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PubMed code 11448220

Compile data set for download or QSAR
Found 93 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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50101613
PNG
(1-{2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-pr...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CNC(=O)Nc1ccccc1
Show InChI InChI=1S/C28H32N4O3/c1-18-12-24(33)13-19(2)25(18)15-26(29)27(34)32-17-21-9-7-6-8-20(21)14-23(32)16-30-28(35)31-22-10-4-3-5-11-22/h3-13,23,26,33H,14-17,29H2,1-2H3,(H2,30,31,35)/t23-,26-/m0/s1
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n/an/a 0.130n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity at cloned human delta-opioid receptor


J Med Chem 44: 2387-90 (2001)

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


(Homo sapiens (Human))
BDBM50101624
PNG
(1-{2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-pr...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CNC(=O)NC(C)(C)C
Show InChI InChI=1S/C26H36N4O3/c1-16-10-21(31)11-17(2)22(16)13-23(27)24(32)30-15-19-9-7-6-8-18(19)12-20(30)14-28-25(33)29-26(3,4)5/h6-11,20,23,31H,12-15,27H2,1-5H3,(H2,28,29,33)/t20-,23-/m0/s1
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n/an/a 0.170n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity at cloned human delta-opioid receptor


J Med Chem 44: 2387-90 (2001)

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


(Homo sapiens (Human))
BDBM50101614
PNG
(1-{2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-pr...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CNC(=S)NC(C)(C)C
Show InChI InChI=1S/C26H36N4O2S/c1-16-10-21(31)11-17(2)22(16)13-23(27)24(32)30-15-19-9-7-6-8-18(19)12-20(30)14-28-25(33)29-26(3,4)5/h6-11,20,23,31H,12-15,27H2,1-5H3,(H2,28,29,33)/t20-,23-/m0/s1
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n/an/a 0.220n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity at cloned human delta-opioid receptor


J Med Chem 44: 2387-90 (2001)

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


(Homo sapiens (Human))
BDBM50101629
PNG
(CHEMBL309307 | N-{2-[2-Amino-3-(4-hydroxy-2,6-dime...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CNC(=O)c1ccccc1
Show InChI InChI=1S/C28H31N3O3/c1-18-12-24(32)13-19(2)25(18)15-26(29)28(34)31-17-22-11-7-6-10-21(22)14-23(31)16-30-27(33)20-8-4-3-5-9-20/h3-13,23,26,32H,14-17,29H2,1-2H3,(H,30,33)/t23-,26-/m0/s1
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n/an/a 0.240n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity at cloned human delta-opioid receptor


J Med Chem 44: 2387-90 (2001)

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


(Homo sapiens (Human))
BDBM50101609
PNG
(1-{2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-pr...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CNC(=S)Nc1ccccc1
Show InChI InChI=1S/C28H32N4O2S/c1-18-12-24(33)13-19(2)25(18)15-26(29)27(34)32-17-21-9-7-6-8-20(21)14-23(32)16-30-28(35)31-22-10-4-3-5-11-22/h3-13,23,26,33H,14-17,29H2,1-2H3,(H2,30,31,35)/t23-,26-/m0/s1
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n/an/a 0.270n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity at cloned human delta-opioid receptor


J Med Chem 44: 2387-90 (2001)

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


(Homo sapiens (Human))
BDBM50101617
PNG
(1-Adamantan-1-yl-3-{2-[2-amino-3-(4-hydroxy-2,6-di...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:32:33:37:31.30.36,THB:32:31:37:33.38.34,34:35:30:33.38.32,34:33:30:35.37.36|
Show InChI InChI=1S/C32H42N4O3/c1-19-7-27(37)8-20(2)28(19)13-29(33)30(38)36-18-25-6-4-3-5-24(25)12-26(36)17-34-31(39)35-32-14-21-9-22(15-32)11-23(10-21)16-32/h3-8,21-23,26,29,37H,9-18,33H2,1-2H3,(H2,34,35,39)/t21?,22?,23?,26-,29-,32?/m0/s1
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n/an/a 0.290n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity at cloned human delta-opioid receptor


J Med Chem 44: 2387-90 (2001)

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


(Homo sapiens (Human))
BDBM50101612
PNG
(2-Amino-1-(3-benzyloxymethyl-3,4-dihydro-1H-isoqui...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1COCc1ccccc1
Show InChI InChI=1S/C28H32N2O3/c1-19-12-25(31)13-20(2)26(19)15-27(29)28(32)30-16-23-11-7-6-10-22(23)14-24(30)18-33-17-21-8-4-3-5-9-21/h3-13,24,27,31H,14-18,29H2,1-2H3/t24-,27-/m0/s1
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n/an/a 0.330n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity at cloned human delta-opioid receptor


J Med Chem 44: 2387-90 (2001)

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


(Homo sapiens (Human))
BDBM50101628
PNG
(2-Amino-1-[3-(benzylamino-methyl)-3,4-dihydro-1H-i...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CNCc1ccccc1
Show InChI InChI=1S/C28H33N3O2/c1-19-12-25(32)13-20(2)26(19)15-27(29)28(33)31-18-23-11-7-6-10-22(23)14-24(31)17-30-16-21-8-4-3-5-9-21/h3-13,24,27,30,32H,14-18,29H2,1-2H3/t24-,27-/m0/s1
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n/an/a 0.410n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity at cloned human delta-opioid receptor


J Med Chem 44: 2387-90 (2001)

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


(Homo sapiens (Human))
BDBM50101628
PNG
(2-Amino-1-[3-(benzylamino-methyl)-3,4-dihydro-1H-i...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CNCc1ccccc1
Show InChI InChI=1S/C28H33N3O2/c1-19-12-25(32)13-20(2)26(19)15-27(29)28(33)31-18-23-11-7-6-10-22(23)14-24(31)17-30-16-21-8-4-3-5-9-21/h3-13,24,27,30,32H,14-18,29H2,1-2H3/t24-,27-/m0/s1
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n/an/a 0.650n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Agonist potency using GTP-gamma [35S]- binding assay for mu-opioid receptor


J Med Chem 44: 2387-90 (2001)

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


(Homo sapiens (Human))
BDBM50101620
PNG
(CHEMBL80823 | N-{2-[2-Amino-3-(4-hydroxy-2,6-dimet...)
Show SMILES CC(=O)NC[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C
Show InChI InChI=1S/C23H29N3O3/c1-14-8-20(28)9-15(2)21(14)11-22(24)23(29)26-13-18-7-5-4-6-17(18)10-19(26)12-25-16(3)27/h4-9,19,22,28H,10-13,24H2,1-3H3,(H,25,27)/t19-,22-/m0/s1
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n/an/a 0.790n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity at cloned human delta-opioid receptor


J Med Chem 44: 2387-90 (2001)

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


(Homo sapiens (Human))
BDBM50101630
PNG
(CHEMBL307889 | N-{2-[2-Amino-3-(4-hydroxy-2,6-dime...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CNC(=O)C(C)(C)C
Show InChI InChI=1S/C26H35N3O3/c1-16-10-21(30)11-17(2)22(16)13-23(27)24(31)29-15-19-9-7-6-8-18(19)12-20(29)14-28-25(32)26(3,4)5/h6-11,20,23,30H,12-15,27H2,1-5H3,(H,28,32)/t20-,23-/m0/s1
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n/an/a 0.790n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity at cloned human delta-opioid receptor


J Med Chem 44: 2387-90 (2001)

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


(Homo sapiens (Human))
BDBM50101615
PNG
(2-Amino-1-(3-dimethylaminomethyl-3,4-dihydro-1H-is...)
Show SMILES CN(C)C[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C
Show InChI InChI=1S/C23H31N3O2/c1-15-9-20(27)10-16(2)21(15)12-22(24)23(28)26-13-18-8-6-5-7-17(18)11-19(26)14-25(3)4/h5-10,19,22,27H,11-14,24H2,1-4H3/t19-,22-/m0/s1
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n/an/a 0.970n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity at cloned human delta-opioid receptor


