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PubMed code 27234885

Compile data set for download or QSAR
Found 31 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
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50142692
PNG
(CHEMBL3759092)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1CCC(=O)Nc1ccccc1)[C@H]2C |r,THB:8:9:26:12.14.13,15:14:26:3.9.2|
Show InChI InChI=1/C23H28N2O2/c1-16-21-14-17-8-9-19(26)15-20(17)23(16,2)11-13-25(21)12-10-22(27)24-18-6-4-3-5-7-18/h3-9,15-16,21,26H,10-14H2,1-2H3,(H,24,27)/t16-,21+,23+/s2
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33n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPN from rat DOR expressed in EE-HEK293 cell membranes by liquid scintillation counting


Bioorg Med Chem 24: 2832-42 (2016)

More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50168141
PNG
(CHEMBL3797228)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1CCC(=O)Nc1cccc3ccccc13)[C@H]2C |r,THB:8:9:30:14.13.12,15:14:30:3.9.2|
Show InChI InChI=1/C27H30N2O2/c1-18-25-16-20-10-11-21(30)17-23(20)27(18,2)13-15-29(25)14-12-26(31)28-24-9-5-7-19-6-3-4-8-22(19)24/h3-11,17-18,25,30H,12-16H2,1-2H3,(H,28,31)/t18-,25+,27+/s2
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38n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPN from rat MOR expressed in EE-HEK293 cell membranes by liquid scintillation counting


Bioorg Med Chem 24: 2832-42 (2016)

More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50142692
PNG
(CHEMBL3759092)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1CCC(=O)Nc1ccccc1)[C@H]2C |r,THB:8:9:26:12.14.13,15:14:26:3.9.2|
Show InChI InChI=1/C23H28N2O2/c1-16-21-14-17-8-9-19(26)15-20(17)23(16,2)11-13-25(21)12-10-22(27)24-18-6-4-3-5-7-18/h3-9,15-16,21,26H,10-14H2,1-2H3,(H,24,27)/t16-,21+,23+/s2
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49n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPN from rat MOR expressed in EE-HEK293 cell membranes by liquid scintillation counting


Bioorg Med Chem 24: 2832-42 (2016)

More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50168140
PNG
(CHEMBL3797702)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1CCC(=O)Nc1cccc3cnccc13)[C@H]2C |r,THB:8:9:30:14.13.12,15:14:30:3.9.2|
Show InChI InChI=1/C26H29N3O2/c1-17-24-14-18-6-7-20(30)15-22(18)26(17,2)10-13-29(24)12-9-25(31)28-23-5-3-4-19-16-27-11-8-21(19)23/h3-8,11,15-17,24,30H,9-10,12-14H2,1-2H3,(H,28,31)/t17-,24+,26+/s2
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50n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPN from rat MOR expressed in EE-HEK293 cell membranes by liquid scintillation counting


Bioorg Med Chem 24: 2832-42 (2016)

More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50168140
PNG
(CHEMBL3797702)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1CCC(=O)Nc1cccc3cnccc13)[C@H]2C |r,THB:8:9:30:14.13.12,15:14:30:3.9.2|
Show InChI InChI=1/C26H29N3O2/c1-17-24-14-18-6-7-20(30)15-22(18)26(17,2)10-13-29(24)12-9-25(31)28-23-5-3-4-19-16-27-11-8-21(19)23/h3-8,11,15-17,24,30H,9-10,12-14H2,1-2H3,(H,28,31)/t17-,24+,26+/s2
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180n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPN from rat DOR expressed in EE-HEK293 cell membranes by liquid scintillation counting


Bioorg Med Chem 24: 2832-42 (2016)

More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50168141
PNG
(CHEMBL3797228)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1CCC(=O)Nc1cccc3ccccc13)[C@H]2C |r,THB:8:9:30:14.13.12,15:14:30:3.9.2|
Show InChI InChI=1/C27H30N2O2/c1-18-25-16-20-10-11-21(30)17-23(20)27(18,2)13-15-29(25)14-12-26(31)28-24-9-5-7-19-6-3-4-8-22(19)24/h3-11,17-18,25,30H,12-16H2,1-2H3,(H,28,31)/t18-,25+,27+/s2
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210n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPN from rat DOR expressed in EE-HEK293 cell membranes by liquid scintillation counting


