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PubMed code 16033285

Compile data set for download or QSAR
Found 24 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
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50170966
PNG
(10-hydroxy-3,4-dimethoxy-17-methyl-17-azatetracycl...)
Show SMILES COc1ccc2CC3N(C)CC[C@@]4(C=C(CC[C@@]34O)C#N)c2c1OC
Show InChI InChI=1S/C20H24N2O3/c1-22-9-8-19-11-13(12-21)6-7-20(19,23)16(22)10-14-4-5-15(24-2)18(25-3)17(14)19/h4-5,11,16,23H,6-10H2,1-3H3/t16?,19-,20-/m1/s1
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2.44n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H][DAMGO] from mu opioid receptor of rat brain membranes


J Med Chem 48: 5052-5 (2005)


Article DOI: 10.1021/jm0580205
BindingDB Entry DOI: 10.7270/Q2P26ZW1
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50026682
PNG
(10-hydroxy-3,4-dimethoxy-17-methyl-(10S)-17-azatet...)
Show SMILES COc1ccc2CC3N(C)CC[C@@]4(CC(=O)CC[C@@]34O)c2c1OC
Show InChI InChI=1S/C19H25NO4/c1-20-9-8-18-11-13(21)6-7-19(18,22)15(20)10-12-4-5-14(23-2)17(24-3)16(12)18/h4-5,15,22H,6-11H2,1-3H3/t15?,18-,19-/m1/s1
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3.88n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H][DAMGO] from mu opioid receptor of rat brain membranes


J Med Chem 48: 5052-5 (2005)


Article DOI: 10.1021/jm0580205
BindingDB Entry DOI: 10.7270/Q2P26ZW1
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50026687
PNG
(3-hydroxy-4,10-dimethoxy-17-methyl-(10S)-17-azatet...)
Show SMILES COc1ccc2CC3N(C)CC[C@@]4(CC(=O)CC[C@@]34OC)c2c1O
Show InChI InChI=1S/C19H25NO4/c1-20-9-8-18-11-13(21)6-7-19(18,24-3)15(20)10-12-4-5-14(23-2)17(22)16(12)18/h4-5,15,22H,6-11H2,1-3H3/t15?,18-,19-/m1/s1
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4.65n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H][DAMGO] from mu opioid receptor of rat brain membranes


J Med Chem 48: 5052-5 (2005)


Article DOI: 10.1021/jm0580205
BindingDB Entry DOI: 10.7270/Q2P26ZW1
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50170964
PNG
(3-hydroxy-4,10-dimethoxy-17-methyl-17-azatetracycl...)
Show SMILES COc1ccc2CC3N(C)CC[C@@]4(C=C(CC[C@@]34OC)C#N)c2c1O
Show InChI InChI=1S/C20H24N2O3/c1-22-9-8-19-11-13(12-21)6-7-20(19,25-3)16(22)10-14-4-5-15(24-2)18(23)17(14)19/h4-5,11,16,23H,6-10H2,1-3H3/t16?,19-,20-/m1/s1
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5.38n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H][DAMGO] from mu opioid receptor of rat brain membranes


J Med Chem 48: 5052-5 (2005)


Article DOI: 10.1021/jm0580205
BindingDB Entry DOI: 10.7270/Q2P26ZW1
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
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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6.55n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor of rat brain membranes


J Med Chem 48: 5052-5 (2005)


Article DOI: 10.1021/jm0580205
BindingDB Entry DOI: 10.7270/Q2P26ZW1
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50170962
PNG
(3,10-dihydroxy-4-methoxy-17-methyl-17-azatetracycl...)
Show SMILES COc1ccc2CC3N(C)CC[C@@]4(C=C(CC[C@@]34O)C#N)c2c1O
Show InChI InChI=1S/C19H22N2O3/c1-21-8-7-18-10-12(11-20)5-6-19(18,23)15(21)9-13-3-4-14(24-2)17(22)16(13)18/h3-4,10,15,22-23H,5-9H2,1-2H3/t15?,18-,19-/m1/s1
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31.7n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H][DAMGO] from mu opioid receptor of rat brain membranes


