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PubMed code 27079125

Compile data set for download or QSAR
Found 56 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))
BDBM50161762
PNG
(CHEMBL3785854)
Show SMILES [H]C12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)Cc1[nH]c4ccccc4c1C[C@@]23O |r,TLB:14:13:3.9.2:29|
Show InChI InChI=1/C26H28N2O2/c29-18-8-7-17-11-24-26(30)13-20-19-3-1-2-4-22(19)27-23(20)14-25(26,21(17)12-18)9-10-28(24)15-16-5-6-16/h1-4,7-8,12,16,24,27,29-30H,5-6,9-11,13-15H2/t24?,25-,26-/s2
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0.0945n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human delta opioid receptor expressed in CHO cell membranes


Bioorg Med Chem 24: 2199-205 (2016)

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


(Homo sapiens (Human))
BDBM50161765
PNG
(CHEMBL3787263)
Show SMILES [H]C12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)Cc1nc4ccccc4cc1C[C@@]23O |r,TLB:14:13:3.9.2:30|
Show InChI InChI=1/C27H28N2O2/c30-21-8-7-18-12-25-27(31)14-20-11-19-3-1-2-4-23(19)28-24(20)15-26(27,22(18)13-21)9-10-29(25)16-17-5-6-17/h1-4,7-8,11,13,17,25,30-31H,5-6,9-10,12,14-16H2/t25?,26-,27-/s2
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0.303n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human delta opioid receptor expressed in CHO cell membranes


Bioorg Med Chem 24: 2199-205 (2016)

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


(Homo sapiens (Human))
BDBM50161763
PNG
(CHEMBL3787016)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)Cc1[nH]c4ccccc4c1CC[C@@]23O |r,TLB:14:13:3.9.2:30|
Show InChI InChI=1/C27H30N2O2/c30-19-8-7-18-13-25-27(31)10-9-21-20-3-1-2-4-23(20)28-24(21)15-26(27,22(18)14-19)11-12-29(25)16-17-5-6-17/h1-4,7-8,14,17,25,28,30-31H,5-6,9-13,15-16H2/t25-,26-,27-/s2
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0.531n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human delta opioid receptor expressed in CHO cell membranes


Bioorg Med Chem 24: 2199-205 (2016)

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


(Homo sapiens (Human))
BDBM50161769
PNG
(CHEMBL3785265)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)CC(=O)\C(C[C@@]23O)=C/c1ccccc1 |r,TLB:24:23:3.9.2:13.12.11,14:13:3.9.2:23,22:23:3.9.2:13.12.11,THB:8:9:23:13.12.11|
Show InChI InChI=1/C27H29NO3/c29-22-9-8-20-13-25-27(31)15-21(12-18-4-2-1-3-5-18)24(30)16-26(27,23(20)14-22)10-11-28(25)17-19-6-7-19/h1-5,8-9,12,14,19,25,29,31H,6-7,10-11,13,15-17H2/b21-12-/t25-,26-,27-/s2
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0.585n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human delta opioid receptor expressed in CHO cell membranes


Bioorg Med Chem 24: 2199-205 (2016)

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


(Homo sapiens (Human))
BDBM50161768
PNG
(CHEMBL3786218)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)CC(=O)\C(CC[C@@]23O)=C\c1ccccc1 |r,TLB:14:13:3.9.2:24|
Show InChI InChI=1/C28H31NO3/c30-23-9-8-21-15-26-28(32)11-10-22(14-19-4-2-1-3-5-19)25(31)17-27(28,24(21)16-23)12-13-29(26)18-20-6-7-20/h1-5,8-9,14,16,20,26,30,32H,6-7,10-13,15,17-18H2/b22-14+/t26-,27-,28-/s2
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0.644n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human delta opioid receptor expressed in CHO cell membranes


Bioorg Med Chem 24: 2199-205 (2016)

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


(Homo sapiens (Human))
BDBM50347179
PNG
(CHEMBL1797689)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC(=O)CC[C@@]34O)c2c1 |r|
Show InChI InChI=1S/C20H25NO3/c22-15-4-3-14-9-18-20(24)6-5-16(23)11-19(20,17(14)10-15)7-8-21(18)12-13-1-2-13/h3-4,10,13,18,22,24H,1-2,5-9,11-12H2/t18-,19-,20-/m1/s1
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0.648n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69,593 from human kappa opioid receptor expressed in CHO cell membranes


Bioorg Med Chem 24: 2199-205 (2016)

