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13 similar compounds to monomer 50008894

Compile data set for download or QSAR
Wt: 365.3
BDBM50008897
Wt: 368.5
BDBM50008900
Wt: 302.4
BDBM50008890
Wt: 304.4
BDBM50008891
Wt: 320.8
BDBM50008892
Wt: 314.4
BDBM50008893
Wt: 354.4
BDBM50008895
Wt: 354.4
BDBM50007164
Wt: 379.3
BDBM50013984
Wt: 300.4
BDBM50013988
Purchase
Wt: 350.4
BDBM50013953
Wt: 350.4
BDBM50013955
Wt: 327.4
BDBM50021988

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 35 hits for monomerid = 50008897,50008900,50008890,50008891,50008892,50008893,50008895,50007164,50013984,50013988,50013953,50013955,50021988   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50008895
PNG
(1-(2-Pyrrolidin-1-ylmethyl-piperidin-1-yl)-2-(4-tr...)
Show SMILES FC(F)(F)c1ccc(CC(=O)N2CCCCC2CN2CCCC2)cc1
Show InChI InChI=1S/C19H25F3N2O/c20-19(21,22)16-8-6-15(7-9-16)13-18(25)24-12-2-1-5-17(24)14-23-10-3-4-11-23/h6-9,17H,1-5,10-14H2
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0.570n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from kappa opioid receptors in guine pig brain (minus cerebellum).


J Med Chem 34: 397-403 (1991)


Article DOI: 10.1021/jm00105a061
BindingDB Entry DOI: 10.7270/Q23777N1
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50007164
PNG
((S)-1-(2-Pyrrolidin-1-ylmethyl-piperidin-1-yl)-2-(...)
Show SMILES FC(F)(F)c1ccc(CC(=O)N2CCCC[C@H]2CN2CCCC2)cc1
Show InChI InChI=1S/C19H25F3N2O/c20-19(21,22)16-8-6-15(7-9-16)13-18(25)24-12-2-1-5-17(24)14-23-10-3-4-11-23/h6-9,17H,1-5,10-14H2/t17-/m0/s1
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0.640n/an/an/an/an/an/an/an/a



SmithKline Beecham Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Evaluated for the binding affinity at kappa receptor


J Med Chem 37: 3482-91 (1994)


Article DOI: 10.1021/jm00047a006
BindingDB Entry DOI: 10.7270/Q2W37VB6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50007164
PNG
((S)-1-(2-Pyrrolidin-1-ylmethyl-piperidin-1-yl)-2-(...)
Show SMILES FC(F)(F)c1ccc(CC(=O)N2CCCC[C@H]2CN2CCCC2)cc1
Show InChI InChI=1S/C19H25F3N2O/c20-19(21,22)16-8-6-15(7-9-16)13-18(25)24-12-2-1-5-17(24)14-23-10-3-4-11-23/h6-9,17H,1-5,10-14H2/t17-/m0/s1
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0.640n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-BRL 52537 from opioid receptor kappa site in guinea pig


J Med Chem 34: 2624-33 (1991)


Article DOI: 10.1021/jm00112a042
BindingDB Entry DOI: 10.7270/Q2CV4GPX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50008895
PNG
(1-(2-Pyrrolidin-1-ylmethyl-piperidin-1-yl)-2-(4-tr...)
Show SMILES FC(F)(F)c1ccc(CC(=O)N2CCCCC2CN2CCCC2)cc1
Show InChI InChI=1S/C19H25F3N2O/c20-19(21,22)16-8-6-15(7-9-16)13-18(25)24-12-2-1-5-17(24)14-23-10-3-4-11-23/h6-9,17H,1-5,10-14H2
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0.780n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-U-69,593 from kappa opioid receptors in guine pig brain (minus cerebellum).


