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PubMed code 1846921

Compile data set for download or QSAR
Found 49 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
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50007158
PNG
((S)-2-(3,4-Dichloro-phenyl)-1-(2-pyrrolidin-1-ylme...)
Show SMILES Clc1ccc(CC(=O)N2CCCC[C@H]2CN2CCCC2)cc1Cl
Show InChI InChI=1S/C18H24Cl2N2O/c19-16-7-6-14(11-17(16)20)12-18(23)22-10-2-1-5-15(22)13-21-8-3-4-9-21/h6-7,11,15H,1-5,8-10,12-13H2/t15-/m0/s1
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0.240n/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).


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50008888
PNG
((threo)2-(3,4-Dichloro-phenyl)-1-[2-(1-methyl-pyrr...)
Show SMILES CN1CCCC1C1CCCCN1C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C18H24Cl2N2O/c1-21-9-4-6-16(21)17-5-2-3-10-22(17)18(23)12-13-7-8-14(19)15(20)11-13/h7-8,11,16-17H,2-6,9-10,12H2,1H3
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0.330n/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).


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50000278
PNG
(2-(3,4-Dichloro-phenyl)-1-(2-piperidin-1-ylmethyl-...)
Show SMILES Clc1ccc(CC(=O)N2CCCCC2CN2CCCCC2)cc1Cl
Show InChI InChI=1S/C19H26Cl2N2O/c20-17-8-7-15(12-18(17)21)13-19(24)23-11-5-2-6-16(23)14-22-9-3-1-4-10-22/h7-8,12,16H,1-6,9-11,13-14H2
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0.480n/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 kappa 1 subtype in guinea pig brain (minus cerebellum)using [3H]-U-69,593 as ...


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50000287
PNG
(2-(3,4-Dichloro-phenyl)-1-(2-pyrrolidin-1-ylmethyl...)
Show SMILES Clc1ccc(CC(=O)N2CCCCC2CN2CCCC2)cc1Cl
Show InChI InChI=1S/C18H24Cl2N2O/c19-16-7-6-14(11-17(16)20)12-18(23)22-10-2-1-5-15(22)13-21-8-3-4-9-21/h6-7,11,15H,1-5,8-10,12-13H2
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0.530n/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 kappa 1 subtype in guinea pig brain (minus cerebellum) .using [3H]-U-69,593 a...


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa 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-69,593 from kappa opioid receptors in guine pig brain (minus cerebellum).


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50008889
PNG
((threo)2-(3,4-Dichloro-phenyl)-1-[2-(1-dimethylami...)
Show SMILES CC(C1CCCCN1C(=O)Cc1ccc(Cl)c(Cl)c1)N(C)C
Show InChI InChI=1S/C17H24Cl2N2O/c1-12(20(2)3)16-6-4-5-9-21(16)17(22)11-13-7-8-14(18)15(19)10-13/h7-8,10,12,16H,4-6,9,11H2,1-3H3
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0.600n/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).


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50452995
PNG
(CHEMBL2111856)
Show SMILES CN(C)C[C@@H]1CCCCN1C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H22Cl2N2O/c1-19(2)11-13-5-3-4-8-20(13)16(21)10-12-6-7-14(17)15(18)9-12/h6-7,9,13H,3-5,8,10-11H2,1-2H3/t13-/m0/s1
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0.700n/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).


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa 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).


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50000296
PNG
(CHEMBL441765 | CHEMBL482811 | U-50488H)
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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0.970n/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).


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50008898
PNG
(1-(2-Pyrrolidin-1-ylmethyl-piperidin-1-yl)-2-(3-tr...)
Show SMILES FC(F)(F)c1cccc(CC(=O)N2CCCCC2CN2CCCC2)c1
Show InChI InChI=1S/C19H25F3N2O/c20-19(21,22)16-7-5-6-15(12-16)13-18(25)24-11-2-1-8-17(24)14-23-9-3-4-10-23/h5-7,12,17H,1-4,8-11,13-14H2
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1.10n/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).


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50008899
PNG
(2-(3,4-Dichloro-phenyl)-1-(2-diethylaminomethyl-pi...)
Show SMILES CCN(CC)CC1CCCCN1C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C18H26Cl2N2O/c1-3-21(4-2)13-15-7-5-6-10-22(15)18(23)12-14-8-9-16(19)17(20)11-14/h8-9,11,15H,3-7,10,12-13H2,1-2H3
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1.30n/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).


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50000267
PNG
(2-(3,4-Dichloro-phenyl)-1-(2-dimethylaminomethyl-p...)
Show SMILES CN(C)CC1CCCCN1C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H22Cl2N2O/c1-19(2)11-13-5-3-4-8-20(13)16(21)10-12-6-7-14(17)15(18)9-12/h6-7,9,13H,3-5,8,10-11H2,1-2H3
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1.40n/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 kappa 1 subtype in guinea pig brain (minus cerebellum)using [3H]-U-69,593 as ...


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa 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).


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa 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).


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50000092
PNG
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
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3.30n/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).


