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Compile Data Set for Download or QSAR

Found 58 hits Enz. Inhib. hit(s) with all data for entry = 50035849   
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))
BDBM50003743
PNG
((-)-[2-(3,4-Dichloro-phenyl)-ethyl]-methyl-(2-pyrr...)
Show SMILES CN(CCc1ccc(Cl)c(Cl)c1)[C@H]1CCCC[C@H]1N1CCCC1
Show InChI InChI=1S/C19H28Cl2N2/c1-22(13-10-15-8-9-16(20)17(21)14-15)18-6-2-3-7-19(18)23-11-4-5-12-23/h8-9,14,18-19H,2-7,10-13H2,1H3/t18-,19+/m0/s1
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1.30n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Affinity of compound to Sigma opioid receptor labelled with [3H](+)-3-PPP


J Med Chem 33: 3100-10 (1990)


BindingDB Entry DOI: 10.7270/Q2348KZJ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50003747
PNG
((+)-[2-(3,4-Dichloro-phenyl)-ethyl]-methyl-(2-pyrr...)
Show SMILES CN(CCc1ccc(Cl)c(Cl)c1)[C@@H]1CCCC[C@@H]1N1CCCC1
Show InChI InChI=1S/C19H28Cl2N2/c1-22(13-10-15-8-9-16(20)17(21)14-15)18-6-2-3-7-19(18)23-11-4-5-12-23/h8-9,14,18-19H,2-7,10-13H2,1H3/t18-,19+/m1/s1
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6n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Affinity of compound to Sigma opioid receptor labelled with [3H](+)-3-PPP


J Med Chem 33: 3100-10 (1990)


BindingDB Entry DOI: 10.7270/Q2348KZJ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50013955
PNG
(N-Methyl-2-naphthalen-2-yl-N-(2-pyrrolidin-1-yl-cy...)
Show SMILES CN(C1CCCC[C@@H]1N1CCCC1)C(=O)Cc1ccc2ccccc2c1
Show InChI InChI=1S/C23H30N2O/c1-24(21-10-4-5-11-22(21)25-14-6-7-15-25)23(26)17-18-12-13-19-8-2-3-9-20(19)16-18/h2-3,8-9,12-13,16,21-22H,4-7,10-11,14-15,17H2,1H3/t21?,22-/m0/s1
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8.70n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Affinity of compound to Sigma opioid receptor labelled with [3H](+)-3-PPP


J Med Chem 33: 3100-10 (1990)


BindingDB Entry DOI: 10.7270/Q2348KZJ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50013955
PNG
(N-Methyl-2-naphthalen-2-yl-N-(2-pyrrolidin-1-yl-cy...)
Show SMILES CN(C1CCCC[C@@H]1N1CCCC1)C(=O)Cc1ccc2ccccc2c1
Show InChI InChI=1S/C23H30N2O/c1-24(21-10-4-5-11-22(21)25-14-6-7-15-25)23(26)17-18-12-13-19-8-2-3-9-20(19)16-18/h2-3,8-9,12-13,16,21-22H,4-7,10-11,14-15,17H2,1H3/t21?,22-/m0/s1
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11n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity for sigma opioid receptor using [3H](+)-3-PPP as radioligand


J Med Chem 33: 3100-10 (1990)


BindingDB Entry DOI: 10.7270/Q2348KZJ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50013968
PNG
(2-(2-Amino-4,5-dichloro-phenyl)-N-methyl-N-(2-pyrr...)
Show SMILES CN(C1CCCC[C@@H]1N1CCCC1)C(=O)Cc1cc(Cl)c(Cl)cc1N
Show InChI InChI=1S/C19H27Cl2N3O/c1-23(17-6-2-3-7-18(17)24-8-4-5-9-24)19(25)11-13-10-14(20)15(21)12-16(13)22/h10,12,17-18H,2-9,11,22H2,1H3/t17?,18-/m0/s1
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11n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Affinity of compound towards Opioid receptor kappa 1 was determined in presence of [3H]bremazocine radioligand


J Med Chem 33: 3100-10 (1990)


BindingDB Entry DOI: 10.7270/Q2348KZJ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50013966
PNG
((2-Benzo[1,3]dioxol-5-yl-ethyl)-methyl-(2-pyrrolid...)
Show SMILES CN(CCc1ccc2OCOc2c1)C1CCCC[C@H]1N1CCCC1
Show InChI InChI=1S/C20H30N2O2/c1-21(13-10-16-8-9-19-20(14-16)24-15-23-19)17-6-2-3-7-18(17)22-11-4-5-12-22/h8-9,14,17-18H,2-7,10-13,15H2,1H3/t17?,18-/m1/s1
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31n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Affinity of compound to Sigma opioid receptor labelled with [3H](+)-3-PPP