J Med Chem 34: 397-403 (1991)


Article DOI: 10.1021/jm00105a061
BindingDB Entry DOI: 10.7270/Q23777N1
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50008897
PNG
(2-(4-Bromo-phenyl)-1-(2-pyrrolidin-1-ylmethyl-pipe...)
Show SMILES Brc1ccc(CC(=O)N2CCCCC2CN2CCCC2)cc1
Show InChI InChI=1S/C18H25BrN2O/c19-16-8-6-15(7-9-16)13-18(22)21-12-2-1-5-17(21)14-20-10-3-4-11-20/h6-9,17H,1-5,10-14H2
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0.840n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-U-69,593 from kappa opioid receptors in guine pig brain (minus cerebellum).


J Med Chem 34: 397-403 (1991)


Article DOI: 10.1021/jm00105a061
BindingDB Entry DOI: 10.7270/Q23777N1
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50008892
PNG
(2-(4-Chloro-phenyl)-1-(2-pyrrolidin-1-ylmethyl-pip...)
Show SMILES Clc1ccc(CC(=O)N2CCCCC2CN2CCCC2)cc1
Show InChI InChI=1S/C18H25ClN2O/c19-16-8-6-15(7-9-16)13-18(22)21-12-2-1-5-17(21)14-20-10-3-4-11-20/h6-9,17H,1-5,10-14H2
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1.70n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-U-69,593 from kappa opioid receptors in guine pig brain (minus cerebellum).


J Med Chem 34: 397-403 (1991)


Article DOI: 10.1021/jm00105a061
BindingDB Entry DOI: 10.7270/Q23777N1
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50008893
PNG
(2-(3,4-Dimethyl-phenyl)-1-(2-pyrrolidin-1-ylmethyl...)
Show SMILES Cc1ccc(CC(=O)N2CCCCC2CN2CCCC2)cc1C
Show InChI InChI=1S/C20H30N2O/c1-16-8-9-18(13-17(16)2)14-20(23)22-12-4-3-7-19(22)15-21-10-5-6-11-21/h8-9,13,19H,3-7,10-12,14-15H2,1-2H3
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1.80n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-U-69,593 from kappa opioid receptors in guine pig brain (minus cerebellum).


J Med Chem 34: 397-403 (1991)


Article DOI: 10.1021/jm00105a061
BindingDB Entry DOI: 10.7270/Q23777N1
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)


Article DOI: 10.1021/jm00173a030
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)


Article DOI: 10.1021/jm00173a030
BindingDB Entry DOI: 10.7270/Q2348KZJ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50008891
PNG
(2-(4-Fluoro-phenyl)-1-(2-pyrrolidin-1-ylmethyl-pip...)
Show SMILES Fc1ccc(CC(=O)N2CCCCC2CN2CCCC2)cc1
Show InChI InChI=1S/C18H25FN2O/c19-16-8-6-15(7-9-16)13-18(22)21-12-2-1-5-17(21)14-20-10-3-4-11-20/h6-9,17H,1-5,10-14H2
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15n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-U-69,593 from kappa opioid receptors in guine pig brain (minus cerebellum).


J Med Chem 34: 397-403 (1991)


Article DOI: 10.1021/jm00105a061
BindingDB Entry DOI: 10.7270/Q23777N1
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50008890
PNG
(2-(4-Hydroxy-phenyl)-1-(2-pyrrolidin-1-ylmethyl-pi...)
Show SMILES Oc1ccc(CC(=O)N2CCCCC2CN2CCCC2)cc1
Show InChI InChI=1S/C18H26N2O2/c21-17-8-6-15(7-9-17)13-18(22)20-12-2-1-5-16(20)14-19-10-3-4-11-19/h6-9,16,21H,1-5,10-14H2
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194n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-U-69,593 from kappa opioid receptors in guine pig brain (minus cerebellum).