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


(Homo sapiens (Human))
BDBM50161771
PNG
(CHEMBL3786675)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)CC(=O)CCC[C@@]23O |r,TLB:14:13:3.9.2:24|
Show InChI InChI=1/C21H27NO3/c23-16-6-5-15-10-19-21(25)7-1-2-17(24)12-20(21,18(15)11-16)8-9-22(19)13-14-3-4-14/h5-6,11,14,19,23,25H,1-4,7-10,12-13H2/t19-,20-,21-/s2
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0.692n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cell membranes


Bioorg Med Chem 24: 2199-205 (2016)

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


(Homo sapiens (Human))
BDBM50161771
PNG
(CHEMBL3786675)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)CC(=O)CCC[C@@]23O |r,TLB:14:13:3.9.2:24|
Show InChI InChI=1/C21H27NO3/c23-16-6-5-15-10-19-21(25)7-1-2-17(24)12-20(21,18(15)11-16)8-9-22(19)13-14-3-4-14/h5-6,11,14,19,23,25H,1-4,7-10,12-13H2/t19-,20-,21-/s2
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0.748n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69,593 from human kappa opioid receptor expressed in CHO cell membranes


Bioorg Med Chem 24: 2199-205 (2016)

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


(Homo sapiens (Human))
BDBM50347179
PNG
(CHEMBL1797689)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC(=O)CC[C@@]34O)c2c1 |r|
Show InChI InChI=1S/C20H25NO3/c22-15-4-3-14-9-18-20(24)6-5-16(23)11-19(20,17(14)10-15)7-8-21(18)12-13-1-2-13/h3-4,10,13,18,22,24H,1-2,5-9,11-12H2/t18-,19-,20-/m1/s1
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0.769n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cell membranes


Bioorg Med Chem 24: 2199-205 (2016)

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


(Homo sapiens (Human))
BDBM50161766
PNG
(CHEMBL3787663)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)Cc1nc4ccccc4cc1CC[C@@]23O |r,TLB:14:13:3.9.2:31|
Show InChI InChI=1/C28H30N2O2/c31-22-8-7-19-14-26-28(32)10-9-21-13-20-3-1-2-4-24(20)29-25(21)16-27(28,23(19)15-22)11-12-30(26)17-18-5-6-18/h1-4,7-8,13,15,18,26,31-32H,5-6,9-12,14,16-17H2/t26-,27-,28-/s2
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2.30n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human delta opioid receptor expressed in CHO cell membranes


Bioorg Med Chem 24: 2199-205 (2016)

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


(Homo sapiens (Human))
BDBM50347179
PNG
(CHEMBL1797689)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC(=O)CC[C@@]34O)c2c1 |r|
Show InChI InChI=1S/C20H25NO3/c22-15-4-3-14-9-18-20(24)6-5-16(23)11-19(20,17(14)10-15)7-8-21(18)12-13-1-2-13/h3-4,10,13,18,22,24H,1-2,5-9,11-12H2/t18-,19-,20-/m1/s1
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2.60n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human delta opioid receptor expressed in CHO cell membranes


Bioorg Med Chem 24: 2199-205 (2016)

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


(Homo sapiens (Human))
BDBM50161767
PNG
(CHEMBL3786970)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)CC(=O)\C(C[C@@]23O)=C\c1ccccc1 |r,TLB:24:23:3.9.2:13.12.11,14:13:3.9.2:23,22:23:3.9.2:13.12.11,THB:8:9:23:13.12.11|
Show InChI InChI=1/C27H29NO3/c29-22-9-8-20-13-25-27(31)15-21(12-18-4-2-1-3-5-18)24(30)16-26(27,23(20)14-22)10-11-28(25)17-19-6-7-19/h1-5,8-9,12,14,19,25,29,31H,6-7,10-11,13,15-17H2/b21-12+/t25-,26-,27-/s2
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2.80n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human delta opioid receptor expressed in CHO cell membranes


Bioorg Med Chem 24: 2199-205 (2016)

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


(Homo sapiens (Human))
BDBM50161762
PNG
(CHEMBL3785854)
Show SMILES [H]C12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)Cc1[nH]c4ccccc4c1C[C@@]23O |r,TLB:14:13:3.9.2:29|
Show InChI InChI=1/C26H28N2O2/c29-18-8-7-17-11-24-26(30)13-20-19-3-1-2-4-22(19)27-23(20)14-25(26,21(17)12-18)9-10-28(24)15-16-5-6-16/h1-4,7-8,12,16,24,27,29-30H,5-6,9-11,13-15H2/t24?,25-,26-/s2
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3n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69,593 from human kappa opioid receptor expressed in CHO cell membranes