J Med Chem 33: 3100-10 (1990)


BindingDB Entry DOI: 10.7270/Q2348KZJ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50013966
PNG
((2-Benzo[1,3]dioxol-5-yl-ethyl)-methyl-(2-pyrrolid...)
Show SMILES CN(CCc1ccc2OCOc2c1)C1CCCC[C@H]1N1CCCC1
Show InChI InChI=1S/C20H30N2O2/c1-21(13-10-16-8-9-19-20(14-16)24-15-23-19)17-6-2-3-7-18(17)22-11-4-5-12-22/h8-9,14,17-18H,2-7,10-13,15H2,1H3/t17?,18-/m1/s1
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90n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Affinity of compound towards Opioid receptor kappa 1 was determined in presence of [3H]U-69593. radioligand


J Med Chem 33: 3100-10 (1990)


BindingDB Entry DOI: 10.7270/Q2348KZJ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50013962
PNG
(2-(2H-1,3-benzodioxol-5-yl)-N-methyl-N-[(2R)-2-(py...)
Show SMILES CN(C1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc2OCOc2c1
Show InChI InChI=1S/C20H28N2O3/c1-21(16-6-2-3-7-17(16)22-10-4-5-11-22)20(23)13-15-8-9-18-19(12-15)25-14-24-18/h8-9,12,16-17H,2-7,10-11,13-14H2,1H3/t16?,17-/m1/s1
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456n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Affinity of compound to Sigma opioid receptor labelled with [3H](+)-3-PPP


J Med Chem 33: 3100-10 (1990)


BindingDB Entry DOI: 10.7270/Q2348KZJ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50013968
PNG
(2-(2-Amino-4,5-dichloro-phenyl)-N-methyl-N-(2-pyrr...)
Show SMILES CN(C1CCCC[C@@H]1N1CCCC1)C(=O)Cc1cc(Cl)c(Cl)cc1N
Show InChI InChI=1S/C19H27Cl2N3O/c1-23(17-6-2-3-7-18(17)24-8-4-5-9-24)19(25)11-13-10-14(20)15(21)12-16(13)22/h10,12,17-18H,2-9,11,22H2,1H3/t17?,18-/m0/s1
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523n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Affinity of compound towards Opioid receptor kappa 1 was determined in presence of [3H]bremazocine radioligand


J Med Chem 33: 3100-10 (1990)


BindingDB Entry DOI: 10.7270/Q2348KZJ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50013955
PNG
(N-Methyl-2-naphthalen-2-yl-N-(2-pyrrolidin-1-yl-cy...)
Show SMILES CN(C1CCCC[C@@H]1N1CCCC1)C(=O)Cc1ccc2ccccc2c1
Show InChI InChI=1S/C23H30N2O/c1-24(21-10-4-5-11-22(21)25-14-6-7-15-25)23(26)17-18-12-13-19-8-2-3-9-20(19)16-18/h2-3,8-9,12-13,16,21-22H,4-7,10-11,14-15,17H2,1H3/t21?,22-/m0/s1
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1.37E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Affinity of compound to Sigma opioid receptor labelled with [3H](+)-3-PPP


J Med Chem 33: 3100-10 (1990)


BindingDB Entry DOI: 10.7270/Q2348KZJ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50013955
PNG
(N-Methyl-2-naphthalen-2-yl-N-(2-pyrrolidin-1-yl-cy...)
Show SMILES CN(C1CCCC[C@@H]1N1CCCC1)C(=O)Cc1ccc2ccccc2c1
Show InChI InChI=1S/C23H30N2O/c1-24(21-10-4-5-11-22(21)25-14-6-7-15-25)23(26)17-18-12-13-19-8-2-3-9-20(19)16-18/h2-3,8-9,12-13,16,21-22H,4-7,10-11,14-15,17H2,1H3/t21?,22-/m0/s1
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1.44E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Affinity of compound to Sigma opioid receptor labelled with [3H](+)-3-PPP


J Med Chem 33: 3100-10 (1990)


BindingDB Entry DOI: 10.7270/Q2348KZJ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50013968
PNG
(2-(2-Amino-4,5-dichloro-phenyl)-N-methyl-N-(2-pyrr...)
Show SMILES CN(C1CCCC[C@@H]1N1CCCC1)C(=O)Cc1cc(Cl)c(Cl)cc1N
Show InChI InChI=1S/C19H27Cl2N3O/c1-23(17-6-2-3-7-18(17)24-8-4-5-9-24)19(25)11-13-10-14(20)15(21)12-16(13)22/h10,12,17-18H,2-9,11,22H2,1H3/t17?,18-/m0/s1
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1.54E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Affinity of compound towards Dopamine receptor D2 was determined in presence of [3H](-)-sulpiride radioligand


J Med Chem 33: 3100-10 (1990)