J Med Chem 34: 397-403 (1991)


Article DOI: 10.1021/jm00105a061
BindingDB Entry DOI: 10.7270/Q23777N1
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50021988
PNG
(CHEMBL3299003)
Show SMILES O=C(Cc1ccccc1)N1CCN[C@@H]2CCC[C@@H]([C@@H]12)N1CCCC1
Show InChI InChI=1S/C20H29N3O/c24-19(15-16-7-2-1-3-8-16)23-14-11-21-17-9-6-10-18(20(17)23)22-12-4-5-13-22/h1-3,7-8,17-18,20-21H,4-6,9-15H2/t17-,18+,20+/m1/s1
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435n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from kappa-opoid receptor in guinea pig brain membrane


Bioorg Med Chem 22: 3316-24 (2014)


Article DOI: 10.1016/j.bmc.2014.04.054
BindingDB Entry DOI: 10.7270/Q2DR2X2R
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50008900
PNG
(2-(4-Cyclohexyl-phenyl)-1-(2-pyrrolidin-1-ylmethyl...)
Show SMILES O=C(Cc1ccc(cc1)C1CCCCC1)N1CCCCC1CN1CCCC1
Show InChI InChI=1S/C24H36N2O/c27-24(26-17-5-4-10-23(26)19-25-15-6-7-16-25)18-20-11-13-22(14-12-20)21-8-2-1-3-9-21/h11-14,21,23H,1-10,15-19H2
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827n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-U-69,593 from kappa opioid receptors in guine pig brain (minus cerebellum).


J Med Chem 34: 397-403 (1991)


Article DOI: 10.1021/jm00105a061
BindingDB Entry DOI: 10.7270/Q23777N1
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50008900
PNG
(2-(4-Cyclohexyl-phenyl)-1-(2-pyrrolidin-1-ylmethyl...)
Show SMILES O=C(Cc1ccc(cc1)C1CCCCC1)N1CCCCC1CN1CCCC1
Show InChI InChI=1S/C24H36N2O/c27-24(26-17-5-4-10-23(26)19-25-15-6-7-16-25)18-20-11-13-22(14-12-20)21-8-2-1-3-9-21/h11-14,21,23H,1-10,15-19H2
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974n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAGO from mu opioid receptors in guinea pig brain (minus cerebellum).


J Med Chem 34: 397-403 (1991)


Article DOI: 10.1021/jm00105a061
BindingDB Entry DOI: 10.7270/Q23777N1
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50007164
PNG
((S)-1-(2-Pyrrolidin-1-ylmethyl-piperidin-1-yl)-2-(...)
Show SMILES FC(F)(F)c1ccc(CC(=O)N2CCCC[C@H]2CN2CCCC2)cc1
Show InChI InChI=1S/C19H25F3N2O/c20-19(21,22)16-8-6-15(7-9-16)13-18(25)24-12-2-1-5-17(24)14-23-10-3-4-11-23/h6-9,17H,1-5,10-14H2/t17-/m0/s1
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1.00E+3n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity of the compound was measured on opioid receptor delta sites.


J Med Chem 34: 2624-33 (1991)


Article DOI: 10.1021/jm00112a042
BindingDB Entry DOI: 10.7270/Q2CV4GPX
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)


Article DOI: 10.1021/jm00173a030
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)


Article DOI: 10.1021/jm00173a030
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)


Article DOI: 10.1021/jm00173a030
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)


Article DOI: 10.1021/jm00173a030
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)


Article DOI: 10.1021/jm00173a030
BindingDB Entry DOI: 10.7270/Q2348KZJ
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50008895
PNG
(1-(2-Pyrrolidin-1-ylmethyl-piperidin-1-yl)-2-(4-tr...)
Show SMILES FC(F)(F)c1ccc(CC(=O)N2CCCCC2CN2CCCC2)cc1
Show InChI InChI=1S/C19H25F3N2O/c20-19(21,22)16-8-6-15(7-9-16)13-18(25)24-12-2-1-5-17(24)14-23-10-3-4-11-23/h6-9,17H,1-5,10-14H2
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2.34E+3n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAGO from mu opioid receptors in guinea pig brain (minus cerebellum).