J Med Chem 44: 2387-90 (2001)

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


(Homo sapiens (Human))
BDBM50101629
PNG
(CHEMBL309307 | N-{2-[2-Amino-3-(4-hydroxy-2,6-dime...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CNC(=O)c1ccccc1
Show InChI InChI=1S/C28H31N3O3/c1-18-12-24(32)13-19(2)25(18)15-26(29)28(34)31-17-22-11-7-6-10-21(22)14-23(31)16-30-27(33)20-8-4-3-5-9-20/h3-13,23,26,32H,14-17,29H2,1-2H3,(H,30,33)/t23-,26-/m0/s1
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n/an/a 0.980n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Agonist potency using GTP-gamma [35S]- binding assay for mu-opioid receptor


J Med Chem 44: 2387-90 (2001)

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


(Homo sapiens (Human))
BDBM50101616
PNG
(1-(3-Allyloxymethyl-3,4-dihydro-1H-isoquinolin-2-y...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1COCC=C
Show InChI InChI=1S/C24H30N2O3/c1-4-9-29-15-20-12-18-7-5-6-8-19(18)14-26(20)24(28)23(25)13-22-16(2)10-21(27)11-17(22)3/h4-8,10-11,20,23,27H,1,9,12-15,25H2,2-3H3/t20-,23-/m0/s1
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n/an/a 0.980n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity at cloned human delta-opioid receptor


J Med Chem 44: 2387-90 (2001)

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


(Homo sapiens (Human))
BDBM50101631
PNG
(1-{2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-pr...)
Show SMILES CCNC(=O)NC[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C
Show InChI InChI=1S/C24H32N4O3/c1-4-26-24(31)27-13-19-11-17-7-5-6-8-18(17)14-28(19)23(30)22(25)12-21-15(2)9-20(29)10-16(21)3/h5-10,19,22,29H,4,11-14,25H2,1-3H3,(H2,26,27,31)/t19-,22-/m0/s1
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n/an/a 0.990n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity at cloned human delta-opioid receptor


J Med Chem 44: 2387-90 (2001)

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


(Homo sapiens (Human))
BDBM50101610
PNG
(2-Amino-1-{3-[(2,2-dimethyl-propylamino)-methyl]-3...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CNCC(C)(C)C
Show InChI InChI=1S/C26H37N3O2/c1-17-10-22(30)11-18(2)23(17)13-24(27)25(31)29-15-20-9-7-6-8-19(20)12-21(29)14-28-16-26(3,4)5/h6-11,21,24,28,30H,12-16,27H2,1-5H3/t21-,24-/m0/s1
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n/an/a 0.990n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity at cloned human delta-opioid receptor


J Med Chem 44: 2387-90 (2001)

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


(Homo sapiens (Human))
BDBM50101613
PNG
(1-{2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-pr...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CNC(=O)Nc1ccccc1
Show InChI InChI=1S/C28H32N4O3/c1-18-12-24(33)13-19(2)25(18)15-26(29)27(34)32-17-21-9-7-6-8-20(21)14-23(32)16-30-28(35)31-22-10-4-3-5-11-22/h3-13,23,26,33H,14-17,29H2,1-2H3,(H2,30,31,35)/t23-,26-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity at cloned human mu-opioid receptor


J Med Chem 44: 2387-90 (2001)

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


(Homo sapiens (Human))
BDBM50101617
PNG
(1-Adamantan-1-yl-3-{2-[2-amino-3-(4-hydroxy-2,6-di...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:32:33:37:31.30.36,THB:32:31:37:33.38.34,34:35:30:33.38.32,34:33:30:35.37.36|
Show InChI InChI=1S/C32H42N4O3/c1-19-7-27(37)8-20(2)28(19)13-29(33)30(38)36-18-25-6-4-3-5-24(25)12-26(36)17-34-31(39)35-32-14-21-9-22(15-32)11-23(10-21)16-32/h3-8,21-23,26,29,37H,9-18,33H2,1-2H3,(H2,34,35,39)/t21?,22?,23?,26-,29-,32?/m0/s1
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n/an/a 1.10n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Agonist potency using GTP-gamma [35S]- binding assay for mu-opioid receptor


J Med Chem 44: 2387-90 (2001)

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


(Homo sapiens (Human))
BDBM50101619
PNG
(2-Amino-1-(3-azidomethyl-3,4-dihydro-1H-isoquinoli...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CN=[N+]=[N-]
Show InChI InChI=1S/C21H25N5O2/c1-13-7-18(27)8-14(2)19(13)10-20(22)21(28)26-12-16-6-4-3-5-15(16)9-17(26)11-24-25-23/h3-8,17,20,27H,9-12,22H2,1-2H3/t17-,20-/m0/s1
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AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity at cloned human delta-opioid receptor


J Med Chem 44: 2387-90 (2001)

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


(Homo sapiens (Human))
BDBM50101618
PNG
(Acetic acid 2-[2-amino-3-(4-hydroxy-2,6-dimethyl-p...)
Show SMILES CC(=O)OC[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C
Show InChI InChI=1S/C23H28N2O4/c1-14-8-20(27)9-15(2)21(14)11-22(24)23(28)25-12-18-7-5-4-6-17(18)10-19(25)13-29-16(3)26/h4-9,19,22,27H,10-13,24H2,1-3H3/t19-,22-/m0/s1
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AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity at cloned human delta-opioid receptor


J Med Chem 44: 2387-90 (2001)

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


(Homo sapiens (Human))
BDBM50101610
PNG
(2-Amino-1-{3-[(2,2-dimethyl-propylamino)-methyl]-3...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CNCC(C)(C)C
Show InChI InChI=1S/C26H37N3O2/c1-17-10-22(30)11-18(2)23(17)13-24(27)25(31)29-15-20-9-7-6-8-19(20)12-21(29)14-28-16-26(3,4)5/h6-11,21,24,28,30H,12-16,27H2,1-5H3/t21-,24-/m0/s1
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AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Agonist potency using GTP-gamma [35S]- binding assay for mu-opioid receptor


J Med Chem 44: 2387-90 (2001)

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


(Homo sapiens (Human))
BDBM50001468
PNG
((S)-3-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C37H52N8O10/c1-19(2)30(36(54)40-18-28(39)47)45-37(55)31(20(3)4)44-35(53)27(17-29(48)49)43-34(52)26(16-22-9-7-6-8-10-22)42-32(50)21(5)41-33(51)25(38)15-23-11-13-24(46)14-12-23/h6-14,19-21,25-27,30-31,46H,15-18,38H2,1-5H3,(H2,39,47)(H,40,54)(H,41,51)(H,42,50)(H,43,52)(H,44,53)(H,45,55)(H,48,49)/t21-,25+,26+,27+,30+,31+/m1/s1
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AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity at cloned human delta-opioid receptor


J Med Chem 44: 2387-90 (2001)

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


(Homo sapiens (Human))
BDBM50101622
PNG
(2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-1-(3-met...)
Show SMILES COC[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C
Show InChI InChI=1S/C22H28N2O3/c1-14-8-19(25)9-15(2)20(14)11-21(23)22(26)24-12-17-7-5-4-6-16(17)10-18(24)13-27-3/h4-9,18,21,25H,10-13,23H2,1-3H3/t18-,21-/m0/s1
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AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity at cloned human delta-opioid receptor


J Med Chem 44: 2387-90 (2001)

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


(Homo sapiens (Human))
BDBM50101624
PNG
(1-{2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-pr...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CNC(=O)NC(C)(C)C
Show InChI InChI=1S/C26H36N4O3/c1-16-10-21(31)11-17(2)22(16)13-23(27)24(32)30-15-19-9-7-6-8-18(19)12-20(30)14-28-25(33)29-26(3,4)5/h6-11,20,23,31H,12-15,27H2,1-5H3,(H2,28,29,33)/t20-,23-/m0/s1
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AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Agonist potency using GTP-gamma [35S]- binding assay for opioid receptor kappa 1


J Med Chem 44: 2387-90 (2001)