J Med Chem 48: 5052-5 (2005)


Article DOI: 10.1021/jm0580205
BindingDB Entry DOI: 10.7270/Q2P26ZW1
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50170963
PNG
(3,10-dihydroxy-4-methoxy-17-methyl-17-azatetracycl...)
Show SMILES COc1ccc2CC3N(C)CC[C@@]4(CC(=O)CC[C@@]34O)c2c1O
Show InChI InChI=1S/C18H23NO4/c1-19-8-7-17-10-12(20)5-6-18(17,22)14(19)9-11-3-4-13(23-2)16(21)15(11)17/h3-4,14,21-22H,5-10H2,1-2H3/t14?,17-,18-/m1/s1
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32.6n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H][DAMGO] from mu opioid receptor of rat brain membranes


J Med Chem 48: 5052-5 (2005)


Article DOI: 10.1021/jm0580205
BindingDB Entry DOI: 10.7270/Q2P26ZW1
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50370595
PNG
(OXYCODONE | Oxycontin | US9233167, Oxycodone)
Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3/t13-,16+,17+,18-/m1/s1
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43.6n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor of rat brain membranes


J Med Chem 48: 5052-5 (2005)


Article DOI: 10.1021/jm0580205
BindingDB Entry DOI: 10.7270/Q2P26ZW1
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50026682
PNG
(10-hydroxy-3,4-dimethoxy-17-methyl-(10S)-17-azatet...)
Show SMILES COc1ccc2CC3N(C)CC[C@@]4(CC(=O)CC[C@@]34O)c2c1OC
Show InChI InChI=1S/C19H25NO4/c1-20-9-8-18-11-13(21)6-7-19(18,22)15(20)10-12-4-5-14(23-2)17(24-3)16(12)18/h4-5,15,22H,6-11H2,1-3H3/t15?,18-,19-/m1/s1
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91.6n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]Ile5,6]-deltorphin II from delta opioid receptor of rat brain membranes


J Med Chem 48: 5052-5 (2005)


Article DOI: 10.1021/jm0580205
BindingDB Entry DOI: 10.7270/Q2P26ZW1
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50170966
PNG
(10-hydroxy-3,4-dimethoxy-17-methyl-17-azatetracycl...)
Show SMILES COc1ccc2CC3N(C)CC[C@@]4(C=C(CC[C@@]34O)C#N)c2c1OC
Show InChI InChI=1S/C20H24N2O3/c1-22-9-8-19-11-13(12-21)6-7-20(19,23)16(22)10-14-4-5-15(24-2)18(25-3)17(14)19/h4-5,11,16,23H,6-10H2,1-3H3/t16?,19-,20-/m1/s1
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107n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]Ile5,6]-deltorphin II from delta opioid receptor of rat brain membranes


J Med Chem 48: 5052-5 (2005)


Article DOI: 10.1021/jm0580205
BindingDB Entry DOI: 10.7270/Q2P26ZW1
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat))
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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113n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from kappa opioid receptor of rat brain membranes


J Med Chem 48: 5052-5 (2005)


Article DOI: 10.1021/jm0580205
BindingDB Entry DOI: 10.7270/Q2P26ZW1
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50026687
PNG
(3-hydroxy-4,10-dimethoxy-17-methyl-(10S)-17-azatet...)
Show SMILES COc1ccc2CC3N(C)CC[C@@]4(CC(=O)CC[C@@]34OC)c2c1O
Show InChI InChI=1S/C19H25NO4/c1-20-9-8-18-11-13(21)6-7-19(18,24-3)15(20)10-12-4-5-14(23-2)17(22)16(12)18/h4-5,15,22H,6-11H2,1-3H3/t15?,18-,19-/m1/s1
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180n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]Ile5,6]-deltorphin II from delta opioid receptor of rat brain membranes


J Med Chem 48: 5052-5 (2005)