BindingDB Entry DOI: 10.7270/Q2348KZJ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50013955
PNG
(N-Methyl-2-naphthalen-2-yl-N-(2-pyrrolidin-1-yl-cy...)
Show SMILES CN(C1CCCC[C@@H]1N1CCCC1)C(=O)Cc1ccc2ccccc2c1
Show InChI InChI=1S/C23H30N2O/c1-24(21-10-4-5-11-22(21)25-14-6-7-15-25)23(26)17-18-12-13-19-8-2-3-9-20(19)16-18/h2-3,8-9,12-13,16,21-22H,4-7,10-11,14-15,17H2,1H3/t21?,22-/m0/s1
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1.62E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Affinity of compound towards Sigma opioid receptor was determined in presence of [3H](+)-3-PPP radioligand


J Med Chem 33: 3100-10 (1990)


BindingDB Entry DOI: 10.7270/Q2348KZJ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50013955
PNG
(N-Methyl-2-naphthalen-2-yl-N-(2-pyrrolidin-1-yl-cy...)
Show SMILES CN(C1CCCC[C@@H]1N1CCCC1)C(=O)Cc1ccc2ccccc2c1
Show InChI InChI=1S/C23H30N2O/c1-24(21-10-4-5-11-22(21)25-14-6-7-15-25)23(26)17-18-12-13-19-8-2-3-9-20(19)16-18/h2-3,8-9,12-13,16,21-22H,4-7,10-11,14-15,17H2,1H3/t21?,22-/m0/s1
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1.67E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Affinity of compound towards Opioid receptor kappa 1 was determined in presence of [3H]U-69593. radioligand


J Med Chem 33: 3100-10 (1990)


BindingDB Entry DOI: 10.7270/Q2348KZJ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50013955
PNG
(N-Methyl-2-naphthalen-2-yl-N-(2-pyrrolidin-1-yl-cy...)
Show SMILES CN(C1CCCC[C@@H]1N1CCCC1)C(=O)Cc1ccc2ccccc2c1
Show InChI InChI=1S/C23H30N2O/c1-24(21-10-4-5-11-22(21)25-14-6-7-15-25)23(26)17-18-12-13-19-8-2-3-9-20(19)16-18/h2-3,8-9,12-13,16,21-22H,4-7,10-11,14-15,17H2,1H3/t21?,22-/m0/s1
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2.21E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Affinity of compound towards Opioid receptor kappa 1 was determined in presence of [3H]U-69593 radioligand


J Med Chem 33: 3100-10 (1990)


BindingDB Entry DOI: 10.7270/Q2348KZJ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50013962
PNG
(2-(2H-1,3-benzodioxol-5-yl)-N-methyl-N-[(2R)-2-(py...)
Show SMILES CN(C1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc2OCOc2c1
Show InChI InChI=1S/C20H28N2O3/c1-21(16-6-2-3-7-17(16)22-10-4-5-11-22)20(23)13-15-8-9-18-19(12-15)25-14-24-18/h8-9,12,16-17H,2-7,10-11,13-14H2,1H3/t16?,17-/m1/s1
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3.63E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Affinity of compound towards Opioid receptor kappa 1 was determined in presence of [3H]U-69593. radioligand


J Med Chem 33: 3100-10 (1990)


BindingDB Entry DOI: 10.7270/Q2348KZJ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50003747
PNG
((+)-[2-(3,4-Dichloro-phenyl)-ethyl]-methyl-(2-pyrr...)
Show SMILES CN(CCc1ccc(Cl)c(Cl)c1)[C@@H]1CCCC[C@@H]1N1CCCC1
Show InChI InChI=1S/C19H28Cl2N2/c1-22(13-10-15-8-9-16(20)17(21)14-15)18-6-2-3-7-19(18)23-11-4-5-12-23/h8-9,14,18-19H,2-7,10-13H2,1H3/t18-,19+/m1/s1
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3.79E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Affinity of compound towards Opioid receptor kappa 1 was determined in presence of [3H]U-69593. radioligand


J Med Chem 33: 3100-10 (1990)


BindingDB Entry DOI: 10.7270/Q2348KZJ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50013962
PNG
(2-(2H-1,3-benzodioxol-5-yl)-N-methyl-N-[(2R)-2-(py...)
Show SMILES CN(C1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc2OCOc2c1
Show InChI InChI=1S/C20H28N2O3/c1-21(16-6-2-3-7-17(16)22-10-4-5-11-22)20(23)13-15-8-9-18-19(12-15)25-14-24-18/h8-9,12,16-17H,2-7,10-11,13-14H2,1H3/t16?,17-/m1/s1
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6.99E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Affinity of compound towards Opioid receptor kappa 1 labeled with [3H]bremazocine.


