by using [3H]SKF-10047 radioligand


Bioorg Med Chem Lett 2: 165-170 (1992)


Article DOI: 10.1016/S0960-894X(01)80443-1
BindingDB Entry DOI: 10.7270/Q28P610P
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50366256
PNG
(CHEMBL297634)
Show SMILES COc1ccc(cc1)N1C[C@@H](CN2CCC(O)(CC2)c2ccccc2)OC1=O
Show InChI InChI=1S/C22H26N2O4/c1-27-19-9-7-18(8-10-19)24-16-20(28-21(24)25)15-23-13-11-22(26,12-14-23)17-5-3-2-4-6-17/h2-10,20,26H,11-16H2,1H3/t20-/m1/s1
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34n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against the sigma receptor from guinea pig brain using the radioligand [3H]SKF-10047


Bioorg Med Chem Lett 2: 165-170 (1992)


Article DOI: 10.1016/S0960-894X(01)80443-1
BindingDB Entry DOI: 10.7270/Q28P610P
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50366264
PNG
(CHEMBL295039)
Show SMILES COc1ccc(cc1)N1C[C@H](CN2CCC(O)(CC2)c2cccs2)OC1=O
Show InChI InChI=1S/C20H24N2O4S/c1-25-16-6-4-15(5-7-16)22-14-17(26-19(22)23)13-21-10-8-20(24,9-11-21)18-3-2-12-27-18/h2-7,12,17,24H,8-11,13-14H2,1H3/t17-/m0/s1
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41n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against the sigma receptor of guinea pig brain by using [3H]SKF-10047 radioligand


Bioorg Med Chem Lett 2: 165-170 (1992)


Article DOI: 10.1016/S0960-894X(01)80443-1
BindingDB Entry DOI: 10.7270/Q28P610P
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50026045
PNG
((R,S)-3-Bromo-N-(1-ethyl-pyrrolidin-2-ylmethyl)-2,...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1OC
Show InChI InChI=1S/C16H23BrN2O3/c1-4-19-9-5-6-11(19)10-18-16(20)14-13(21-2)8-7-12(17)15(14)22-3/h7-8,11H,4-6,9-10H2,1-3H3,(H,18,20)/t11-/m0/s1
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55n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against the sigma receptor from guinea pig brain using the radioligand [3H]SKF-10047


Bioorg Med Chem Lett 2: 165-170 (1992)


Article DOI: 10.1016/S0960-894X(01)80443-1
BindingDB Entry DOI: 10.7270/Q28P610P
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50366270
PNG
(CHEMBL47279)
Show SMILES COc1ccc(cc1)N1C[C@H](CN2CCC(O)(CC2)c2ccc3OC4(CCCC4)Oc3c2)OC1=O
Show InChI InChI=1S/C27H32N2O6/c1-32-21-7-5-20(6-8-21)29-18-22(33-25(29)30)17-28-14-12-26(31,13-15-28)19-4-9-23-24(16-19)35-27(34-23)10-2-3-11-27/h4-9,16,22,31H,2-3,10-15,17-18H2,1H3/t22-/m0/s1
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62n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against the sigma receptor from guinea pig brain using the radioligand [3H]SKF-10047


Bioorg Med Chem Lett 2: 165-170 (1992)


Article DOI: 10.1016/S0960-894X(01)80443-1
BindingDB Entry DOI: 10.7270/Q28P610P
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50002238
PNG
((R)1-(4-Fluoro-phenyl)-4-[4-(5-fluoro-pyrimidin-2-...)
Show SMILES OC(CCCN1CCN(CC1)c1ncc(F)cn1)c1ccc(F)cc1
Show InChI InChI=1S/C18H22F2N4O/c19-15-5-3-14(4-6-15)17(25)2-1-7-23-8-10-24(11-9-23)18-21-12-16(20)13-22-18/h3-6,12-13,17,25H,1-2,7-11H2
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71n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against the sigma receptor from guinea pig brain using the radioligand [3H]SKF-10047


Bioorg Med Chem Lett 2: 165-170 (1992)


Article DOI: 10.1016/S0960-894X(01)80443-1
BindingDB Entry DOI: 10.7270/Q28P610P
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50366250
PNG
(CHEMBL46496)
Show SMILES COc1ccc(cc1)N1C[C@@H](CN2CCC(O)(CC2)c2ccc(OC)cc2)OC1=O
Show InChI InChI=1S/C23H28N2O5/c1-28-19-7-3-17(4-8-19)23(27)11-13-24(14-12-23)15-21-16-25(22(26)30-21)18-5-9-20(29-2)10-6-18/h3-10,21,27H,11-16H2,1-2H3/t21-/m1/s1
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120n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against the sigma receptor from guinea pig brain using the radioligand [3H]SKF-10047


Bioorg Med Chem Lett 2: 165-170 (1992)


Article DOI: 10.1016/S0960-894X(01)80443-1
BindingDB Entry DOI: 10.7270/Q28P610P
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50366272
PNG
(CHEMBL289645)
Show SMILES COc1ccc(cc1)N1C[C@H](CN2CCC(=CC2)c2ccc3OCOc3c2)OC1=O |c:16|
Show InChI InChI=1S/C23H24N2O5/c1-27-19-5-3-18(4-6-19)25-14-20(30-23(25)26)13-24-10-8-16(9-11-24)17-2-7-21-22(12-17)29-15-28-21/h2-8,12,20H,9-11,13-15H2,1H3/t20-/m0/s1
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170n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against the sigma receptor from guinea pig brain using the radioligand [3H]SKF-10047


Bioorg Med Chem Lett 2: 165-170 (1992)