Bioorg Med Chem 24: 2199-205 (2016)

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


(Homo sapiens (Human))
BDBM50161765
PNG
(CHEMBL3787263)
Show SMILES [H]C12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)Cc1nc4ccccc4cc1C[C@@]23O |r,TLB:14:13:3.9.2:30|
Show InChI InChI=1/C27H28N2O2/c30-21-8-7-18-12-25-27(31)14-20-11-19-3-1-2-4-23(19)28-24(20)15-26(27,22(18)13-21)9-10-29(25)16-17-5-6-17/h1-4,7-8,11,13,17,25,30-31H,5-6,9-10,12,14-16H2/t25?,26-,27-/s2
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3.20n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69,593 from human kappa opioid receptor expressed in CHO cell membranes


Bioorg Med Chem 24: 2199-205 (2016)

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


(Homo sapiens (Human))
BDBM50454798
PNG
(7-Benzylidenenaltrexone | BNTX)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)C\C(=C/c1ccccc1)C2=O)ccc3O |r,THB:10:9:17:6.5.4|
Show InChI InChI=1S/C27H27NO4/c29-20-9-8-18-13-21-27(31)14-19(12-16-4-2-1-3-5-16)23(30)25-26(27,22(18)24(20)32-25)10-11-28(21)15-17-6-7-17/h1-5,8-9,12,17,21,25,29,31H,6-7,10-11,13-15H2/b19-12+/t21-,25+,26+,27-/m1/s1
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3.5n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human delta opioid receptor expressed in CHO cell membranes


Bioorg Med Chem 24: 2199-205 (2016)

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


(Homo sapiens (Human))
BDBM50161766
PNG
(CHEMBL3787663)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)Cc1nc4ccccc4cc1CC[C@@]23O |r,TLB:14:13:3.9.2:31|
Show InChI InChI=1/C28H30N2O2/c31-22-8-7-19-14-26-28(32)10-9-21-13-20-3-1-2-4-24(20)29-25(21)16-27(28,23(19)15-22)11-12-30(26)17-18-5-6-18/h1-4,7-8,13,15,18,26,31-32H,5-6,9-12,14,16-17H2/t26-,27-,28-/s2
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4.30n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69,593 from human kappa opioid receptor expressed in CHO cell membranes


Bioorg Med Chem 24: 2199-205 (2016)

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


(Homo sapiens (Human))
BDBM50161769
PNG
(CHEMBL3785265)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)CC(=O)\C(C[C@@]23O)=C/c1ccccc1 |r,TLB:24:23:3.9.2:13.12.11,14:13:3.9.2:23,22:23:3.9.2:13.12.11,THB:8:9:23:13.12.11|
Show InChI InChI=1/C27H29NO3/c29-22-9-8-20-13-25-27(31)15-21(12-18-4-2-1-3-5-18)24(30)16-26(27,23(20)14-22)10-11-28(25)17-19-6-7-19/h1-5,8-9,12,14,19,25,29,31H,6-7,10-11,13,15-17H2/b21-12-/t25-,26-,27-/s2
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4.60n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cell membranes


Bioorg Med Chem 24: 2199-205 (2016)

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


(Homo sapiens (Human))
BDBM50161763
PNG
(CHEMBL3787016)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)Cc1[nH]c4ccccc4c1CC[C@@]23O |r,TLB:14:13:3.9.2:30|
Show InChI InChI=1/C27H30N2O2/c30-19-8-7-18-13-25-27(31)10-9-21-20-3-1-2-4-23(20)28-24(21)15-26(27,22(18)14-19)11-12-29(25)16-17-5-6-17/h1-4,7-8,14,17,25,28,30-31H,5-6,9-13,15-16H2/t25-,26-,27-/s2
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5.80n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cell membranes


Bioorg Med Chem 24: 2199-205 (2016)

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


(Homo sapiens (Human))
BDBM50161768
PNG
(CHEMBL3786218)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)CC(=O)\C(CC[C@@]23O)=C\c1ccccc1 |r,TLB:14:13:3.9.2:24|
Show InChI InChI=1/C28H31NO3/c30-23-9-8-21-15-26-28(32)11-10-22(14-19-4-2-1-3-5-19)25(31)17-27(28,24(21)16-23)12-13-29(26)18-20-6-7-20/h1-5,8-9,14,16,20,26,30,32H,6-7,10-13,15,17-18H2/b22-14+/t26-,27-,28-/s2
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5.80n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cell membranes


Bioorg Med Chem 24: 2199-205 (2016)