J Med Chem 33: 3100-10 (1990)


BindingDB Entry DOI: 10.7270/Q2348KZJ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50013962
PNG
(2-(2H-1,3-benzodioxol-5-yl)-N-methyl-N-[(2R)-2-(py...)
Show SMILES CN(C1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc2OCOc2c1
Show InChI InChI=1S/C20H28N2O3/c1-21(16-6-2-3-7-17(16)22-10-4-5-11-22)20(23)13-15-8-9-18-19(12-15)25-14-24-18/h8-9,12,16-17H,2-7,10-11,13-14H2,1H3/t16?,17-/m1/s1
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7.21E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Affinity of compound towards Opioid receptor kappa 1 labeled with [3H]bremazocine.


J Med Chem 33: 3100-10 (1990)


BindingDB Entry DOI: 10.7270/Q2348KZJ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50013955
PNG
(N-Methyl-2-naphthalen-2-yl-N-(2-pyrrolidin-1-yl-cy...)
Show SMILES CN(C1CCCC[C@@H]1N1CCCC1)C(=O)Cc1ccc2ccccc2c1
Show InChI InChI=1S/C23H30N2O/c1-24(21-10-4-5-11-22(21)25-14-6-7-15-25)23(26)17-18-12-13-19-8-2-3-9-20(19)16-18/h2-3,8-9,12-13,16,21-22H,4-7,10-11,14-15,17H2,1H3/t21?,22-/m0/s1
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7.35E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Affinity of compound towards dopamine-D2 receptor was determined in presence of [3H](-)-sulpiride radioligand


J Med Chem 33: 3100-10 (1990)


BindingDB Entry DOI: 10.7270/Q2348KZJ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50003743
PNG
((-)-[2-(3,4-Dichloro-phenyl)-ethyl]-methyl-(2-pyrr...)
Show SMILES CN(CCc1ccc(Cl)c(Cl)c1)[C@H]1CCCC[C@H]1N1CCCC1
Show InChI InChI=1S/C19H28Cl2N2/c1-22(13-10-15-8-9-16(20)17(21)14-15)18-6-2-3-7-19(18)23-11-4-5-12-23/h8-9,14,18-19H,2-7,10-13H2,1H3/t18-,19+/m0/s1
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n/an/a 2n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Affinity of compound to Sigma opioid receptor labelled with [3H](+)-3-PPP


J Med Chem 33: 3100-10 (1990)


BindingDB Entry DOI: 10.7270/Q2348KZJ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50013968
PNG
(2-(2-Amino-4,5-dichloro-phenyl)-N-methyl-N-(2-pyrr...)
Show SMILES CN(C1CCCC[C@@H]1N1CCCC1)C(=O)Cc1cc(Cl)c(Cl)cc1N
Show InChI InChI=1S/C19H27Cl2N3O/c1-23(17-6-2-3-7-18(17)24-8-4-5-9-24)19(25)11-13-10-14(20)15(21)12-16(13)22/h10,12,17-18H,2-9,11,22H2,1H3/t17?,18-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity for sigma opioid receptor using [3H](+)-3-PPP as radioligand


J Med Chem 33: 3100-10 (1990)


BindingDB Entry DOI: 10.7270/Q2348KZJ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50013971
PNG
(Methyl-(2-naphthalen-2-yl-ethyl)-(2-pyrrolidin-1-y...)
Show SMILES CN(CCc1ccc2ccccc2c1)C1CCCC[C@H]1N1CCCC1
Show InChI InChI=1S/C23H32N2/c1-24(22-10-4-5-11-23(22)25-15-6-7-16-25)17-14-19-12-13-20-8-2-3-9-21(20)18-19/h2-3,8-9,12-13,18,22-23H,4-7,10-11,14-17H2,1H3/t22?,23-/m1/s1
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n/an/a 37n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity for sigma opioid receptor using [3H](+)-3-PPP as radioligand


J Med Chem 33: 3100-10 (1990)


BindingDB Entry DOI: 10.7270/Q2348KZJ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50013986
PNG
(2-(2,3-Dichloro-phenoxy)-N-methyl-N-(2-pyrrolidin-...)
Show SMILES CN(C1CCCC[C@@H]1N1CCCC1)C(=O)COc1cccc(Cl)c1Cl
Show InChI InChI=1S/C19H26Cl2N2O2/c1-22(15-8-2-3-9-16(15)23-11-4-5-12-23)18(24)13-25-17-10-6-7-14(20)19(17)21/h6-7,10,15-16H,2-5,8-9,11-13H2,1H3/t15?,16-/m0/s1
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n/an/a 42n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity for sigma opioid receptor using [3H](+)-3-PPP as radioligand


J Med Chem 33: 3100-10 (1990)