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


(Homo sapiens (Human))
BDBM50101628
PNG
(2-Amino-1-[3-(benzylamino-methyl)-3,4-dihydro-1H-i...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CNCc1ccccc1
Show InChI InChI=1S/C28H33N3O2/c1-19-12-25(32)13-20(2)26(19)15-27(29)28(33)31-18-23-11-7-6-10-22(23)14-24(31)17-30-16-21-8-4-3-5-9-21/h3-13,24,27,30,32H,14-18,29H2,1-2H3/t24-,27-/m0/s1
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n/an/a 1.5n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Agonist potency using GTP-gamma [35S]- binding assay for opioid receptor kappa 1


J Med Chem 44: 2387-90 (2001)

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


(Homo sapiens (Human))
BDBM50101610
PNG
(2-Amino-1-{3-[(2,2-dimethyl-propylamino)-methyl]-3...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CNCC(C)(C)C
Show InChI InChI=1S/C26H37N3O2/c1-17-10-22(30)11-18(2)23(17)13-24(27)25(31)29-15-20-9-7-6-8-19(20)12-21(29)14-28-16-26(3,4)5/h6-11,21,24,28,30H,12-16,27H2,1-5H3/t21-,24-/m0/s1
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n/an/a 1.5n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Agonist potency using GTP-gamma [35S]- binding assay for opioid receptor kappa 1


J Med Chem 44: 2387-90 (2001)

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


(Homo sapiens (Human))
BDBM50101623
PNG
((4-Hydroxy-2,6-dimethyl-phenyl)-[(1,2,3,4-tetrahyd...)
Show SMILES Cc1cc(O)cc(C)c1C(NC(=O)C1Cc2ccccc2CN1)C(O)=O
Show InChI InChI=1S/C20H22N2O4/c1-11-7-15(23)8-12(2)17(11)18(20(25)26)22-19(24)16-9-13-5-3-4-6-14(13)10-21-16/h3-8,16,18,21,23H,9-10H2,1-2H3,(H,22,24)(H,25,26)
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n/an/a 1.60n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity at cloned human delta-opioid receptor


J Med Chem 44: 2387-90 (2001)

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


(Homo sapiens (Human))
BDBM50101611
PNG
(2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-1-(3-met...)
Show SMILES C[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C
Show InChI InChI=1S/C21H26N2O2/c1-13-8-18(24)9-14(2)19(13)11-20(22)21(25)23-12-17-7-5-4-6-16(17)10-15(23)3/h4-9,15,20,24H,10-12,22H2,1-3H3/t15-,20+/m1/s1
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n/an/a 1.70n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity at cloned human delta-opioid receptor


J Med Chem 44: 2387-90 (2001)

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


(Homo sapiens (Human))
BDBM50101621
PNG
(2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-1-(3-hyd...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CO
Show InChI InChI=1S/C21H26N2O3/c1-13-7-18(25)8-14(2)19(13)10-20(22)21(26)23-11-16-6-4-3-5-15(16)9-17(23)12-24/h3-8,17,20,24-25H,9-12,22H2,1-2H3/t17-,20-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity at cloned human delta-opioid receptor


J Med Chem 44: 2387-90 (2001)

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


(Homo sapiens (Human))
BDBM50101614
PNG
(1-{2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-pr...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CNC(=S)NC(C)(C)C
Show InChI InChI=1S/C26H36N4O2S/c1-16-10-21(31)11-17(2)22(16)13-23(27)24(32)30-15-19-9-7-6-8-18(19)12-20(30)14-28-25(33)29-26(3,4)5/h6-11,20,23,31H,12-15,27H2,1-5H3,(H2,28,29,33)/t20-,23-/m0/s1
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n/an/a 2.80n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity at cloned human opioid receptor kappa 1


J Med Chem 44: 2387-90 (2001)

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


(Homo sapiens (Human))
BDBM50101611
PNG
(2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-1-(3-met...)
Show SMILES C[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C
Show InChI InChI=1S/C21H26N2O2/c1-13-8-18(24)9-14(2)19(13)11-20(22)21(25)23-12-17-7-5-4-6-16(17)10-15(23)3/h4-9,15,20,24H,10-12,22H2,1-3H3/t15-,20+/m1/s1
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AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Agonist potency using GTP-gamma [35S]- binding assay for mu-opioid receptor


J Med Chem 44: 2387-90 (2001)

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


(Homo sapiens (Human))
BDBM50101626
PNG
(CHEMBL309236 | N-{2-[2-Amino-3-(4-hydroxy-2,6-dime...)
Show SMILES [#6]-c1cc(-[#8])cc(-[#6])c1-[#6]-[#6@H](-[#7])-[#6](=O)-[#7]-1-[#6]-c2ccccc2-[#6]-[#6@H]-1-[#6]\[#7]=[#6](/[#7])-[#7]
Show InChI InChI=1S/C22H29N5O2/c1-13-7-18(28)8-14(2)19(13)10-20(23)21(29)27-12-16-6-4-3-5-15(16)9-17(27)11-26-22(24)25/h3-8,17,20,28H,9-12,23H2,1-2H3,(H4,24,25,26)/t17-,20-/m0/s1
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n/an/a 3.20n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity at cloned human delta-opioid receptor


J Med Chem 44: 2387-90 (2001)

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


(Homo sapiens (Human))
BDBM50101617
PNG
(1-Adamantan-1-yl-3-{2-[2-amino-3-(4-hydroxy-2,6-di...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:32:33:37:31.30.36,THB:32:31:37:33.38.34,34:35:30:33.38.32,34:33:30:35.37.36|
Show InChI InChI=1S/C32H42N4O3/c1-19-7-27(37)8-20(2)28(19)13-29(33)30(38)36-18-25-6-4-3-5-24(25)12-26(36)17-34-31(39)35-32-14-21-9-22(15-32)11-23(10-21)16-32/h3-8,21-23,26,29,37H,9-18,33H2,1-2H3,(H2,34,35,39)/t21?,22?,23?,26-,29-,32?/m0/s1
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n/an/a 4.10n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Agonist potency using GTP-gamma [35S]- binding assay for opioid receptor kappa 1


J Med Chem 44: 2387-90 (2001)

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


(Homo sapiens (Human))
BDBM50101618
PNG
(Acetic acid 2-[2-amino-3-(4-hydroxy-2,6-dimethyl-p...)
Show SMILES CC(=O)OC[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C
Show InChI InChI=1S/C23H28N2O4/c1-14-8-20(27)9-15(2)21(14)11-22(24)23(28)25-12-18-7-5-4-6-17(18)10-19(25)13-29-16(3)26/h4-9,19,22,27H,10-13,24H2,1-3H3/t19-,22-/m0/s1
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n/an/a 4.70n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Agonist potency using GTP-gamma [35S]- binding assay for mu-opioid receptor


J Med Chem 44: 2387-90 (2001)

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


(Homo sapiens (Human))
BDBM50101613
PNG
(1-{2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-pr...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CNC(=O)Nc1ccccc1
Show InChI InChI=1S/C28H32N4O3/c1-18-12-24(33)13-19(2)25(18)15-26(29)27(34)32-17-21-9-7-6-8-20(21)14-23(32)16-30-28(35)31-22-10-4-3-5-11-22/h3-13,23,26,33H,14-17,29H2,1-2H3,(H2,30,31,35)/t23-,26-/m0/s1
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n/an/a 4.80n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Agonist potency using GTP-gamma [35S]- binding assay for opioid receptor kappa 1


J Med Chem 44: 2387-90 (2001)

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


(Homo sapiens (Human))
BDBM50101625
PNG
(2-Amino-1-(3-aminomethyl-3,4-dihydro-1H-isoquinoli...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CN
Show InChI InChI=1S/C21H27N3O2/c1-13-7-18(25)8-14(2)19(13)10-20(23)21(26)24-12-16-6-4-3-5-15(16)9-17(24)11-22/h3-8,17,20,25H,9-12,22-23H2,1-2H3/t17-,20-/m0/s1
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n/an/a 4.90n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity at cloned human delta-opioid receptor