J Med Chem 34: 397-403 (1991)


Article DOI: 10.1021/jm00105a061
BindingDB Entry DOI: 10.7270/Q23777N1
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50007164
PNG
((S)-1-(2-Pyrrolidin-1-ylmethyl-piperidin-1-yl)-2-(...)
Show SMILES FC(F)(F)c1ccc(CC(=O)N2CCCC[C@H]2CN2CCCC2)cc1
Show InChI InChI=1S/C19H25F3N2O/c20-19(21,22)16-8-6-15(7-9-16)13-18(25)24-12-2-1-5-17(24)14-23-10-3-4-11-23/h6-9,17H,1-5,10-14H2/t17-/m0/s1
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2.34E+3n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Affinity for opioid receptor mu sites


J Med Chem 34: 2624-33 (1991)


Article DOI: 10.1021/jm00112a042
BindingDB Entry DOI: 10.7270/Q2CV4GPX
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50008897
PNG
(2-(4-Bromo-phenyl)-1-(2-pyrrolidin-1-ylmethyl-pipe...)
Show SMILES Brc1ccc(CC(=O)N2CCCCC2CN2CCCC2)cc1
Show InChI InChI=1S/C18H25BrN2O/c19-16-8-6-15(7-9-16)13-18(22)21-12-2-1-5-17(21)14-20-10-3-4-11-20/h6-9,17H,1-5,10-14H2
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PubMed
2.98E+3n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAGO from mu opioid receptors in guinea pig brain (minus cerebellum).


J Med Chem 34: 397-403 (1991)


Article DOI: 10.1021/jm00105a061
BindingDB Entry DOI: 10.7270/Q23777N1
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50008895
PNG
(1-(2-Pyrrolidin-1-ylmethyl-piperidin-1-yl)-2-(4-tr...)
Show SMILES FC(F)(F)c1ccc(CC(=O)N2CCCCC2CN2CCCC2)cc1
Show InChI InChI=1S/C19H25F3N2O/c20-19(21,22)16-8-6-15(7-9-16)13-18(25)24-12-2-1-5-17(24)14-23-10-3-4-11-23/h6-9,17H,1-5,10-14H2
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3.52E+3n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAGO from mu opioid receptors in guinea pig brain (minus cerebellum).


J Med Chem 34: 397-403 (1991)


Article DOI: 10.1021/jm00105a061
BindingDB Entry DOI: 10.7270/Q23777N1
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50008893
PNG
(2-(3,4-Dimethyl-phenyl)-1-(2-pyrrolidin-1-ylmethyl...)
Show SMILES Cc1ccc(CC(=O)N2CCCCC2CN2CCCC2)cc1C
Show InChI InChI=1S/C20H30N2O/c1-16-8-9-18(13-17(16)2)14-20(23)22-12-4-3-7-19(22)15-21-10-5-6-11-21/h8-9,13,19H,3-7,10-12,14-15H2,1-2H3
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PubMed
5.31E+3n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAGO from mu opioid receptors in guinea pig brain (minus cerebellum).


J Med Chem 34: 397-403 (1991)


Article DOI: 10.1021/jm00105a061
BindingDB Entry DOI: 10.7270/Q23777N1
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50008892
PNG
(2-(4-Chloro-phenyl)-1-(2-pyrrolidin-1-ylmethyl-pip...)
Show SMILES Clc1ccc(CC(=O)N2CCCCC2CN2CCCC2)cc1
Show InChI InChI=1S/C18H25ClN2O/c19-16-8-6-15(7-9-16)13-18(22)21-12-2-1-5-17(21)14-20-10-3-4-11-20/h6-9,17H,1-5,10-14H2
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5.91E+3n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAGO from mu opioid receptors in guinea pig brain (minus cerebellum).