Bioorg Med Chem 24: 2832-42 (2016)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50168136
PNG
(CHEMBL3798175)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1CCC(=O)Nc1cccc3cccnc13)[C@H]2C |r,THB:8:9:30:14.13.12,15:14:30:3.9.2|
Show InChI InChI=1/C26H29N3O2/c1-17-23-15-19-8-9-20(30)16-21(19)26(17,2)11-14-29(23)13-10-24(31)28-22-7-3-5-18-6-4-12-27-25(18)22/h3-9,12,16-17,23,30H,10-11,13-15H2,1-2H3,(H,28,31)/t17-,23+,26+/s2
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230n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Activity at human KOR expressed in EE-HEK293 cells assessed as pEC50 for effect on (-)U50,488H-induced response (Rvb = 6.2 +/- 0.04 No_unit)


Bioorg Med Chem 24: 2832-42 (2016)

More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50168138
PNG
(CHEMBL3797616)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1CCC(=O)Nc1cccc3ncccc13)[C@H]2C |r,THB:8:9:30:14.13.12,15:14:30:3.9.2|
Show InChI InChI=1/C26H29N3O2/c1-17-24-15-18-8-9-19(30)16-21(18)26(17,2)11-14-29(24)13-10-25(31)28-23-7-3-6-22-20(23)5-4-12-27-22/h3-9,12,16-17,24,30H,10-11,13-15H2,1-2H3,(H,28,31)/t17-,24+,26+/s2
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310n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPN from rat DOR expressed in EE-HEK293 cell membranes by liquid scintillation counting


Bioorg Med Chem 24: 2832-42 (2016)

More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50168137
PNG
(CHEMBL3799570)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1CCC(=O)Nc1ccc3ncccc3c1)[C@H]2C |r,THB:8:9:30:14.13.12,15:14:30:3.9.2|
Show InChI InChI=1/C26H29N3O2/c1-17-24-15-18-5-7-21(30)16-22(18)26(17,2)10-13-29(24)12-9-25(31)28-20-6-8-23-19(14-20)4-3-11-27-23/h3-8,11,14,16-17,24,30H,9-10,12-13,15H2,1-2H3,(H,28,31)/t17-,24+,26+/s2
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330n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPN from rat DOR expressed in EE-HEK293 cell membranes by liquid scintillation counting


Bioorg Med Chem 24: 2832-42 (2016)

More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50168136
PNG
(CHEMBL3798175)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1CCC(=O)Nc1cccc3cccnc13)[C@H]2C |r,THB:8:9:30:14.13.12,15:14:30:3.9.2|
Show InChI InChI=1/C26H29N3O2/c1-17-23-15-19-8-9-20(30)16-21(19)26(17,2)11-14-29(23)13-10-24(31)28-22-7-3-5-18-6-4-12-27-25(18)22/h3-9,12,16-17,23,30H,10-11,13-15H2,1-2H3,(H,28,31)/t17-,23+,26+/s2
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540n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPN from rat DOR expressed in EE-HEK293 cell membranes by liquid scintillation counting


Bioorg Med Chem 24: 2832-42 (2016)

More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50168139
PNG
(CHEMBL3800620)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1CCC(=O)Nc1cnc3ccccc3c1)[C@H]2C |r,THB:8:9:30:14.13.12,15:14:30:3.9.2|
Show InChI InChI=1/C26H29N3O2/c1-17-24-14-18-7-8-21(30)15-22(18)26(17,2)10-12-29(24)11-9-25(31)28-20-13-19-5-3-4-6-23(19)27-16-20/h3-8,13,15-17,24,30H,9-12,14H2,1-2H3,(H,28,31)/t17-,24+,26+/s2
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740n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPN from rat DOR expressed in EE-HEK293 cell membranes by liquid scintillation counting


Bioorg Med Chem 24: 2832-42 (2016)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50168141
PNG
(CHEMBL3797228)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1CCC(=O)Nc1cccc3ccccc13)[C@H]2C |r,THB:8:9:30:14.13.12,15:14:30:3.9.2|
Show InChI InChI=1/C27H30N2O2/c1-18-25-16-20-10-11-21(30)17-23(20)27(18,2)13-15-29(25)14-12-26(31)28-24-9-5-7-19-6-3-4-8-22(19)24/h3-11,17-18,25,30H,12-16H2,1-2H3,(H,28,31)/t18-,25+,27+/s2
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800n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPN from human KOR expressed in EE-HEK293 cell membranes by liquid scintillation counting


Bioorg Med Chem 24: 2832-42 (2016)