J Med Chem 44: 2387-90 (2001)

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


(Homo sapiens (Human))
BDBM50101609
PNG
(1-{2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-pr...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CNC(=S)Nc1ccccc1
Show InChI InChI=1S/C28H32N4O2S/c1-18-12-24(33)13-19(2)25(18)15-26(29)27(34)32-17-21-9-7-6-8-20(21)14-23(32)16-30-28(35)31-22-10-4-3-5-11-22/h3-13,23,26,33H,14-17,29H2,1-2H3,(H2,30,31,35)/t23-,26-/m0/s1
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n/an/a 5.40n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Agonist potency using GTP-gamma [35S]- binding assay for mu-opioid receptor


J Med Chem 44: 2387-90 (2001)

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


(Homo sapiens (Human))
BDBM50101627
PNG
(CHEMBL310146 | N-{2-[2-Amino-3-(4-hydroxy-2,6-dime...)
Show SMILES CC(N)=NC[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |w:3.3|
Show InChI InChI=1S/C23H30N4O2/c1-14-8-20(28)9-15(2)21(14)11-22(25)23(29)27-13-18-7-5-4-6-17(18)10-19(27)12-26-16(3)24/h4-9,19,22,28H,10-13,25H2,1-3H3,(H2,24,26)/t19-,22-/m0/s1
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n/an/a 9.90n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity at cloned human delta-opioid receptor


J Med Chem 44: 2387-90 (2001)

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


(Homo sapiens (Human))
BDBM50101626
PNG
(CHEMBL309236 | N-{2-[2-Amino-3-(4-hydroxy-2,6-dime...)
Show SMILES [#6]-c1cc(-[#8])cc(-[#6])c1-[#6]-[#6@H](-[#7])-[#6](=O)-[#7]-1-[#6]-c2ccccc2-[#6]-[#6@H]-1-[#6]\[#7]=[#6](/[#7])-[#7]
Show InChI InChI=1S/C22H29N5O2/c1-13-7-18(28)8-14(2)19(13)10-20(23)21(29)27-12-16-6-4-3-5-15(16)9-17(27)11-26-22(24)25/h3-8,17,20,28H,9-12,23H2,1-2H3,(H4,24,25,26)/t17-,20-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Agonist potency using GTP-gamma [35S]- binding assay for mu-opioid receptor


J Med Chem 44: 2387-90 (2001)

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


(Homo sapiens (Human))
BDBM50101612
PNG
(2-Amino-1-(3-benzyloxymethyl-3,4-dihydro-1H-isoqui...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1COCc1ccccc1
Show InChI InChI=1S/C28H32N2O3/c1-19-12-25(31)13-20(2)26(19)15-27(29)28(32)30-16-23-11-7-6-10-22(23)14-24(30)18-33-17-21-8-4-3-5-9-21/h3-13,24,27,31H,14-18,29H2,1-2H3/t24-,27-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Agonist potency using GTP-gamma [35S]- binding assay for mu-opioid receptor


J Med Chem 44: 2387-90 (2001)

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


(Homo sapiens (Human))
BDBM50101620
PNG
(CHEMBL80823 | N-{2-[2-Amino-3-(4-hydroxy-2,6-dimet...)
Show SMILES CC(=O)NC[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C
Show InChI InChI=1S/C23H29N3O3/c1-14-8-20(28)9-15(2)21(14)11-22(24)23(29)26-13-18-7-5-4-6-17(18)10-19(26)12-25-16(3)27/h4-9,19,22,28H,10-13,24H2,1-3H3,(H,25,27)/t19-,22-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Agonist potency using GTP-gamma [35S]- binding assay for mu-opioid receptor


J Med Chem 44: 2387-90 (2001)

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


(Homo sapiens (Human))
BDBM50101630
PNG
(CHEMBL307889 | N-{2-[2-Amino-3-(4-hydroxy-2,6-dime...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CNC(=O)C(C)(C)C
Show InChI InChI=1S/C26H35N3O3/c1-16-10-21(30)11-17(2)22(16)13-23(27)24(31)29-15-19-9-7-6-8-18(19)12-20(29)14-28-25(32)26(3,4)5/h6-11,20,23,30H,12-15,27H2,1-5H3,(H,28,32)/t20-,23-/m0/s1
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n/an/a 25n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Agonist potency using GTP-gamma [35S]- binding assay for mu-opioid receptor


J Med Chem 44: 2387-90 (2001)

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


(Homo sapiens (Human))
BDBM50101627
PNG
(CHEMBL310146 | N-{2-[2-Amino-3-(4-hydroxy-2,6-dime...)
Show SMILES CC(N)=NC[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |w:3.3|
Show InChI InChI=1S/C23H30N4O2/c1-14-8-20(28)9-15(2)21(14)11-22(25)23(29)27-13-18-7-5-4-6-17(18)10-19(27)12-26-16(3)24/h4-9,19,22,28H,10-13,25H2,1-3H3,(H2,24,26)/t19-,22-/m0/s1
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n/an/a 33n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Agonist potency using GTP-gamma [35S]- binding assay for mu-opioid receptor


J Med Chem 44: 2387-90 (2001)

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


(Homo sapiens (Human))
BDBM50101614
PNG
(1-{2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-pr...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CNC(=S)NC(C)(C)C
Show InChI InChI=1S/C26H36N4O2S/c1-16-10-21(31)11-17(2)22(16)13-23(27)24(32)30-15-19-9-7-6-8-18(19)12-20(30)14-28-25(33)29-26(3,4)5/h6-11,20,23,31H,12-15,27H2,1-5H3,(H2,28,29,33)/t20-,23-/m0/s1
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n/an/a 36n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Agonist potency using GTP-gamma [35S]- binding assay for mu-opioid receptor


J Med Chem 44: 2387-90 (2001)

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


(Homo sapiens (Human))
BDBM50101609
PNG
(1-{2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-pr...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CNC(=S)Nc1ccccc1
Show InChI InChI=1S/C28H32N4O2S/c1-18-12-24(33)13-19(2)25(18)15-26(29)27(34)32-17-21-9-7-6-8-20(21)14-23(32)16-30-28(35)31-22-10-4-3-5-11-22/h3-13,23,26,33H,14-17,29H2,1-2H3,(H2,30,31,35)/t23-,26-/m0/s1
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n/an/a 51n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Agonist potency using GTP-gamma [35S]- binding assay for opioid receptor kappa 1


J Med Chem 44: 2387-90 (2001)

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


(Homo sapiens (Human))
BDBM50101624
PNG
(1-{2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-pr...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CNC(=O)NC(C)(C)C
Show InChI InChI=1S/C26H36N4O3/c1-16-10-21(31)11-17(2)22(16)13-23(27)24(32)30-15-19-9-7-6-8-18(19)12-20(30)14-28-25(33)29-26(3,4)5/h6-11,20,23,31H,12-15,27H2,1-5H3,(H2,28,29,33)/t20-,23-/m0/s1
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n/an/a 62n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Agonist potency using GTP-gamma [35S]- binding assay for mu-opioid receptor


J Med Chem 44: 2387-90 (2001)

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


(Homo sapiens (Human))
BDBM50101612
PNG
(2-Amino-1-(3-benzyloxymethyl-3,4-dihydro-1H-isoqui...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1COCc1ccccc1
Show InChI InChI=1S/C28H32N2O3/c1-19-12-25(31)13-20(2)26(19)15-27(29)28(32)30-16-23-11-7-6-10-22(23)14-24(30)18-33-17-21-8-4-3-5-9-21/h3-13,24,27,31H,14-18,29H2,1-2H3/t24-,27-/m0/s1
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n/an/a 65n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Agonist potency using GTP-gamma [35S]- binding assay for opioid receptor kappa 1


J Med Chem 44: 2387-90 (2001)