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


(Homo sapiens (Human))
BDBM50161763
PNG
(CHEMBL3787016)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)Cc1[nH]c4ccccc4c1CC[C@@]23O |r,TLB:14:13:3.9.2:30|
Show InChI InChI=1/C27H30N2O2/c30-19-8-7-18-13-25-27(31)10-9-21-20-3-1-2-4-23(20)28-24(21)15-26(27,22(18)14-19)11-12-29(25)16-17-5-6-17/h1-4,7-8,14,17,25,28,30-31H,5-6,9-13,15-16H2/t25-,26-,27-/s2
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6.60n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69,593 from human kappa opioid receptor expressed in CHO cell membranes


Bioorg Med Chem 24: 2199-205 (2016)

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


(Homo sapiens (Human))
BDBM50161765
PNG
(CHEMBL3787263)
Show SMILES [H]C12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)Cc1nc4ccccc4cc1C[C@@]23O |r,TLB:14:13:3.9.2:30|
Show InChI InChI=1/C27H28N2O2/c30-21-8-7-18-12-25-27(31)14-20-11-19-3-1-2-4-23(19)28-24(20)15-26(27,22(18)13-21)9-10-29(25)16-17-5-6-17/h1-4,7-8,11,13,17,25,30-31H,5-6,9-10,12,14-16H2/t25?,26-,27-/s2
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7.20n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cell membranes


Bioorg Med Chem 24: 2199-205 (2016)

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


(Homo sapiens (Human))
BDBM50161768
PNG
(CHEMBL3786218)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)CC(=O)\C(CC[C@@]23O)=C\c1ccccc1 |r,TLB:14:13:3.9.2:24|
Show InChI InChI=1/C28H31NO3/c30-23-9-8-21-15-26-28(32)11-10-22(14-19-4-2-1-3-5-19)25(31)17-27(28,24(21)16-23)12-13-29(26)18-20-6-7-20/h1-5,8-9,14,16,20,26,30,32H,6-7,10-13,15,17-18H2/b22-14+/t26-,27-,28-/s2
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9.10n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69,593 from human kappa opioid receptor expressed in CHO cell membranes


Bioorg Med Chem 24: 2199-205 (2016)

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


(Homo sapiens (Human))
BDBM50161769
PNG
(CHEMBL3785265)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)CC(=O)\C(C[C@@]23O)=C/c1ccccc1 |r,TLB:24:23:3.9.2:13.12.11,14:13:3.9.2:23,22:23:3.9.2:13.12.11,THB:8:9:23:13.12.11|
Show InChI InChI=1/C27H29NO3/c29-22-9-8-20-13-25-27(31)15-21(12-18-4-2-1-3-5-18)24(30)16-26(27,23(20)14-22)10-11-28(25)17-19-6-7-19/h1-5,8-9,12,14,19,25,29,31H,6-7,10-11,13,15-17H2/b21-12-/t25-,26-,27-/s2
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9.70n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69,593 from human kappa opioid receptor expressed in CHO cell membranes


Bioorg Med Chem 24: 2199-205 (2016)

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


(Homo sapiens (Human))
BDBM50161770
PNG
(CHEMBL3786083)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)CC(=O)\C(CC[C@@]23O)=C/c1ccccc1 |r,TLB:14:13:3.9.2:24|
Show InChI InChI=1/C28H31NO3/c30-23-9-8-21-15-26-28(32)11-10-22(14-19-4-2-1-3-5-19)25(31)17-27(28,24(21)16-23)12-13-29(26)18-20-6-7-20/h1-5,8-9,14,16,20,26,30,32H,6-7,10-13,15,17-18H2/b22-14-/t26-,27-,28-/s2
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9.80n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human delta opioid receptor expressed in CHO cell membranes


Bioorg Med Chem 24: 2199-205 (2016)

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


(Homo sapiens (Human))
BDBM50454798
PNG
(7-Benzylidenenaltrexone | BNTX)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)C\C(=C/c1ccccc1)C2=O)ccc3O |r,THB:10:9:17:6.5.4|
Show InChI InChI=1S/C27H27NO4/c29-20-9-8-18-13-21-27(31)14-19(12-16-4-2-1-3-5-16)23(30)25-26(27,22(18)24(20)32-25)10-11-28(21)15-17-6-7-17/h1-5,8-9,12,17,21,25,29,31H,6-7,10-11,13-15H2/b19-12+/t21-,25+,26+,27-/m1/s1
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11n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cell membranes


Bioorg Med Chem 24: 2199-205 (2016)