More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50168139
PNG
(CHEMBL3800620)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1CCC(=O)Nc1cnc3ccccc3c1)[C@H]2C |r,THB:8:9:30:14.13.12,15:14:30:3.9.2|
Show InChI InChI=1/C26H29N3O2/c1-17-24-14-18-7-8-21(30)15-22(18)26(17,2)10-12-29(24)11-9-25(31)28-20-13-19-5-3-4-6-23(19)27-16-20/h3-8,13,15-17,24,30H,9-12,14H2,1-2H3,(H,28,31)/t17-,24+,26+/s2
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1.19E+3n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPN from rat MOR expressed in EE-HEK293 cell membranes by liquid scintillation counting


Bioorg Med Chem 24: 2832-42 (2016)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50168138
PNG
(CHEMBL3797616)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1CCC(=O)Nc1cccc3ncccc13)[C@H]2C |r,THB:8:9:30:14.13.12,15:14:30:3.9.2|
Show InChI InChI=1/C26H29N3O2/c1-17-24-15-18-8-9-19(30)16-21(18)26(17,2)11-14-29(24)13-10-25(31)28-23-7-3-6-22-20(23)5-4-12-27-22/h3-9,12,16-17,24,30H,10-11,13-15H2,1-2H3,(H,28,31)/t17-,24+,26+/s2
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1.54E+3n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Activity at human KOR expressed in EE-HEK293 cells assessed as pEC50 for effect on (-)U50,488H-induced response (Rvb = 6.2 +/- 0.04 No_unit)


Bioorg Med Chem 24: 2832-42 (2016)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50168140
PNG
(CHEMBL3797702)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1CCC(=O)Nc1cccc3cnccc13)[C@H]2C |r,THB:8:9:30:14.13.12,15:14:30:3.9.2|
Show InChI InChI=1/C26H29N3O2/c1-17-24-14-18-6-7-20(30)15-22(18)26(17,2)10-13-29(24)12-9-25(31)28-23-5-3-4-19-16-27-11-8-21(19)23/h3-8,11,15-17,24,30H,9-10,12-14H2,1-2H3,(H,28,31)/t17-,24+,26+/s2
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2.90E+3n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Activity at human KOR expressed in EE-HEK293 cells assessed as pEC50 for effect on (-)U50,488H-induced response (Rvb = 6.2 +/- 0.04 No_unit)


Bioorg Med Chem 24: 2832-42 (2016)

More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50168138
PNG
(CHEMBL3797616)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1CCC(=O)Nc1cccc3ncccc13)[C@H]2C |r,THB:8:9:30:14.13.12,15:14:30:3.9.2|
Show InChI InChI=1/C26H29N3O2/c1-17-24-15-18-8-9-19(30)16-21(18)26(17,2)11-14-29(24)13-10-25(31)28-23-7-3-6-22-20(23)5-4-12-27-22/h3-9,12,16-17,24,30H,10-11,13-15H2,1-2H3,(H,28,31)/t17-,24+,26+/s2
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3.19E+3n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPN from rat MOR expressed in EE-HEK293 cell membranes by liquid scintillation counting


Bioorg Med Chem 24: 2832-42 (2016)

More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50168136
PNG
(CHEMBL3798175)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1CCC(=O)Nc1cccc3cccnc13)[C@H]2C |r,THB:8:9:30:14.13.12,15:14:30:3.9.2|
Show InChI InChI=1/C26H29N3O2/c1-17-23-15-19-8-9-20(30)16-21(19)26(17,2)11-14-29(23)13-10-24(31)28-22-7-3-5-18-6-4-12-27-25(18)22/h3-9,12,16-17,23,30H,10-11,13-15H2,1-2H3,(H,28,31)/t17-,23+,26+/s2
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3.41E+3n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPN from rat MOR expressed in EE-HEK293 cell membranes by liquid scintillation counting


Bioorg Med Chem 24: 2832-42 (2016)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50168137
PNG
(CHEMBL3799570)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1CCC(=O)Nc1ccc3ncccc3c1)[C@H]2C |r,THB:8:9:30:14.13.12,15:14:30:3.9.2|
Show InChI InChI=1/C26H29N3O2/c1-17-24-15-18-5-7-21(30)16-22(18)26(17,2)10-13-29(24)12-9-25(31)28-20-6-8-23-19(14-20)4-3-11-27-23/h3-8,11,14,16-17,24,30H,9-10,12-13,15H2,1-2H3,(H,28,31)/t17-,24+,26+/s2
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4.40E+3n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Activity at human KOR expressed in EE-HEK293 cells assessed as pEC50 for effect on (-)U50,488H-induced response (Rvb = 6.2 +/- 0.04 No_unit)


Bioorg Med Chem 24: 2832-42 (2016)