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


(Homo sapiens (Human))
BDBM50101615
PNG
(2-Amino-1-(3-dimethylaminomethyl-3,4-dihydro-1H-is...)
Show SMILES CN(C)C[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C
Show InChI InChI=1S/C23H31N3O2/c1-15-9-20(27)10-16(2)21(15)12-22(24)23(28)26-13-18-8-6-5-7-17(18)11-19(26)14-25(3)4/h5-10,19,22,27H,11-14,24H2,1-4H3/t19-,22-/m0/s1
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n/an/a 83n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Agonist potency using GTP-gamma [35S]- binding assay for mu-opioid receptor


J Med Chem 44: 2387-90 (2001)

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


(Homo sapiens (Human))
BDBM50101619
PNG
(2-Amino-1-(3-azidomethyl-3,4-dihydro-1H-isoquinoli...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CN=[N+]=[N-]
Show InChI InChI=1S/C21H25N5O2/c1-13-7-18(27)8-14(2)19(13)10-20(22)21(28)26-12-16-6-4-3-5-15(16)9-17(26)11-24-25-23/h3-8,17,20,27H,9-12,22H2,1-2H3/t17-,20-/m0/s1
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n/an/a 95n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Agonist potency using GTP-gamma [35S]- binding assay for mu-opioid receptor


J Med Chem 44: 2387-90 (2001)

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


(Homo sapiens (Human))
BDBM50101616
PNG
(1-(3-Allyloxymethyl-3,4-dihydro-1H-isoquinolin-2-y...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1COCC=C
Show InChI InChI=1S/C24H30N2O3/c1-4-9-29-15-20-12-18-7-5-6-8-19(18)14-26(20)24(28)23(25)13-22-16(2)10-21(27)11-17(22)3/h4-8,10-11,20,23,27H,1,9,12-15,25H2,2-3H3/t20-,23-/m0/s1
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n/an/a 108n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Agonist potency using GTP-gamma [35S]- binding assay for mu-opioid receptor


J Med Chem 44: 2387-90 (2001)

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


(Homo sapiens (Human))
BDBM50101625
PNG
(2-Amino-1-(3-aminomethyl-3,4-dihydro-1H-isoquinoli...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CN
Show InChI InChI=1S/C21H27N3O2/c1-13-7-18(25)8-14(2)19(13)10-20(23)21(26)24-12-16-6-4-3-5-15(16)9-17(24)11-22/h3-8,17,20,25H,9-12,22-23H2,1-2H3/t17-,20-/m0/s1
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n/an/a 113n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Agonist potency using GTP-gamma [35S]- binding assay for mu-opioid receptor


J Med Chem 44: 2387-90 (2001)

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


(Homo sapiens (Human))
BDBM50101631
PNG
(1-{2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-pr...)
Show SMILES CCNC(=O)NC[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C
Show InChI InChI=1S/C24H32N4O3/c1-4-26-24(31)27-13-19-11-17-7-5-6-8-18(17)14-28(19)23(30)22(25)12-21-15(2)9-20(29)10-16(21)3/h5-10,19,22,29H,4,11-14,25H2,1-3H3,(H2,26,27,31)/t19-,22-/m0/s1
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n/an/a 169n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Agonist potency using GTP-gamma [35S]- binding assay for mu-opioid receptor


J Med Chem 44: 2387-90 (2001)

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


(Homo sapiens (Human))
BDBM50001468
PNG
((S)-3-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C37H52N8O10/c1-19(2)30(36(54)40-18-28(39)47)45-37(55)31(20(3)4)44-35(53)27(17-29(48)49)43-34(52)26(16-22-9-7-6-8-10-22)42-32(50)21(5)41-33(51)25(38)15-23-11-13-24(46)14-12-23/h6-14,19-21,25-27,30-31,46H,15-18,38H2,1-5H3,(H2,39,47)(H,40,54)(H,41,51)(H,42,50)(H,43,52)(H,44,53)(H,45,55)(H,48,49)/t21-,25+,26+,27+,30+,31+/m1/s1
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n/an/a 225n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity at cloned human mu-opioid receptor


J Med Chem 44: 2387-90 (2001)

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


(Homo sapiens (Human))
BDBM50101629
PNG
(CHEMBL309307 | N-{2-[2-Amino-3-(4-hydroxy-2,6-dime...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CNC(=O)c1ccccc1
Show InChI InChI=1S/C28H31N3O3/c1-18-12-24(32)13-19(2)25(18)15-26(29)28(34)31-17-22-11-7-6-10-21(22)14-23(31)16-30-27(33)20-8-4-3-5-9-20/h3-13,23,26,32H,14-17,29H2,1-2H3,(H,30,33)/t23-,26-/m0/s1
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n/an/a 307n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Agonist potency using GTP-gamma [35S]- binding assay for opioid receptor kappa 1


J Med Chem 44: 2387-90 (2001)

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


(Homo sapiens (Human))
BDBM50101631
PNG
(1-{2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-pr...)
Show SMILES CCNC(=O)NC[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C
Show InChI InChI=1S/C24H32N4O3/c1-4-26-24(31)27-13-19-11-17-7-5-6-8-18(17)14-28(19)23(30)22(25)12-21-15(2)9-20(29)10-16(21)3/h5-10,19,22,29H,4,11-14,25H2,1-3H3,(H2,26,27,31)/t19-,22-/m0/s1
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n/an/a 321n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Agonist potency using GTP-gamma [35S]- binding assay for opioid receptor kappa 1


J Med Chem 44: 2387-90 (2001)

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


(Homo sapiens (Human))
BDBM50101626
PNG
(CHEMBL309236 | N-{2-[2-Amino-3-(4-hydroxy-2,6-dime...)
Show SMILES [#6]-c1cc(-[#8])cc(-[#6])c1-[#6]-[#6@H](-[#7])-[#6](=O)-[#7]-1-[#6]-c2ccccc2-[#6]-[#6@H]-1-[#6]\[#7]=[#6](/[#7])-[#7]
Show InChI InChI=1S/C22H29N5O2/c1-13-7-18(28)8-14(2)19(13)10-20(23)21(29)27-12-16-6-4-3-5-15(16)9-17(27)11-26-22(24)25/h3-8,17,20,28H,9-12,23H2,1-2H3,(H4,24,25,26)/t17-,20-/m0/s1
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n/an/a 345n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Agonist potency using GTP-gamma [35S]- binding assay for opioid receptor kappa 1


J Med Chem 44: 2387-90 (2001)

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


(Homo sapiens (Human))
BDBM50101630
PNG
(CHEMBL307889 | N-{2-[2-Amino-3-(4-hydroxy-2,6-dime...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CNC(=O)C(C)(C)C
Show InChI InChI=1S/C26H35N3O3/c1-16-10-21(30)11-17(2)22(16)13-23(27)24(31)29-15-19-9-7-6-8-18(19)12-20(29)14-28-25(32)26(3,4)5/h6-11,20,23,30H,12-15,27H2,1-5H3,(H,28,32)/t20-,23-/m0/s1
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n/an/a 394n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Agonist potency using GTP-gamma [35S]- binding assay for opioid receptor kappa 1


J Med Chem 44: 2387-90 (2001)

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


(Homo sapiens (Human))
BDBM50101621
PNG
(2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-1-(3-hyd...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CO
Show InChI InChI=1S/C21H26N2O3/c1-13-7-18(25)8-14(2)19(13)10-20(22)21(26)23-11-16-6-4-3-5-15(16)9-17(23)12-24/h3-8,17,20,24-25H,9-12,22H2,1-2H3/t17-,20-/m0/s1
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n/an/a 421n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Agonist potency using GTP-gamma [35S]- binding assay for mu-opioid receptor


J Med Chem 44: 2387-90 (2001)

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


(Homo sapiens (Human))
BDBM50101622
PNG
(2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-1-(3-met...)
Show SMILES COC[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C
Show InChI InChI=1S/C22H28N2O3/c1-14-8-19(25)9-15(2)20(14)11-21(23)22(26)24-12-17-7-5-4-6-16(17)10-18(24)13-27-3/h4-9,18,21,25H,10-13,23H2,1-3H3/t18-,21-/m0/s1
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n/an/a 458n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Agonist potency using GTP-gamma [35S]- binding assay for mu-opioid receptor