Article DOI: 10.1021/jm0580205
BindingDB Entry DOI: 10.7270/Q2P26ZW1
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50170964
PNG
(3-hydroxy-4,10-dimethoxy-17-methyl-17-azatetracycl...)
Show SMILES COc1ccc2CC3N(C)CC[C@@]4(C=C(CC[C@@]34OC)C#N)c2c1O
Show InChI InChI=1S/C20H24N2O3/c1-22-9-8-19-11-13(12-21)6-7-20(19,25-3)16(22)10-14-4-5-15(24-2)18(23)17(14)19/h4-5,11,16,23H,6-10H2,1-3H3/t16?,19-,20-/m1/s1
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197n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]Ile5,6]-deltorphin II from delta opioid receptor of rat brain membranes


J Med Chem 48: 5052-5 (2005)


Article DOI: 10.1021/jm0580205
BindingDB Entry DOI: 10.7270/Q2P26ZW1
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
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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217n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H[Ile5,6]-deltorphin II from delta opioid receptor of rat brain membranes


J Med Chem 48: 5052-5 (2005)


Article DOI: 10.1021/jm0580205
BindingDB Entry DOI: 10.7270/Q2P26ZW1
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat))
BDBM50170966
PNG
(10-hydroxy-3,4-dimethoxy-17-methyl-17-azatetracycl...)
Show SMILES COc1ccc2CC3N(C)CC[C@@]4(C=C(CC[C@@]34O)C#N)c2c1OC
Show InChI InChI=1S/C20H24N2O3/c1-22-9-8-19-11-13(12-21)6-7-20(19,23)16(22)10-14-4-5-15(24-2)18(25-3)17(14)19/h4-5,11,16,23H,6-10H2,1-3H3/t16?,19-,20-/m1/s1
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364n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of[3H]U69,593 from kappa opioid receptor of rat brain membranes


J Med Chem 48: 5052-5 (2005)


Article DOI: 10.1021/jm0580205
BindingDB Entry DOI: 10.7270/Q2P26ZW1
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat))
BDBM50170964
PNG
(3-hydroxy-4,10-dimethoxy-17-methyl-17-azatetracycl...)
Show SMILES COc1ccc2CC3N(C)CC[C@@]4(C=C(CC[C@@]34OC)C#N)c2c1O
Show InChI InChI=1S/C20H24N2O3/c1-22-9-8-19-11-13(12-21)6-7-20(19,25-3)16(22)10-14-4-5-15(24-2)18(23)17(14)19/h4-5,11,16,23H,6-10H2,1-3H3/t16?,19-,20-/m1/s1
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378n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of[3H]U69,593 from kappa opioid receptor of rat brain membranes


J Med Chem 48: 5052-5 (2005)


Article DOI: 10.1021/jm0580205
BindingDB Entry DOI: 10.7270/Q2P26ZW1
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50170962
PNG
(3,10-dihydroxy-4-methoxy-17-methyl-17-azatetracycl...)
Show SMILES COc1ccc2CC3N(C)CC[C@@]4(C=C(CC[C@@]34O)C#N)c2c1O
Show InChI InChI=1S/C19H22N2O3/c1-21-8-7-18-10-12(11-20)5-6-19(18,23)15(21)9-13-3-4-14(24-2)17(22)16(13)18/h3-4,10,15,22-23H,5-9H2,1-2H3/t15?,18-,19-/m1/s1
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498n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]Ile5,6]-deltorphin II from delta opioid receptor of rat brain membranes


J Med Chem 48: 5052-5 (2005)


Article DOI: 10.1021/jm0580205
BindingDB Entry DOI: 10.7270/Q2P26ZW1
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat))
BDBM50026687
PNG
(3-hydroxy-4,10-dimethoxy-17-methyl-(10S)-17-azatet...)
Show SMILES COc1ccc2CC3N(C)CC[C@@]4(CC(=O)CC[C@@]34OC)c2c1O
Show InChI InChI=1S/C19H25NO4/c1-20-9-8-18-11-13(21)6-7-19(18,24-3)15(20)10-12-4-5-14(23-2)17(22)16(12)18/h4-5,15,22H,6-11H2,1-3H3/t15?,18-,19-/m1/s1
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592n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of[3H]U69,593 from kappa opioid receptor of rat brain membranes


J Med Chem 48: 5052-5 (2005)