More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50168137
PNG
(CHEMBL3799570)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1CCC(=O)Nc1ccc3ncccc3c1)[C@H]2C |r,THB:8:9:30:14.13.12,15:14:30:3.9.2|
Show InChI InChI=1/C26H29N3O2/c1-17-24-15-18-5-7-21(30)16-22(18)26(17,2)10-13-29(24)12-9-25(31)28-20-6-8-23-19(14-20)4-3-11-27-23/h3-8,11,14,16-17,24,30H,9-10,12-13,15H2,1-2H3,(H,28,31)/t17-,24+,26+/s2
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4.56E+3n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPN from rat MOR expressed in EE-HEK293 cell membranes by liquid scintillation counting


Bioorg Med Chem 24: 2832-42 (2016)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50168139
PNG
(CHEMBL3800620)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1CCC(=O)Nc1cnc3ccccc3c1)[C@H]2C |r,THB:8:9:30:14.13.12,15:14:30:3.9.2|
Show InChI InChI=1/C26H29N3O2/c1-17-24-14-18-7-8-21(30)15-22(18)26(17,2)10-12-29(24)11-9-25(31)28-20-13-19-5-3-4-6-23(19)27-16-20/h3-8,13,15-17,24,30H,9-12,14H2,1-2H3,(H,28,31)/t17-,24+,26+/s2
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6.47E+3n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Activity at human KOR expressed in EE-HEK293 cells assessed as pEC50 for effect on (-)U50,488H-induced response (Rvb = 6.2 +/- 0.04 No_unit)


Bioorg Med Chem 24: 2832-42 (2016)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50142692
PNG
(CHEMBL3759092)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1CCC(=O)Nc1ccccc1)[C@H]2C |r,THB:8:9:26:12.14.13,15:14:26:3.9.2|
Show InChI InChI=1/C23H28N2O2/c1-16-21-14-17-8-9-19(26)15-20(17)23(16,2)11-13-25(21)12-10-22(27)24-18-6-4-3-5-7-18/h3-9,15-16,21,26H,10-14H2,1-2H3,(H,24,27)/t16-,21+,23+/s2
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7.50E+3n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Activity at human KOR expressed in EE-HEK293 cells assessed as pEC50 for effect on (-)U50,488H-induced response (Rvb = 6.2 +/- 0.04 No_unit)


Bioorg Med Chem 24: 2832-42 (2016)

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


(GUINEA PIG)
BDBM50168140
PNG
(CHEMBL3797702)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1CCC(=O)Nc1cccc3cnccc13)[C@H]2C |r,THB:8:9:30:14.13.12,15:14:30:3.9.2|
Show InChI InChI=1/C26H29N3O2/c1-17-24-14-18-6-7-20(30)15-22(18)26(17,2)10-13-29(24)12-9-25(31)28-23-5-3-4-19-16-27-11-8-21(19)23/h3-8,11,15-17,24,30H,9-10,12-14H2,1-2H3,(H,28,31)/t17-,24+,26+/s2
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n/an/an/an/a 2.00E+4n/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Agonist activity at MOR in Dunkin-Hartley guinea pig ileum assessed as inhibition of EFS-induced contractions incubated for 60 mins


Bioorg Med Chem 24: 2832-42 (2016)

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


(GUINEA PIG)
BDBM50142692
PNG
(CHEMBL3759092)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1CCC(=O)Nc1ccccc1)[C@H]2C |r,THB:8:9:26:12.14.13,15:14:26:3.9.2|
Show InChI InChI=1/C23H28N2O2/c1-16-21-14-17-8-9-19(26)15-20(17)23(16,2)11-13-25(21)12-10-22(27)24-18-6-4-3-5-7-18/h3-9,15-16,21,26H,10-14H2,1-2H3,(H,24,27)/t16-,21+,23+/s2
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n/an/an/an/a 794n/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Agonist activity at MOR in Dunkin-Hartley guinea pig ileum assessed as inhibition of EFS-induced contractions incubated for 60 mins


Bioorg Med Chem 24: 2832-42 (2016)

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


(GUINEA PIG)
BDBM21015
PNG
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO
Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1
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n/an/an/an/a 158n/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Agonist activity at MOR in Dunkin-Hartley guinea pig ileum assessed as inhibition of EFS-induced contractions incubated for 60 mins