J Med Chem 44: 2387-90 (2001)

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


(Homo sapiens (Human))
BDBM50101625
PNG
(2-Amino-1-(3-aminomethyl-3,4-dihydro-1H-isoquinoli...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CN
Show InChI InChI=1S/C21H27N3O2/c1-13-7-18(25)8-14(2)19(13)10-20(23)21(26)24-12-16-6-4-3-5-15(16)9-17(24)11-22/h3-8,17,20,25H,9-12,22-23H2,1-2H3/t17-,20-/m0/s1
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n/an/a 521n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Agonist potency using GTP-gamma [35S]- binding assay for opioid receptor kappa 1


J Med Chem 44: 2387-90 (2001)

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


(Homo sapiens (Human))
BDBM50101611
PNG
(2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-1-(3-met...)
Show SMILES C[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C
Show InChI InChI=1S/C21H26N2O2/c1-13-8-18(24)9-14(2)19(13)11-20(22)21(25)23-12-17-7-5-4-6-16(17)10-15(23)3/h4-9,15,20,24H,10-12,22H2,1-3H3/t15-,20+/m1/s1
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n/an/a 764n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Agonist potency using GTP-gamma [35S]- binding assay for opioid receptor kappa 1


J Med Chem 44: 2387-90 (2001)

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


(Homo sapiens (Human))
BDBM50101615
PNG
(2-Amino-1-(3-dimethylaminomethyl-3,4-dihydro-1H-is...)
Show SMILES CN(C)C[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C
Show InChI InChI=1S/C23H31N3O2/c1-15-9-20(27)10-16(2)21(15)12-22(24)23(28)26-13-18-8-6-5-7-17(18)11-19(26)14-25(3)4/h5-10,19,22,27H,11-14,24H2,1-4H3/t19-,22-/m0/s1
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n/an/a 793n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Agonist potency using GTP-gamma [35S]- binding assay for opioid receptor kappa 1


J Med Chem 44: 2387-90 (2001)

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


(Homo sapiens (Human))
BDBM50101623
PNG
((4-Hydroxy-2,6-dimethyl-phenyl)-[(1,2,3,4-tetrahyd...)
Show SMILES Cc1cc(O)cc(C)c1C(NC(=O)C1Cc2ccccc2CN1)C(O)=O
Show InChI InChI=1S/C20H22N2O4/c1-11-7-15(23)8-12(2)17(11)18(20(25)26)22-19(24)16-9-13-5-3-4-6-14(13)10-21-16/h3-8,16,18,21,23H,9-10H2,1-2H3,(H,22,24)(H,25,26)
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n/an/a 894n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Agonist potency using GTP-gamma [35S]- binding assay for mu-opioid receptor


J Med Chem 44: 2387-90 (2001)

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


(Homo sapiens (Human))
BDBM50101627
PNG
(CHEMBL310146 | N-{2-[2-Amino-3-(4-hydroxy-2,6-dime...)
Show SMILES CC(N)=NC[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |w:3.3|
Show InChI InChI=1S/C23H30N4O2/c1-14-8-20(28)9-15(2)21(14)11-22(25)23(29)27-13-18-7-5-4-6-17(18)10-19(27)12-26-16(3)24/h4-9,19,22,28H,10-13,25H2,1-3H3,(H2,24,26)/t19-,22-/m0/s1
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n/an/a 996n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Agonist potency using GTP-gamma [35S]- binding assay for opioid receptor kappa 1


J Med Chem 44: 2387-90 (2001)

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


(Homo sapiens (Human))
BDBM50101619
PNG
(2-Amino-1-(3-azidomethyl-3,4-dihydro-1H-isoquinoli...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CN=[N+]=[N-]
Show InChI InChI=1S/C21H25N5O2/c1-13-7-18(27)8-14(2)19(13)10-20(22)21(28)26-12-16-6-4-3-5-15(16)9-17(26)11-24-25-23/h3-8,17,20,27H,9-12,22H2,1-2H3/t17-,20-/m0/s1
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n/an/a 1.07E+3n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Agonist potency using GTP-gamma [35S]- binding assay for opioid receptor kappa 1


J Med Chem 44: 2387-90 (2001)

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


(Homo sapiens (Human))
BDBM50101616
PNG
(1-(3-Allyloxymethyl-3,4-dihydro-1H-isoquinolin-2-y...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1COCC=C
Show InChI InChI=1S/C24H30N2O3/c1-4-9-29-15-20-12-18-7-5-6-8-19(18)14-26(20)24(28)23(25)13-22-16(2)10-21(27)11-17(22)3/h4-8,10-11,20,23,27H,1,9,12-15,25H2,2-3H3/t20-,23-/m0/s1
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n/an/a 1.45E+3n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Agonist potency using GTP-gamma [35S]- binding assay for opioid receptor kappa 1


J Med Chem 44: 2387-90 (2001)

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


(Homo sapiens (Human))
BDBM50101622
PNG
(2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-1-(3-met...)
Show SMILES COC[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C
Show InChI InChI=1S/C22H28N2O3/c1-14-8-19(25)9-15(2)20(14)11-21(23)22(26)24-12-17-7-5-4-6-16(17)10-18(24)13-27-3/h4-9,18,21,25H,10-13,23H2,1-3H3/t18-,21-/m0/s1
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n/an/a 2.51E+3n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Agonist potency using GTP-gamma [35S]- binding assay for opioid receptor kappa 1


J Med Chem 44: 2387-90 (2001)

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


(Homo sapiens (Human))
BDBM50101618
PNG
(Acetic acid 2-[2-amino-3-(4-hydroxy-2,6-dimethyl-p...)
Show SMILES CC(=O)OC[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C
Show InChI InChI=1S/C23H28N2O4/c1-14-8-20(27)9-15(2)21(14)11-22(24)23(28)25-12-18-7-5-4-6-17(18)10-19(25)13-29-16(3)26/h4-9,19,22,27H,10-13,24H2,1-3H3/t19-,22-/m0/s1
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n/an/a 3.10E+3n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Agonist potency using GTP-gamma [35S]- binding assay for opioid receptor kappa 1


J Med Chem 44: 2387-90 (2001)

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


(Homo sapiens (Human))
BDBM50001468
PNG
((S)-3-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C37H52N8O10/c1-19(2)30(36(54)40-18-28(39)47)45-37(55)31(20(3)4)44-35(53)27(17-29(48)49)43-34(52)26(16-22-9-7-6-8-10-22)42-32(50)21(5)41-33(51)25(38)15-23-11-13-24(46)14-12-23/h6-14,19-21,25-27,30-31,46H,15-18,38H2,1-5H3,(H2,39,47)(H,40,54)(H,41,51)(H,42,50)(H,43,52)(H,44,53)(H,45,55)(H,48,49)/t21-,25+,26+,27+,30+,31+/m1/s1
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n/an/a 7.33E+3n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity at cloned human opioid receptor kappa 1


J Med Chem 44: 2387-90 (2001)

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


(Homo sapiens (Human))
BDBM50101620
PNG
(CHEMBL80823 | N-{2-[2-Amino-3-(4-hydroxy-2,6-dimet...)
Show SMILES CC(=O)NC[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C
Show InChI InChI=1S/C23H29N3O3/c1-14-8-20(28)9-15(2)21(14)11-22(24)23(29)26-13-18-7-5-4-6-17(18)10-19(26)12-25-16(3)27/h4-9,19,22,28H,10-13,24H2,1-3H3,(H,25,27)/t19-,22-/m0/s1
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n/an/a 9.38E+3n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Agonist potency using GTP-gamma [35S]- binding assay for opioid receptor kappa 1


J Med Chem 44: 2387-90 (2001)

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


(Homo sapiens (Human))
BDBM50101621
PNG
(2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-1-(3-hyd...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CO
Show InChI InChI=1S/C21H26N2O3/c1-13-7-18(25)8-14(2)19(13)10-20(22)21(26)23-11-16-6-4-3-5-15(16)9-17(23)12-24/h3-8,17,20,24-25H,9-12,22H2,1-2H3/t17-,20-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Agonist potency using GTP-gamma [35S]- binding assay for opioid receptor kappa 1