BindingDB Entry DOI: 10.7270/Q2348KZJ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50013961
PNG
(2-(2,4-Dichloro-phenoxy)-N-methyl-N-(2-pyrrolidin-...)
Show SMILES CN(C1CCCC[C@@H]1N1CCCC1)C(=O)COc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C19H26Cl2N2O2/c1-22(16-6-2-3-7-17(16)23-10-4-5-11-23)19(24)13-25-18-9-8-14(20)12-15(18)21/h8-9,12,16-17H,2-7,10-11,13H2,1H3/t16?,17-/m0/s1
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n/an/a 76n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity for sigma opioid receptor using [3H](+)-3-PPP as radioligand


J Med Chem 33: 3100-10 (1990)


BindingDB Entry DOI: 10.7270/Q2348KZJ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50013953
PNG
(N-Methyl-2-naphthalen-1-yl-N-(2-pyrrolidin-1-yl-cy...)
Show SMILES CN(C1CCCC[C@H]1N1CCCC1)C(=O)Cc1cccc2ccccc12
Show InChI InChI=1S/C23H30N2O/c1-24(21-13-4-5-14-22(21)25-15-6-7-16-25)23(26)17-19-11-8-10-18-9-2-3-12-20(18)19/h2-3,8-12,21-22H,4-7,13-17H2,1H3/t21?,22-/m1/s1
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n/an/a 77n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity for sigma opioid receptor using [3H](+)-3-PPP as radioligand


J Med Chem 33: 3100-10 (1990)


BindingDB Entry DOI: 10.7270/Q2348KZJ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50013954
PNG
(2-(3,4-Dichloro-phenoxy)-N-methyl-N-(2-pyrrolidin-...)
Show SMILES CN(C1CCCC[C@@H]1N1CCCC1)C(=O)COc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C19H26Cl2N2O2/c1-22(17-6-2-3-7-18(17)23-10-4-5-11-23)19(24)13-25-14-8-9-15(20)16(21)12-14/h8-9,12,17-18H,2-7,10-11,13H2,1H3/t17?,18-/m0/s1
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n/an/a 110n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity for sigma opioid receptor using [3H](+)-3-PPP as radioligand


J Med Chem 33: 3100-10 (1990)


BindingDB Entry DOI: 10.7270/Q2348KZJ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50013956
PNG
(Methyl-phenethyl-(2-pyrrolidin-1-yl-cyclohexyl)-am...)
Show SMILES CN(CCc1ccccc1)C1CCCC[C@H]1N1CCCC1
Show InChI InChI=1S/C19H30N2/c1-20(16-13-17-9-3-2-4-10-17)18-11-5-6-12-19(18)21-14-7-8-15-21/h2-4,9-10,18-19H,5-8,11-16H2,1H3/t18?,19-/m1/s1
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n/an/a 125n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity for sigma opioid receptor using [3H](+)-3-PPP as radioligand


J Med Chem 33: 3100-10 (1990)


BindingDB Entry DOI: 10.7270/Q2348KZJ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50367953
PNG
(CHEMBL607210)
Show SMILES CN([C@@H]1CCCC[C@@H]1N1CCCC1)C(=O)COc1cc(Cl)c(Cl)cc1Cl
Show InChI InChI=1S/C19H25Cl3N2O2/c1-23(16-6-2-3-7-17(16)24-8-4-5-9-24)19(25)12-26-18-11-14(21)13(20)10-15(18)22/h10-11,16-17H,2-9,12H2,1H3/t16-,17+/m1/s1
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n/an/a 128n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity for sigma opioid receptor using [3H](+)-3-PPP as radioligand


J Med Chem 33: 3100-10 (1990)


BindingDB Entry DOI: 10.7270/Q2348KZJ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50008848
PNG
((+)2-(3,4-Dichloro-phenyl)-N-methyl-N-(2-pyrrolidi...)
Show SMILES CN([C@@H]1CCCC[C@@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C19H26Cl2N2O/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23/h8-9,12,17-18H,2-7,10-11,13H2,1H3/t17-,18+/m1/s1
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n/an/a 194n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity for sigma opioid receptor using [3H](+)-3-PPP as radioligand


J Med Chem 33: 3100-10 (1990)


BindingDB Entry DOI: 10.7270/Q2348KZJ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50013973
PNG
(2-(4-Methoxy-phenyl)-N-methyl-N-(2-pyrrolidin-1-yl...)
Show SMILES COc1ccc(CC(=O)N(C)C2CCCC[C@@H]2N2CCCC2)cc1
Show InChI InChI=1S/C20H30N2O2/c1-21(20(23)15-16-9-11-17(24-2)12-10-16)18-7-3-4-8-19(18)22-13-5-6-14-22/h9-12,18-19H,3-8,13-15H2,1-2H3/t18?,19-/m0/s1
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n/an/a 196n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity for sigma opioid receptor using [3H](+)-3-PPP as radioligand