Bioorg Med Chem 24: 2832-42 (2016)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50168141
PNG
(CHEMBL3797228)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1CCC(=O)Nc1cccc3ccccc13)[C@H]2C |r,THB:8:9:30:14.13.12,15:14:30:3.9.2|
Show InChI InChI=1/C27H30N2O2/c1-18-25-16-20-10-11-21(30)17-23(20)27(18,2)13-15-29(25)14-12-26(31)28-24-9-5-7-19-6-3-4-8-22(19)24/h3-11,17-18,25,30H,12-16H2,1-2H3,(H,28,31)/t18-,25+,27+/s2
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n/an/an/an/a 1.00E+4n/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Activity at human KOR expressed in EE-HEK293 cells assessed as pEC50 for effect on (-)U50,488H-induced response (Rvb = 6.2 +/- 0.04 No_unit)


Bioorg Med Chem 24: 2832-42 (2016)

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


(MOUSE)
BDBM50142692
PNG
(CHEMBL3759092)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1CCC(=O)Nc1ccccc1)[C@H]2C |r,THB:8:9:26:12.14.13,15:14:26:3.9.2|
Show InChI InChI=1/C23H28N2O2/c1-16-21-14-17-8-9-19(26)15-20(17)23(16,2)11-13-25(21)12-10-22(27)24-18-6-4-3-5-7-18/h3-9,15-16,21,26H,10-14H2,1-2H3,(H,24,27)/t16-,21+,23+/s2
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n/an/an/an/a 1.26E+5n/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Antagonist activity at DOR in CD1 mouse vas deferens assessed as pEC50 for DPDPE-induced inhibition of EFS-evoked contractions at 1 uM incubated for ...


Bioorg Med Chem 24: 2832-42 (2016)

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


(GUINEA PIG)
BDBM50168141
PNG
(CHEMBL3797228)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1CCC(=O)Nc1cccc3ccccc13)[C@H]2C |r,THB:8:9:30:14.13.12,15:14:30:3.9.2|
Show InChI InChI=1/C27H30N2O2/c1-18-25-16-20-10-11-21(30)17-23(20)27(18,2)13-15-29(25)14-12-26(31)28-24-9-5-7-19-6-3-4-8-22(19)24/h3-11,17-18,25,30H,12-16H2,1-2H3,(H,28,31)/t18-,25+,27+/s2
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n/an/an/an/a 5.01E+7n/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Agonist activity at MOR in Dunkin-Hartley guinea pig ileum assessed as inhibition of EFS-induced contractions incubated for 60 mins


Bioorg Med Chem 24: 2832-42 (2016)

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


(MOUSE)
BDBM50168141
PNG
(CHEMBL3797228)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1CCC(=O)Nc1cccc3ccccc13)[C@H]2C |r,THB:8:9:30:14.13.12,15:14:30:3.9.2|
Show InChI InChI=1/C27H30N2O2/c1-18-25-16-20-10-11-21(30)17-23(20)27(18,2)13-15-29(25)14-12-26(31)28-24-9-5-7-19-6-3-4-8-22(19)24/h3-11,17-18,25,30H,12-16H2,1-2H3,(H,28,31)/t18-,25+,27+/s2
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n/an/an/an/a 7.94E+3n/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Antagonist activity at DOR in CD1 mouse vas deferens assessed as pEC50 for DPDPE-induced inhibition of EFS-evoked contractions at 1 uM incubated for ...


Bioorg Med Chem 24: 2832-42 (2016)

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


(MOUSE)
BDBM21008
PNG
((4S,7S,13S)-13-[(2S)-2-amino-3-(4-hydroxyphenyl)pr...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21-,23-,24-/m0/s1
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n/an/an/an/a 126n/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Agonist activity at DOR in CD1 mouse vas deferens assessed as inhibition of EFS-induced contractions incubated for 60 mins


Bioorg Med Chem 24: 2832-42 (2016)

More data for this
Ligand-Target Pair
Kappa-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 |r|
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/an/an/a 631n/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Agonist activity at human KOR expressed in EE-HEK293 cells


Bioorg Med Chem 24: 2832-42 (2016)

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


(MOUSE)
BDBM50168140
PNG
(CHEMBL3797702)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1CCC(=O)Nc1cccc3cnccc13)[C@H]2C |r,THB:8:9:30:14.13.12,15:14:30:3.9.2|
Show InChI InChI=1/C26H29N3O2/c1-17-24-14-18-6-7-20(30)15-22(18)26(17,2)10-13-29(24)12-9-25(31)28-23-5-3-4-19-16-27-11-8-21(19)23/h3-8,11,15-17,24,30H,9-10,12-14H2,1-2H3,(H,28,31)/t17-,24+,26+/s2
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n/an/an/an/a 1.58E+5n/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Agonist activity at DOR in CD1 mouse vas deferens assessed as inhibition of EFS-induced contractions incubated for 60 mins


Bioorg Med Chem 24: 2832-42 (2016)

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