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50008894
PNG
(1-(2-Pyrrolidin-1-ylmethyl-piperidin-1-yl)-2-p-tol...)
Show SMILES Cc1ccc(CC(=O)N2CCCCC2CN2CCCC2)cc1
Show InChI InChI=1S/C19H28N2O/c1-16-7-9-17(10-8-16)14-19(22)21-13-3-2-6-18(21)15-20-11-4-5-12-20/h7-10,18H,2-6,11-15H2,1H3
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3.80n/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).


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50008896
PNG
(1-(2-Pyrrolidin-1-ylmethyl-piperidin-1-yl)-2-(2-tr...)
Show SMILES FC(F)(F)c1ccccc1CC(=O)N1CCCCC1CN1CCCC1
Show InChI InChI=1S/C19H25F3N2O/c20-19(21,22)17-9-2-1-7-15(17)13-18(25)24-12-4-3-8-16(24)14-23-10-5-6-11-23/h1-2,7,9,16H,3-6,8,10-14H2
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8.5n/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).


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50452994
PNG
(CHEMBL2111857)
Show SMILES Clc1ccc(CC(=O)N2CCCC[C@@H]2CN2CCCC2)cc1Cl
Show InChI InChI=1S/C18H24Cl2N2O/c19-16-7-6-14(11-17(16)20)12-18(23)22-10-2-1-5-15(22)13-21-8-3-4-9-21/h6-7,11,15H,1-5,8-10,12-13H2/t15-/m1/s1
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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).


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa 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).


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50000092
PNG
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
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151n/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).


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa 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).


Citation and Details
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50000092
PNG
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
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460n/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...


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50000296
PNG
(CHEMBL441765 | CHEMBL482811 | U-50488H)
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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616n/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).


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50008889
PNG
((threo)2-(3,4-Dichloro-phenyl)-1-[2-(1-dimethylami...)
Show SMILES CC(C1CCCCN1C(=O)Cc1ccc(Cl)c(Cl)c1)N(C)C
Show InChI InChI=1S/C17H24Cl2N2O/c1-12(20(2)3)16-6-4-5-9-21(16)17(22)11-13-7-8-14(18)15(19)10-13/h7-8,10,12,16H,4-6,9,11H2,1-3H3
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762n/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).


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa 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).


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50008888
PNG
((threo)2-(3,4-Dichloro-phenyl)-1-[2-(1-methyl-pyrr...)
Show SMILES CN1CCCC1C1CCCCN1C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C18H24Cl2N2O/c1-21-9-4-6-16(21)17-5-2-3-10-22(17)18(23)12-13-7-8-14(19)15(20)11-13/h7-8,11,16-17H,2-6,9-10,12H2,1H3
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864n/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).


Citation and Details
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).


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50007158
PNG
((S)-2-(3,4-Dichloro-phenyl)-1-(2-pyrrolidin-1-ylme...)
Show SMILES Clc1ccc(CC(=O)N2CCCC[C@H]2CN2CCCC2)cc1Cl
Show InChI InChI=1S/C18H24Cl2N2O/c19-16-7-6-14(11-17(16)20)12-18(23)22-10-2-1-5-15(22)13-21-8-3-4-9-21/h6-7,11,15H,1-5,8-10,12-13H2/t15-/m0/s1
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1.56E+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).


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50000287
PNG
(2-(3,4-Dichloro-phenyl)-1-(2-pyrrolidin-1-ylmethyl...)
Show SMILES Clc1ccc(CC(=O)N2CCCCC2CN2CCCC2)cc1Cl
Show InChI InChI=1S/C18H24Cl2N2O/c19-16-7-6-14(11-17(16)20)12-18(23)22-10-2-1-5-15(22)13-21-8-3-4-9-21/h6-7,11,15H,1-5,8-10,12-13H2
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1.86E+3n/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 mu 1 subtype in guinea pig brain (minus cerebellum) using [3H]-DAGO as radiol...


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50452995
PNG
(CHEMBL2111856)
Show SMILES CN(C)C[C@@H]1CCCCN1C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H22Cl2N2O/c1-19(2)11-13-5-3-4-8-20(13)16(21)10-12-6-7-14(17)15(18)9-12/h6-7,9,13H,3-5,8,10-11H2,1-2H3/t13-/m0/s1
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2.16E+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).


Citation and Details
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).


Citation and Details
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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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).


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50000267
PNG
(2-(3,4-Dichloro-phenyl)-1-(2-dimethylaminomethyl-p...)
Show SMILES CN(C)CC1CCCCN1C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H22Cl2N2O/c1-19(2)11-13-5-3-4-8-20(13)16(21)10-12-6-7-14(17)15(18)9-12/h6-7,9,13H,3-5,8,10-11H2,1-2H3
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3.05E+3n/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 mu 1 subtype in guinea pig brain (minus cerebellum) using [3H]-DAGO as radiol...


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50000278
PNG
(2-(3,4-Dichloro-phenyl)-1-(2-piperidin-1-ylmethyl-...)
Show SMILES Clc1ccc(CC(=O)N2CCCCC2CN2CCCCC2)cc1Cl
Show InChI InChI=1S/C19H26Cl2N2O/c20-17-8-7-15(12-18(17)21)13-19(24)23-11-5-2-6-16(23)14-22-9-3-1-4-10-22/h7-8,12,16H,1-6,9-11,13-14H2
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4.81E+3n/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 mu 1 subtype in guinea pig brain (minus cerebellum) using [3H]-DAGO as radiol...