J Med Chem 33: 3100-10 (1990)


BindingDB Entry DOI: 10.7270/Q2348KZJ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50013979
PNG
(N-Methyl-2-phenylsulfanyl-N-(2-pyrrolidin-1-yl-cyc...)
Show SMILES CN(C1CCCC[C@@H]1N1CCCC1)C(=O)CSc1ccccc1
Show InChI InChI=1S/C19H28N2OS/c1-20(19(22)15-23-16-9-3-2-4-10-16)17-11-5-6-12-18(17)21-13-7-8-14-21/h2-4,9-10,17-18H,5-8,11-15H2,1H3/t17?,18-/m0/s1
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n/an/a 200n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity for sigma opioid receptor using [3H](+)-3-PPP as radioligand


J Med Chem 33: 3100-10 (1990)


BindingDB Entry DOI: 10.7270/Q2348KZJ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50013959
PNG
(2-(2-Methoxy-phenyl)-N-methyl-N-(2-pyrrolidin-1-yl...)
Show SMILES COc1ccccc1CC(=O)N(C)C1CCCC[C@@H]1N1CCCC1
Show InChI InChI=1S/C20H30N2O2/c1-21(20(23)15-16-9-3-6-12-19(16)24-2)17-10-4-5-11-18(17)22-13-7-8-14-22/h3,6,9,12,17-18H,4-5,7-8,10-11,13-15H2,1-2H3/t17?,18-/m0/s1
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n/an/a 208n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity for sigma opioid receptor using [3H](+)-3-PPP as radioligand


J Med Chem 33: 3100-10 (1990)


BindingDB Entry DOI: 10.7270/Q2348KZJ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50013985
PNG
(2-(3-Methoxy-phenyl)-N-methyl-N-(2-pyrrolidin-1-yl...)
Show SMILES COc1cccc(CC(=O)N(C)C2CCCC[C@@H]2N2CCCC2)c1
Show InChI InChI=1S/C20H30N2O2/c1-21(20(23)15-16-8-7-9-17(14-16)24-2)18-10-3-4-11-19(18)22-12-5-6-13-22/h7-9,14,18-19H,3-6,10-13,15H2,1-2H3/t18?,19-/m0/s1
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n/an/a 211n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity for sigma opioid receptor using [3H](+)-3-PPP as radioligand


J Med Chem 33: 3100-10 (1990)


BindingDB Entry DOI: 10.7270/Q2348KZJ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50013981
PNG
(2-(4-Chloro-phenyl)-N-methyl-N-(2-pyrrolidin-1-yl-...)
Show SMILES CN(C1CCCC[C@@H]1N1CCCC1)C(=O)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C19H27ClN2O/c1-21(19(23)14-15-8-10-16(20)11-9-15)17-6-2-3-7-18(17)22-12-4-5-13-22/h8-11,17-18H,2-7,12-14H2,1H3/t17?,18-/m0/s1
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n/an/a 224n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity for sigma opioid receptor using [3H](+)-3-PPP as radioligand


J Med Chem 33: 3100-10 (1990)


BindingDB Entry DOI: 10.7270/Q2348KZJ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50013984
PNG
(2-(4-Bromo-phenyl)-N-methyl-N-(2-pyrrolidin-1-yl-c...)
Show SMILES CN(C1CCCC[C@@H]1N1CCCC1)C(=O)Cc1ccc(Br)cc1
Show InChI InChI=1S/C19H27BrN2O/c1-21(19(23)14-15-8-10-16(20)11-9-15)17-6-2-3-7-18(17)22-12-4-5-13-22/h8-11,17-18H,2-7,12-14H2,1H3/t17?,18-/m0/s1
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n/an/a 228n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity for sigma opioid receptor using [3H](+)-3-PPP as radioligand


J Med Chem 33: 3100-10 (1990)


BindingDB Entry DOI: 10.7270/Q2348KZJ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50367954
PNG
(CHEMBL607450)
Show SMILES CN([C@@H]1CCCC[C@@H]1N1CCCC1)C(=O)Cc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C19H26Cl2N2O/c1-22(19(24)12-14-8-9-15(20)13-16(14)21)17-6-2-3-7-18(17)23-10-4-5-11-23/h8-9,13,17-18H,2-7,10-12H2,1H3/t17-,18+/m1/s1
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n/an/a 278n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity for sigma opioid receptor using [3H](+)-3-PPP as radioligand


J Med Chem 33: 3100-10 (1990)