Article DOI: 10.1016/S0960-894X(01)80443-1
BindingDB Entry DOI: 10.7270/Q28P610P
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50366252
PNG
(CHEMBL47834)
Show SMILES CC(=O)Oc1ccc(cc1)N1C[C@H](CN2CCC(O)(CC2)c2ccc3OCOc3c2)OC1=O
Show InChI InChI=1S/C24H26N2O7/c1-16(27)32-19-5-3-18(4-6-19)26-14-20(33-23(26)28)13-25-10-8-24(29,9-11-25)17-2-7-21-22(12-17)31-15-30-21/h2-7,12,20,29H,8-11,13-15H2,1H3/t20-/m0/s1
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250n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against the sigma receptor from guinea pig brain using the radioligand [3H]SKF-10047


Bioorg Med Chem Lett 2: 165-170 (1992)


Article DOI: 10.1016/S0960-894X(01)80443-1
BindingDB Entry DOI: 10.7270/Q28P610P
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50366259
PNG
(CHEMBL46169)
Show SMILES COc1ccc(cc1)N1C[C@@H](CN2CCC(O)(CC2)c2ccc(Cl)cc2)OC1=O
Show InChI InChI=1S/C22H25ClN2O4/c1-28-19-8-6-18(7-9-19)25-15-20(29-21(25)26)14-24-12-10-22(27,11-13-24)16-2-4-17(23)5-3-16/h2-9,20,27H,10-15H2,1H3/t20-/m1/s1
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270n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against the sigma receptor from guinea pig brain using the radioligand [3H]SKF-10047


Bioorg Med Chem Lett 2: 165-170 (1992)


Article DOI: 10.1016/S0960-894X(01)80443-1
BindingDB Entry DOI: 10.7270/Q28P610P
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50366266
PNG
(CHEMBL43783)
Show SMILES COc1ccc(cc1)N1C[C@@H](CN2CCC(O)(CC2)c2ccc(F)cc2)OC1=O
Show InChI InChI=1S/C22H25FN2O4/c1-28-19-8-6-18(7-9-19)25-15-20(29-21(25)26)14-24-12-10-22(27,11-13-24)16-2-4-17(23)5-3-16/h2-9,20,27H,10-15H2,1H3/t20-/m1/s1
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300n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against the sigma receptor from guinea pig brain using the radioligand [3H]SKF-10047


Bioorg Med Chem Lett 2: 165-170 (1992)


Article DOI: 10.1016/S0960-894X(01)80443-1
BindingDB Entry DOI: 10.7270/Q28P610P
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50019742
PNG
(9-(3-((3S,5R)-3,5-dimethylpiperazin-1-yl)propyl)-9...)
Show SMILES C[C@H]1CN(CCCn2c3ccccc3c3ccccc23)C[C@@H](C)N1 |r|
Show InChI InChI=1S/C21H27N3/c1-16-14-23(15-17(2)22-16)12-7-13-24-20-10-5-3-8-18(20)19-9-4-6-11-21(19)24/h3-6,8-11,16-17,22H,7,12-15H2,1-2H3/t16-,17+
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680n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against the sigma receptor from guinea pig brain using the radioligand [3H]SKF-10047


Bioorg Med Chem Lett 2: 165-170 (1992)


Article DOI: 10.1016/S0960-894X(01)80443-1
BindingDB Entry DOI: 10.7270/Q28P610P
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50026045
PNG
((R,S)-3-Bromo-N-(1-ethyl-pyrrolidin-2-ylmethyl)-2,...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1OC
Show InChI InChI=1S/C16H23BrN2O3/c1-4-19-9-5-6-11(19)10-18-16(20)14-13(21-2)8-7-12(17)15(14)22-3/h7-8,11H,4-6,9-10H2,1-3H3,(H,18,20)/t11-/m0/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against the Dopamine receptor D2 in rat striatnrn by using [3H]spiperone radioligand


Bioorg Med Chem Lett 2: 165-170 (1992)


Article DOI: 10.1016/S0960-894X(01)80443-1
BindingDB Entry DOI: 10.7270/Q28P610P
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50002238
PNG
((R)1-(4-Fluoro-phenyl)-4-[4-(5-fluoro-pyrimidin-2-...)
Show SMILES OC(CCCN1CCN(CC1)c1ncc(F)cn1)c1ccc(F)cc1
Show InChI InChI=1S/C18H22F2N4O/c19-15-5-3-14(4-6-15)17(25)2-1-7-23-8-10-24(11-9-23)18-21-12-16(20)13-22-18/h3-6,12-13,17,25H,1-2,7-11H2
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n/an/a 4.90E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against the Dopamine receptor D2 in rat striatum by using [3H]spiperone radioligand


Bioorg Med Chem Lett 2: 165-170 (1992)


Article DOI: 10.1016/S0960-894X(01)80443-1
BindingDB Entry DOI: 10.7270/Q28P610P
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50019742
PNG
(9-(3-((3S,5R)-3,5-dimethylpiperazin-1-yl)propyl)-9...)
Show SMILES C[C@H]1CN(CCCn2c3ccccc3c3ccccc23)C[C@@H](C)N1 |r|
Show InChI InChI=1S/C21H27N3/c1-16-14-23(15-17(2)22-16)12-7-13-24-20-10-5-3-8-18(20)19-9-4-6-11-21(19)24/h3-6,8-11,16-17,22H,7,12-15H2,1-2H3/t16-,17+
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against the Dopamine receptor D2 in rat striatnrn by using [3H]spiperone radioligand


Bioorg Med Chem Lett 2: 165-170 (1992)


Article DOI: 10.1016/S0960-894X(01)80443-1
BindingDB Entry DOI: 10.7270/Q28P610P
More data for this
Ligand-Target Pair