J Med Chem 44: 2387-90 (2001)

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


(Homo sapiens (Human))
BDBM50101623
PNG
((4-Hydroxy-2,6-dimethyl-phenyl)-[(1,2,3,4-tetrahyd...)
Show SMILES Cc1cc(O)cc(C)c1C(NC(=O)C1Cc2ccccc2CN1)C(O)=O
Show InChI InChI=1S/C20H22N2O4/c1-11-7-15(23)8-12(2)17(11)18(20(25)26)22-19(24)16-9-13-5-3-4-6-14(13)10-21-16/h3-8,16,18,21,23H,9-10H2,1-2H3,(H,22,24)(H,25,26)
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n/an/a 3.75E+4n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Agonist potency using GTP-gamma [35S]- binding assay for opioid receptor kappa 1


J Med Chem 44: 2387-90 (2001)

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


(Homo sapiens (Human))
BDBM50001468
PNG
((S)-3-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C37H52N8O10/c1-19(2)30(36(54)40-18-28(39)47)45-37(55)31(20(3)4)44-35(53)27(17-29(48)49)43-34(52)26(16-22-9-7-6-8-10-22)42-32(50)21(5)41-33(51)25(38)15-23-11-13-24(46)14-12-23/h6-14,19-21,25-27,30-31,46H,15-18,38H2,1-5H3,(H2,39,47)(H,40,54)(H,41,51)(H,42,50)(H,43,52)(H,44,53)(H,45,55)(H,48,49)/t21-,25+,26+,27+,30+,31+/m1/s1
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n/an/an/an/a 1.13E+3n/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Agonist potency using GTP-gamma [35S]- binding assay for mu-opioid receptor


J Med Chem 44: 2387-90 (2001)

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


(Homo sapiens (Human))
BDBM50101624
PNG
(1-{2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-pr...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CNC(=O)NC(C)(C)C
Show InChI InChI=1S/C26H36N4O3/c1-16-10-21(31)11-17(2)22(16)13-23(27)24(32)30-15-19-9-7-6-8-18(19)12-20(30)14-28-25(33)29-26(3,4)5/h6-11,20,23,31H,12-15,27H2,1-5H3,(H2,28,29,33)/t20-,23-/m0/s1
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n/an/an/an/a 6.90n/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Agonist potency using GTP-gamma [35S]- binding assay for opioid receptor kappa 1


J Med Chem 44: 2387-90 (2001)

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


(Homo sapiens (Human))
BDBM50101614
PNG
(1-{2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-pr...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CNC(=S)NC(C)(C)C
Show InChI InChI=1S/C26H36N4O2S/c1-16-10-21(31)11-17(2)22(16)13-23(27)24(32)30-15-19-9-7-6-8-18(19)12-20(30)14-28-25(33)29-26(3,4)5/h6-11,20,23,31H,12-15,27H2,1-5H3,(H2,28,29,33)/t20-,23-/m0/s1
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n/an/an/an/a 0.320n/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Agonist potency using GTP-gamma [35S]- binding assay for delta-opioid receptor


J Med Chem 44: 2387-90 (2001)

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


(Homo sapiens (Human))
BDBM50101629
PNG
(CHEMBL309307 | N-{2-[2-Amino-3-(4-hydroxy-2,6-dime...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CNC(=O)c1ccccc1
Show InChI InChI=1S/C28H31N3O3/c1-18-12-24(32)13-19(2)25(18)15-26(29)28(34)31-17-22-11-7-6-10-21(22)14-23(31)16-30-27(33)20-8-4-3-5-9-20/h3-13,23,26,32H,14-17,29H2,1-2H3,(H,30,33)/t23-,26-/m0/s1
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n/an/an/an/a 109n/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Agonist potency using GTP-gamma [35S]- binding assay for mu-opioid receptor


J Med Chem 44: 2387-90 (2001)

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


(Homo sapiens (Human))
BDBM50101614
PNG
(1-{2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-pr...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CNC(=S)NC(C)(C)C
Show InChI InChI=1S/C26H36N4O2S/c1-16-10-21(31)11-17(2)22(16)13-23(27)24(32)30-15-19-9-7-6-8-18(19)12-20(30)14-28-25(33)29-26(3,4)5/h6-11,20,23,31H,12-15,27H2,1-5H3,(H2,28,29,33)/t20-,23-/m0/s1
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n/an/an/an/a 24n/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Agonist potency using GTP-gamma [35S]- binding assay for opioid receptor kappa 1


J Med Chem 44: 2387-90 (2001)

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


(Homo sapiens (Human))
BDBM50101613
PNG
(1-{2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-pr...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CNC(=O)Nc1ccccc1
Show InChI InChI=1S/C28H32N4O3/c1-18-12-24(33)13-19(2)25(18)15-26(29)27(34)32-17-21-9-7-6-8-20(21)14-23(32)16-30-28(35)31-22-10-4-3-5-11-22/h3-13,23,26,33H,14-17,29H2,1-2H3,(H2,30,31,35)/t23-,26-/m0/s1
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n/an/an/an/a 0.75n/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Agonist potency using GTP-gamma [35S]- binding assay for delta-opioid receptor


J Med Chem 44: 2387-90 (2001)

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


(Homo sapiens (Human))
BDBM50101628
PNG
(2-Amino-1-[3-(benzylamino-methyl)-3,4-dihydro-1H-i...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CNCc1ccccc1
Show InChI InChI=1S/C28H33N3O2/c1-19-12-25(32)13-20(2)26(19)15-27(29)28(33)31-18-23-11-7-6-10-22(23)14-24(31)17-30-16-21-8-4-3-5-9-21/h3-13,24,27,30,32H,14-18,29H2,1-2H3/t24-,27-/m0/s1
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n/an/an/an/a 6.80n/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Agonist potency using GTP-gamma [35S]- binding assay for opioid receptor kappa 1


J Med Chem 44: 2387-90 (2001)

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


(Homo sapiens (Human))
BDBM50101613
PNG
(1-{2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-pr...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CNC(=O)Nc1ccccc1
Show InChI InChI=1S/C28H32N4O3/c1-18-12-24(33)13-19(2)25(18)15-26(29)27(34)32-17-21-9-7-6-8-20(21)14-23(32)16-30-28(35)31-22-10-4-3-5-11-22/h3-13,23,26,33H,14-17,29H2,1-2H3,(H2,30,31,35)/t23-,26-/m0/s1
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n/an/an/an/a 161n/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Agonist potency using GTP-gamma [35S]- binding assay for opioid receptor kappa 1


J Med Chem 44: 2387-90 (2001)

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


(Homo sapiens (Human))
BDBM50101620
PNG
(CHEMBL80823 | N-{2-[2-Amino-3-(4-hydroxy-2,6-dimet...)
Show SMILES CC(=O)NC[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C
Show InChI InChI=1S/C23H29N3O3/c1-14-8-20(28)9-15(2)21(14)11-22(24)23(29)26-13-18-7-5-4-6-17(18)10-19(26)12-25-16(3)27/h4-9,19,22,28H,10-13,24H2,1-3H3,(H,25,27)/t19-,22-/m0/s1
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n/an/an/an/a 1.5n/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Agonist potency using GTP-gamma [35S]- binding assay for delta-opioid receptor


J Med Chem 44: 2387-90 (2001)

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


(Homo sapiens (Human))
BDBM50101619
PNG
(2-Amino-1-(3-azidomethyl-3,4-dihydro-1H-isoquinoli...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CN=[N+]=[N-]
Show InChI InChI=1S/C21H25N5O2/c1-13-7-18(27)8-14(2)19(13)10-20(22)21(28)26-12-16-6-4-3-5-15(16)9-17(26)11-24-25-23/h3-8,17,20,27H,9-12,22H2,1-2H3/t17-,20-/m0/s1
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n/an/an/an/a 49n/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Agonist potency using GTP-gamma [35S]- binding assay for delta-opioid receptor