BindingDB Entry DOI: 10.7270/Q2348KZJ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50013960
PNG
(N-Methyl-N-(2-pyrrolidin-1-yl-cyclohexyl)-2-(3,4,5...)
Show SMILES COc1cc(CC(=O)N(C)C2CCCC[C@@H]2N2CCCC2)cc(OC)c1OC
Show InChI InChI=1S/C22H34N2O4/c1-23(17-9-5-6-10-18(17)24-11-7-8-12-24)21(25)15-16-13-19(26-2)22(28-4)20(14-16)27-3/h13-14,17-18H,5-12,15H2,1-4H3/t17?,18-/m0/s1
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n/an/a 302n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity for sigma opioid receptor using [3H](+)-3-PPP as radioligand


J Med Chem 33: 3100-10 (1990)


BindingDB Entry DOI: 10.7270/Q2348KZJ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50013982
PNG
(4-(2,4-Dichloro-phenoxy)-N-methyl-N-(2-pyrrolidin-...)
Show SMILES CN(C1CCCC[C@H]1N1CCCC1)C(=O)CCCOc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C21H30Cl2N2O2/c1-24(18-7-2-3-8-19(18)25-12-4-5-13-25)21(26)9-6-14-27-20-11-10-16(22)15-17(20)23/h10-11,15,18-19H,2-9,12-14H2,1H3/t18?,19-/m1/s1
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n/an/a 418n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity for sigma opioid receptor using [3H](+)-3-PPP as radioligand


J Med Chem 33: 3100-10 (1990)


BindingDB Entry DOI: 10.7270/Q2348KZJ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50013965
PNG
(2-(2-Chloro-phenyl)-N-methyl-N-(2-pyrrolidin-1-yl-...)
Show SMILES CN(C1CCCC[C@@H]1N1CCCC1)C(=O)Cc1ccccc1Cl
Show InChI InChI=1S/C19H27ClN2O/c1-21(19(23)14-15-8-2-3-9-16(15)20)17-10-4-5-11-18(17)22-12-6-7-13-22/h2-3,8-9,17-18H,4-7,10-14H2,1H3/t17?,18-/m0/s1
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n/an/a 870n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity for sigma opioid receptor using [3H](+)-3-PPP as radioligand


J Med Chem 33: 3100-10 (1990)


BindingDB Entry DOI: 10.7270/Q2348KZJ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50013989
PNG
(Methyl-(2-pyrrolidin-1-yl-cyclohexyl)-carbamic aci...)
Show SMILES CN(C1CCCC[C@@H]1N1CCCC1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C19H28N2O2/c1-20(19(22)23-15-16-9-3-2-4-10-16)17-11-5-6-12-18(17)21-13-7-8-14-21/h2-4,9-10,17-18H,5-8,11-15H2,1H3/t17?,18-/m0/s1
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n/an/a 928n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity for sigma opioid receptor using [3H](+)-3-PPP as radioligand


J Med Chem 33: 3100-10 (1990)


BindingDB Entry DOI: 10.7270/Q2348KZJ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50013950
PNG
(CHEMBL2374421 | N-Methyl-N-(2-pyrrolidin-1-yl-cycl...)
Show SMILES CN([C@H]1CCCC[C@H]1N1CCCC1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C17H26N2O2S/c1-18(22(20,21)15-9-3-2-4-10-15)16-11-5-6-12-17(16)19-13-7-8-14-19/h2-4,9-10,16-17H,5-8,11-14H2,1H3/t16-,17+/m0/s1
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n/an/a 966n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity for sigma opioid receptor using [3H](+)-3-PPP as radioligand


J Med Chem 33: 3100-10 (1990)


BindingDB Entry DOI: 10.7270/Q2348KZJ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50013988
PNG
(N-Methyl-2-phenyl-N-(2-pyrrolidin-1-yl-cyclohexyl)...)
Show SMILES CN(C1CCCC[C@@H]1N1CCCC1)C(=O)Cc1ccccc1
Show InChI InChI=1S/C19H28N2O/c1-20(19(22)15-16-9-3-2-4-10-16)17-11-5-6-12-18(17)21-13-7-8-14-21/h2-4,9-10,17-18H,5-8,11-15H2,1H3/t17?,18-/m0/s1
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n/an/a 1.16E+3n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity for sigma opioid receptor using [3H](+)-3-PPP as radioligand


J Med Chem 33: 3100-10 (1990)


BindingDB Entry DOI: 10.7270/Q2348KZJ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50013972
PNG
(N-Methyl-2-phenoxy-N-(2-pyrrolidin-1-yl-cyclohexyl...)
Show SMILES CN(C1CCCC[C@@H]1N1CCCC1)C(=O)COc1ccccc1
Show InChI InChI=1S/C19H28N2O2/c1-20(19(22)15-23-16-9-3-2-4-10-16)17-11-5-6-12-18(17)21-13-7-8-14-21/h2-4,9-10,17-18H,5-8,11-15H2,1H3/t17?,18-/m0/s1
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n/an/a 1.25E+3n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity for sigma opioid receptor using [3H](+)-3-PPP as radioligand