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50008899
PNG
(2-(3,4-Dichloro-phenyl)-1-(2-diethylaminomethyl-pi...)
Show SMILES CCN(CC)CC1CCCCN1C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C18H26Cl2N2O/c1-3-21(4-2)13-15-7-5-6-10-22(15)18(23)12-14-8-9-16(19)17(20)11-14/h8-9,11,15H,3-7,10,12-13H2,1-2H3
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5.00E+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).


Citation and Details
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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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).


Citation and Details
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).


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50452994
PNG
(CHEMBL2111857)
Show SMILES Clc1ccc(CC(=O)N2CCCC[C@@H]2CN2CCCC2)cc1Cl
Show InChI InChI=1S/C18H24Cl2N2O/c19-16-7-6-14(11-17(16)20)12-18(23)22-10-2-1-5-15(22)13-21-8-3-4-9-21/h6-7,11,15H,1-5,8-10,12-13H2/t15-/m1/s1
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7.11E+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).


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50008898
PNG
(1-(2-Pyrrolidin-1-ylmethyl-piperidin-1-yl)-2-(3-tr...)
Show SMILES FC(F)(F)c1cccc(CC(=O)N2CCCCC2CN2CCCC2)c1
Show InChI InChI=1S/C19H25F3N2O/c20-19(21,22)16-7-5-6-15(12-16)13-18(25)24-11-2-1-8-17(24)14-23-9-3-4-10-23/h5-7,12,17H,1-4,8-11,13-14H2
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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).


Citation and Details
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).


Citation and Details
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50000296
PNG
(CHEMBL441765 | CHEMBL482811 | U-50488H)
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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>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...


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50008889
PNG
((threo)2-(3,4-Dichloro-phenyl)-1-[2-(1-dimethylami...)
Show SMILES CC(C1CCCCN1C(=O)Cc1ccc(Cl)c(Cl)c1)N(C)C
Show InChI InChI=1S/C17H24Cl2N2O/c1-12(20(2)3)16-6-4-5-9-21(16)17(22)11-13-7-8-14(18)15(19)10-13/h7-8,10,12,16H,4-6,9,11H2,1-3H3
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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 mu subtype in guinea pig brain (minus cerebellum) using [3H]-DAGO as radiolig...


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50008896
PNG
(1-(2-Pyrrolidin-1-ylmethyl-piperidin-1-yl)-2-(2-tr...)
Show SMILES FC(F)(F)c1ccccc1CC(=O)N1CCCCC1CN1CCCC1
Show InChI InChI=1S/C19H25F3N2O/c20-19(21,22)17-9-2-1-7-15(17)13-18(25)24-12-4-3-8-16(24)14-23-10-5-6-11-23/h1-2,7,9,16H,3-6,8,10-14H2
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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).


Citation and Details
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...


Citation and Details
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).


Citation and Details
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50008889
PNG
((threo)2-(3,4-Dichloro-phenyl)-1-[2-(1-dimethylami...)
Show SMILES CC(C1CCCCN1C(=O)Cc1ccc(Cl)c(Cl)c1)N(C)C
Show InChI InChI=1S/C17H24Cl2N2O/c1-12(20(2)3)16-6-4-5-9-21(16)17(22)11-13-7-8-14(18)15(19)10-13/h7-8,10,12,16H,4-6,9,11H2,1-3H3
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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...


Citation and Details
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50008888
PNG
((threo)2-(3,4-Dichloro-phenyl)-1-[2-(1-methyl-pyrr...)
Show SMILES CN1CCCC1C1CCCCN1C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C18H24Cl2N2O/c1-21-9-4-6-16(21)17-5-2-3-10-22(17)18(23)12-13-7-8-14(19)15(20)11-13/h7-8,11,16-17H,2-6,9-10,12H2,1H3
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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...


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50008894
PNG
(1-(2-Pyrrolidin-1-ylmethyl-piperidin-1-yl)-2-p-tol...)
Show SMILES Cc1ccc(CC(=O)N2CCCCC2CN2CCCC2)cc1
Show InChI InChI=1S/C19H28N2O/c1-16-7-9-17(10-8-16)14-19(22)21-13-3-2-6-18(21)15-20-11-4-5-12-20/h7-10,18H,2-6,11-15H2,1H3
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PubMed
>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).


Citation and Details
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50000287
PNG
(2-(3,4-Dichloro-phenyl)-1-(2-pyrrolidin-1-ylmethyl...)
Show SMILES Clc1ccc(CC(=O)N2CCCCC2CN2CCCC2)cc1Cl
Show InChI InChI=1S/C18H24Cl2N2O/c19-16-7-6-14(11-17(16)20)12-18(23)22-10-2-1-5-15(22)13-21-8-3-4-9-21/h6-7,11,15H,1-5,8-10,12-13H2
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PubMed
>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 1 subtype in guinea pig brain (minus cerebellum)using [3H]-DADLE as rad...


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