J Med Chem 34: 397-403 (1991)


Article DOI: 10.1021/jm00105a061
BindingDB Entry DOI: 10.7270/Q23777N1
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) 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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PubMed
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)


Article DOI: 10.1021/jm00173a030
BindingDB Entry DOI: 10.7270/Q2348KZJ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50008890
PNG
(2-(4-Hydroxy-phenyl)-1-(2-pyrrolidin-1-ylmethyl-pi...)
Show SMILES Oc1ccc(CC(=O)N2CCCCC2CN2CCCC2)cc1
Show InChI InChI=1S/C18H26N2O2/c21-17-8-6-15(7-9-17)13-18(22)20-12-2-1-5-16(20)14-19-10-3-4-11-19/h6-9,16,21H,1-5,10-14H2
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>1.00E+4n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against opioid receptor delta subtype in guinea pig brain (minus cerebellum)using [3H]-DADLE as radio...


J Med Chem 34: 397-403 (1991)


Article DOI: 10.1021/jm00105a061
BindingDB Entry DOI: 10.7270/Q23777N1
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50008890
PNG
(2-(4-Hydroxy-phenyl)-1-(2-pyrrolidin-1-ylmethyl-pi...)
Show SMILES Oc1ccc(CC(=O)N2CCCCC2CN2CCCC2)cc1
Show InChI InChI=1S/C18H26N2O2/c21-17-8-6-15(7-9-17)13-18(22)20-12-2-1-5-16(20)14-19-10-3-4-11-19/h6-9,16,21H,1-5,10-14H2
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>1.00E+4n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAGO from mu opioid receptors in guinea pig brain (minus cerebellum).


J Med Chem 34: 397-403 (1991)


Article DOI: 10.1021/jm00105a061
BindingDB Entry DOI: 10.7270/Q23777N1
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50008891
PNG
(2-(4-Fluoro-phenyl)-1-(2-pyrrolidin-1-ylmethyl-pip...)
Show SMILES Fc1ccc(CC(=O)N2CCCCC2CN2CCCC2)cc1
Show InChI InChI=1S/C18H25FN2O/c19-16-8-6-15(7-9-16)13-18(22)21-12-2-1-5-17(21)14-20-10-3-4-11-20/h6-9,17H,1-5,10-14H2
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>1.00E+4n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAGO from mu opioid receptors in guinea pig brain (minus cerebellum).


J Med Chem 34: 397-403 (1991)


Article DOI: 10.1021/jm00105a061
BindingDB Entry DOI: 10.7270/Q23777N1
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)


Article DOI: 10.1021/jm00173a030
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)


Article DOI: 10.1021/jm00173a030
BindingDB Entry DOI: 10.7270/Q2348KZJ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50021988
PNG
(CHEMBL3299003)
Show SMILES O=C(Cc1ccccc1)N1CCN[C@@H]2CCC[C@@H]([C@@H]12)N1CCCC1
Show InChI InChI=1S/C20H29N3O/c24-19(15-16-7-2-1-3-8-16)23-14-11-21-17-9-6-10-18(20(17)23)22-12-4-5-13-22/h1-3,7-8,17-18,20-21H,4-6,9-15H2/t17-,18+,20+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]-deltorphin 2 from human delta-opioid receptor transfected in CHO-K1 cell by scintillation counting


Bioorg Med Chem 22: 3316-24 (2014)


Article DOI: 10.1016/j.bmc.2014.04.054
BindingDB Entry DOI: 10.7270/Q2DR2X2R
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50021988
PNG
(CHEMBL3299003)
Show SMILES O=C(Cc1ccccc1)N1CCN[C@@H]2CCC[C@@H]([C@@H]12)N1CCCC1
Show InChI InChI=1S/C20H29N3O/c24-19(15-16-7-2-1-3-8-16)23-14-11-21-17-9-6-10-18(20(17)23)22-12-4-5-13-22/h1-3,7-8,17-18,20-21H,4-6,9-15H2/t17-,18+,20+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]-naloxone from human mu-opioid receptor transfected in CHO-K1 cell by scintillation counting


Bioorg Med Chem 22: 3316-24 (2014)


Article DOI: 10.1016/j.bmc.2014.04.054
BindingDB Entry DOI: 10.7270/Q2DR2X2R
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)


Article DOI: 10.1021/jm00173a030
BindingDB Entry DOI: 10.7270/Q2348KZJ
More data for this
Ligand-Target Pair