J Med Chem 33: 3100-10 (1990)


BindingDB Entry DOI: 10.7270/Q2348KZJ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50013976
PNG
(N-Methyl-3-phenyl-N-(2-pyrrolidin-1-yl-cyclohexyl)...)
Show SMILES CN(C1CCCC[C@@H]1N1CCCC1)C(=O)CCc1ccccc1
Show InChI InChI=1S/C20H30N2O/c1-21(20(23)14-13-17-9-3-2-4-10-17)18-11-5-6-12-19(18)22-15-7-8-16-22/h2-4,9-10,18-19H,5-8,11-16H2,1H3/t18?,19-/m0/s1
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n/an/a 1.34E+3n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity for sigma opioid receptor using [3H](+)-3-PPP as radioligand


J Med Chem 33: 3100-10 (1990)


BindingDB Entry DOI: 10.7270/Q2348KZJ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50013991
PNG
(2-(2,6-Dichloro-phenyl)-N-methyl-N-(2-pyrrolidin-1...)
Show SMILES CN(C1CCCC[C@@H]1N1CCCC1)C(=O)Cc1c(Cl)cccc1Cl
Show InChI InChI=1S/C19H26Cl2N2O/c1-22(19(24)13-14-15(20)7-6-8-16(14)21)17-9-2-3-10-18(17)23-11-4-5-12-23/h6-8,17-18H,2-5,9-13H2,1H3/t17?,18-/m0/s1
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n/an/a 1.39E+3n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity for sigma opioid receptor using [3H](+)-3-PPP as radioligand


J Med Chem 33: 3100-10 (1990)


BindingDB Entry DOI: 10.7270/Q2348KZJ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50013983
PNG
(N-Methyl-N-(2-pyrrolidin-1-yl-cyclohexyl)-2-thioph...)
Show SMILES CN(C1CCCC[C@H]1N1CCCC1)C(=O)Cc1cccs1
Show InChI InChI=1S/C17H26N2OS/c1-18(17(20)13-14-7-6-12-21-14)15-8-2-3-9-16(15)19-10-4-5-11-19/h6-7,12,15-16H,2-5,8-11,13H2,1H3/t15?,16-/m1/s1
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n/an/a 1.52E+3n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity for sigma opioid receptor using [3H](+)-3-PPP as radioligand


J Med Chem 33: 3100-10 (1990)


BindingDB Entry DOI: 10.7270/Q2348KZJ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50013978
PNG
(N-Methyl-2-(3-nitro-phenyl)-N-(2-pyrrolidin-1-yl-c...)
Show SMILES CN(C1CCCC[C@@H]1N1CCCC1)C(=O)Cc1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C19H27N3O3/c1-20(17-9-2-3-10-18(17)21-11-4-5-12-21)19(23)14-15-7-6-8-16(13-15)22(24)25/h6-8,13,17-18H,2-5,9-12,14H2,1H3/t17?,18-/m0/s1
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n/an/a 1.61E+3n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity for sigma opioid receptor using [3H](+)-3-PPP as radioligand


J Med Chem 33: 3100-10 (1990)


BindingDB Entry DOI: 10.7270/Q2348KZJ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50013951
PNG
(N-Methyl-N-(2-pyrrolidin-1-yl-cyclohexyl)-2-(2H-1l...)
Show SMILES CN(C1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccsc1
Show InChI InChI=1S/C17H26N2OS/c1-18(17(20)12-14-8-11-21-13-14)15-6-2-3-7-16(15)19-9-4-5-10-19/h8,11,13,15-16H,2-7,9-10,12H2,1H3/t15?,16-/m1/s1
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n/an/a 2.10E+3n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity for sigma opioid receptor using [3H](+)-3-PPP as radioligand


J Med Chem 33: 3100-10 (1990)


BindingDB Entry DOI: 10.7270/Q2348KZJ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50013952
PNG
(N-Methyl-2-(4-nitro-phenyl)-N-(2-pyrrolidin-1-yl-c...)
Show SMILES CN(C1CCCC[C@@H]1N1CCCC1)C(=O)Cc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C19H27N3O3/c1-20(17-6-2-3-7-18(17)21-12-4-5-13-21)19(23)14-15-8-10-16(11-9-15)22(24)25/h8-11,17-18H,2-7,12-14H2,1H3/t17?,18-/m0/s1
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n/an/a 2.37E+3n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity for sigma opioid receptor using [3H](+)-3-PPP as radioligand


J Med Chem 33: 3100-10 (1990)


BindingDB Entry DOI: 10.7270/Q2348KZJ
More data for this
Ligand-Target Pair
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