J Med Chem 44: 2387-90 (2001)

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


(Homo sapiens (Human))
BDBM50101612
PNG
(2-Amino-1-(3-benzyloxymethyl-3,4-dihydro-1H-isoqui...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1COCc1ccccc1
Show InChI InChI=1S/C28H32N2O3/c1-19-12-25(31)13-20(2)26(19)15-27(29)28(32)30-16-23-11-7-6-10-22(23)14-24(30)18-33-17-21-8-4-3-5-9-21/h3-13,24,27,31H,14-18,29H2,1-2H3/t24-,27-/m0/s1
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n/an/an/an/a 0.970n/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Agonist potency using GTP-gamma [35S]- binding assay for delta-opioid receptor


J Med Chem 44: 2387-90 (2001)

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


(Homo sapiens (Human))
BDBM50101628
PNG
(2-Amino-1-[3-(benzylamino-methyl)-3,4-dihydro-1H-i...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CNCc1ccccc1
Show InChI InChI=1S/C28H33N3O2/c1-19-12-25(32)13-20(2)26(19)15-27(29)28(33)31-18-23-11-7-6-10-22(23)14-24(31)17-30-16-21-8-4-3-5-9-21/h3-13,24,27,30,32H,14-18,29H2,1-2H3/t24-,27-/m0/s1
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n/an/an/an/a 37n/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Agonist potency using GTP-gamma [35S]- binding assay for mu-opioid receptor


J Med Chem 44: 2387-90 (2001)

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


(Homo sapiens (Human))
BDBM50101631
PNG
(1-{2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-pr...)
Show SMILES CCNC(=O)NC[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C
Show InChI InChI=1S/C24H32N4O3/c1-4-26-24(31)27-13-19-11-17-7-5-6-8-18(17)14-28(19)23(30)22(25)12-21-15(2)9-20(29)10-16(21)3/h5-10,19,22,29H,4,11-14,25H2,1-3H3,(H2,26,27,31)/t19-,22-/m0/s1
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n/an/an/an/a 5.70n/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Agonist potency using GTP-gamma [35S]- binding assay for delta-opioid receptor


J Med Chem 44: 2387-90 (2001)

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


(Homo sapiens (Human))
BDBM50101610
PNG
(2-Amino-1-{3-[(2,2-dimethyl-propylamino)-methyl]-3...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CNCC(C)(C)C
Show InChI InChI=1S/C26H37N3O2/c1-17-10-22(30)11-18(2)23(17)13-24(27)25(31)29-15-20-9-7-6-8-19(20)12-21(29)14-28-16-26(3,4)5/h6-11,21,24,28,30H,12-16,27H2,1-5H3/t21-,24-/m0/s1
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n/an/an/an/a 2.80n/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Agonist potency using GTP-gamma [35S]- binding assay for delta-opioid receptor


J Med Chem 44: 2387-90 (2001)

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


(Homo sapiens (Human))
BDBM50101610
PNG
(2-Amino-1-{3-[(2,2-dimethyl-propylamino)-methyl]-3...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CNCC(C)(C)C
Show InChI InChI=1S/C26H37N3O2/c1-17-10-22(30)11-18(2)23(17)13-24(27)25(31)29-15-20-9-7-6-8-19(20)12-21(29)14-28-16-26(3,4)5/h6-11,21,24,28,30H,12-16,27H2,1-5H3/t21-,24-/m0/s1
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n/an/an/an/a 1.40n/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Agonist potency using GTP-gamma [35S]- binding assay for opioid receptor kappa 1


J Med Chem 44: 2387-90 (2001)

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


(Homo sapiens (Human))
BDBM50101628
PNG
(2-Amino-1-[3-(benzylamino-methyl)-3,4-dihydro-1H-i...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CNCc1ccccc1
Show InChI InChI=1S/C28H33N3O2/c1-19-12-25(32)13-20(2)26(19)15-27(29)28(33)31-18-23-11-7-6-10-22(23)14-24(31)17-30-16-21-8-4-3-5-9-21/h3-13,24,27,30,32H,14-18,29H2,1-2H3/t24-,27-/m0/s1
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n/an/an/an/a 0.920n/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Agonist potency using GTP-gamma [35S]- binding assay for delta-opioid receptor


J Med Chem 44: 2387-90 (2001)

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


(Homo sapiens (Human))
BDBM50101609
PNG
(1-{2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-pr...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CNC(=S)Nc1ccccc1
Show InChI InChI=1S/C28H32N4O2S/c1-18-12-24(33)13-19(2)25(18)15-26(29)27(34)32-17-21-9-7-6-8-20(21)14-23(32)16-30-28(35)31-22-10-4-3-5-11-22/h3-13,23,26,33H,14-17,29H2,1-2H3,(H2,30,31,35)/t23-,26-/m0/s1
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n/an/an/an/a 1.70n/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Agonist potency using GTP-gamma [35S]- binding assay for delta-opioid receptor


J Med Chem 44: 2387-90 (2001)

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


(Homo sapiens (Human))
BDBM50101624
PNG
(1-{2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-pr...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CNC(=O)NC(C)(C)C
Show InChI InChI=1S/C26H36N4O3/c1-16-10-21(31)11-17(2)22(16)13-23(27)24(32)30-15-19-9-7-6-8-18(19)12-20(30)14-28-25(33)29-26(3,4)5/h6-11,20,23,31H,12-15,27H2,1-5H3,(H2,28,29,33)/t20-,23-/m0/s1
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n/an/an/an/a 0.650n/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Agonist potency using GTP-gamma [35S]- binding assay for delta-opioid receptor


J Med Chem 44: 2387-90 (2001)

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


(Homo sapiens (Human))
BDBM50101613
PNG
(1-{2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-pr...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CNC(=O)Nc1ccccc1
Show InChI InChI=1S/C28H32N4O3/c1-18-12-24(33)13-19(2)25(18)15-26(29)27(34)32-17-21-9-7-6-8-20(21)14-23(32)16-30-28(35)31-22-10-4-3-5-11-22/h3-13,23,26,33H,14-17,29H2,1-2H3,(H2,30,31,35)/t23-,26-/m0/s1
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n/an/an/an/a 19n/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Agonist potency using GTP-gamma [35S]- binding assay for mu-opioid receptor


J Med Chem 44: 2387-90 (2001)

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


(Homo sapiens (Human))
BDBM50101617
PNG
(1-Adamantan-1-yl-3-{2-[2-amino-3-(4-hydroxy-2,6-di...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:32:33:37:31.30.36,THB:32:31:37:33.38.34,34:35:30:33.38.32,34:33:30:35.37.36|
Show InChI InChI=1S/C32H42N4O3/c1-19-7-27(37)8-20(2)28(19)13-29(33)30(38)36-18-25-6-4-3-5-24(25)12-26(36)17-34-31(39)35-32-14-21-9-22(15-32)11-23(10-21)16-32/h3-8,21-23,26,29,37H,9-18,33H2,1-2H3,(H2,34,35,39)/t21?,22?,23?,26-,29-,32?/m0/s1
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n/an/an/an/a 12n/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Agonist potency using GTP-gamma [35S]- binding assay for opioid receptor kappa 1


J Med Chem 44: 2387-90 (2001)

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


(Homo sapiens (Human))
BDBM50001468
PNG
((S)-3-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C37H52N8O10/c1-19(2)30(36(54)40-18-28(39)47)45-37(55)31(20(3)4)44-35(53)27(17-29(48)49)43-34(52)26(16-22-9-7-6-8-10-22)42-32(50)21(5)41-33(51)25(38)15-23-11-13-24(46)14-12-23/h6-14,19-21,25-27,30-31,46H,15-18,38H2,1-5H3,(H2,39,47)(H,40,54)(H,41,51)(H,42,50)(H,43,52)(H,44,53)(H,45,55)(H,48,49)/t21-,25+,26+,27+,30+,31+/m1/s1
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n/an/an/an/a 4.70n/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Agonist potency using GTP-gamma [35S]- binding assay for delta-opioid receptor


J Med Chem 44: 2387-90 (2001)

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