Article DOI: 10.1021/jm0580205
BindingDB Entry DOI: 10.7270/Q2P26ZW1
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat))
BDBM50026682
PNG
(10-hydroxy-3,4-dimethoxy-17-methyl-(10S)-17-azatet...)
Show SMILES COc1ccc2CC3N(C)CC[C@@]4(CC(=O)CC[C@@]34O)c2c1OC
Show InChI InChI=1S/C19H25NO4/c1-20-9-8-18-11-13(21)6-7-19(18,22)15(20)10-12-4-5-14(23-2)17(24-3)16(12)18/h4-5,15,22H,6-11H2,1-3H3/t15?,18-,19-/m1/s1
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693n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of[3H]U69,593 from kappa opioid receptor of rat brain membranes


J Med Chem 48: 5052-5 (2005)


Article DOI: 10.1021/jm0580205
BindingDB Entry DOI: 10.7270/Q2P26ZW1
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat))
BDBM50170963
PNG
(3,10-dihydroxy-4-methoxy-17-methyl-17-azatetracycl...)
Show SMILES COc1ccc2CC3N(C)CC[C@@]4(CC(=O)CC[C@@]34O)c2c1O
Show InChI InChI=1S/C18H23NO4/c1-19-8-7-17-10-12(20)5-6-18(17,22)14(19)9-11-3-4-13(23-2)16(21)15(11)17/h3-4,14,21-22H,5-10H2,1-2H3/t14?,17-,18-/m1/s1
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763n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of[3H]U69,593 from kappa opioid receptor of rat brain membranes


J Med Chem 48: 5052-5 (2005)


Article DOI: 10.1021/jm0580205
BindingDB Entry DOI: 10.7270/Q2P26ZW1
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50170963
PNG
(3,10-dihydroxy-4-methoxy-17-methyl-17-azatetracycl...)
Show SMILES COc1ccc2CC3N(C)CC[C@@]4(CC(=O)CC[C@@]34O)c2c1O
Show InChI InChI=1S/C18H23NO4/c1-19-8-7-17-10-12(20)5-6-18(17,22)14(19)9-11-3-4-13(23-2)16(21)15(11)17/h3-4,14,21-22H,5-10H2,1-2H3/t14?,17-,18-/m1/s1
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881n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]Ile5,6]-deltorphin II from delta opioid receptor of rat brain membranes


J Med Chem 48: 5052-5 (2005)


Article DOI: 10.1021/jm0580205
BindingDB Entry DOI: 10.7270/Q2P26ZW1
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50370595
PNG
(OXYCODONE | Oxycontin | US9233167, Oxycodone)
Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3/t13-,16+,17+,18-/m1/s1
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1.09E+3n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H[Ile5,6]-deltorphin II from delta opioid receptor of rat brain membranes


J Med Chem 48: 5052-5 (2005)


Article DOI: 10.1021/jm0580205
BindingDB Entry DOI: 10.7270/Q2P26ZW1
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat))
BDBM50170962
PNG
(3,10-dihydroxy-4-methoxy-17-methyl-17-azatetracycl...)
Show SMILES COc1ccc2CC3N(C)CC[C@@]4(C=C(CC[C@@]34O)C#N)c2c1O
Show InChI InChI=1S/C19H22N2O3/c1-21-8-7-18-10-12(11-20)5-6-19(18,23)15(21)9-13-3-4-14(24-2)17(22)16(13)18/h3-4,10,15,22-23H,5-9H2,1-2H3/t15?,18-,19-/m1/s1
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1.65E+3n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of[3H]U69,593 from kappa opioid receptor of rat brain membranes


J Med Chem 48: 5052-5 (2005)


Article DOI: 10.1021/jm0580205
BindingDB Entry DOI: 10.7270/Q2P26ZW1
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat))
BDBM50370595
PNG
(OXYCODONE | Oxycontin | US9233167, Oxycodone)
Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3/t13-,16+,17+,18-/m1/s1
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2.66E+3n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from kappa opioid receptor of rat brain membranes


J Med Chem 48: 5052-5 (2005)


Article DOI: 10.1021/jm0580205
BindingDB Entry DOI: 10.7270/Q2P26ZW1
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%