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


(Homo sapiens (Human))
BDBM50161771
PNG
(CHEMBL3786675)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)CC(=O)CCC[C@@]23O |r,TLB:14:13:3.9.2:24|
Show InChI InChI=1/C21H27NO3/c23-16-6-5-15-10-19-21(25)7-1-2-17(24)12-20(21,18(15)11-16)8-9-22(19)13-14-3-4-14/h5-6,11,14,19,23,25H,1-4,7-10,12-13H2/t19-,20-,21-/s2
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12n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human delta opioid receptor expressed in CHO cell membranes


Bioorg Med Chem 24: 2199-205 (2016)

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


(Homo sapiens (Human))
BDBM50161770
PNG
(CHEMBL3786083)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)CC(=O)\C(CC[C@@]23O)=C/c1ccccc1 |r,TLB:14:13:3.9.2:24|
Show InChI InChI=1/C28H31NO3/c30-23-9-8-21-15-26-28(32)11-10-22(14-19-4-2-1-3-5-19)25(31)17-27(28,24(21)16-23)12-13-29(26)18-20-6-7-20/h1-5,8-9,14,16,20,26,30,32H,6-7,10-13,15,17-18H2/b22-14-/t26-,27-,28-/s2
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18n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69,593 from human kappa opioid receptor expressed in CHO cell membranes


Bioorg Med Chem 24: 2199-205 (2016)

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


(Homo sapiens (Human))
BDBM50161766
PNG
(CHEMBL3787663)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)Cc1nc4ccccc4cc1CC[C@@]23O |r,TLB:14:13:3.9.2:31|
Show InChI InChI=1/C28H30N2O2/c31-22-8-7-19-14-26-28(32)10-9-21-13-20-3-1-2-4-24(20)29-25(21)16-27(28,23(19)15-22)11-12-30(26)17-18-5-6-18/h1-4,7-8,13,15,18,26,31-32H,5-6,9-12,14,16-17H2/t26-,27-,28-/s2
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18n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cell membranes


Bioorg Med Chem 24: 2199-205 (2016)

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


(Homo sapiens (Human))
BDBM50161767
PNG
(CHEMBL3786970)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)CC(=O)\C(C[C@@]23O)=C\c1ccccc1 |r,TLB:24:23:3.9.2:13.12.11,14:13:3.9.2:23,22:23:3.9.2:13.12.11,THB:8:9:23:13.12.11|
Show InChI InChI=1/C27H29NO3/c29-22-9-8-20-13-25-27(31)15-21(12-18-4-2-1-3-5-18)24(30)16-26(27,23(20)14-22)10-11-28(25)17-19-6-7-19/h1-5,8-9,12,14,19,25,29,31H,6-7,10-11,13,15-17H2/b21-12+/t25-,26-,27-/s2
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22n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cell membranes


Bioorg Med Chem 24: 2199-205 (2016)

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


(Homo sapiens (Human))
BDBM50161762
PNG
(CHEMBL3785854)
Show SMILES [H]C12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)Cc1[nH]c4ccccc4c1C[C@@]23O |r,TLB:14:13:3.9.2:29|
Show InChI InChI=1/C26H28N2O2/c29-18-8-7-17-11-24-26(30)13-20-19-3-1-2-4-22(19)27-23(20)14-25(26,21(17)12-18)9-10-28(24)15-16-5-6-16/h1-4,7-8,12,16,24,27,29-30H,5-6,9-11,13-15H2/t24?,25-,26-/s2
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25n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cell membranes


Bioorg Med Chem 24: 2199-205 (2016)

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


(Homo sapiens (Human))
BDBM50454798
PNG
(7-Benzylidenenaltrexone | BNTX)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)C\C(=C/c1ccccc1)C2=O)ccc3O |r,THB:10:9:17:6.5.4|
Show InChI InChI=1S/C27H27NO4/c29-20-9-8-18-13-21-27(31)14-19(12-16-4-2-1-3-5-16)23(30)25-26(27,22(18)24(20)32-25)10-11-28(21)15-17-6-7-17/h1-5,8-9,12,17,21,25,29,31H,6-7,10-11,13-15H2/b19-12+/t21-,25+,26+,27-/m1/s1
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28n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69,593 from human kappa opioid receptor expressed in CHO cell membranes


Bioorg Med Chem 24: 2199-205 (2016)

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


(Homo sapiens (Human))
BDBM50161767
PNG
(CHEMBL3786970)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)CC(=O)\C(C[C@@]23O)=C\c1ccccc1 |r,TLB:24:23:3.9.2:13.12.11,14:13:3.9.2:23,22:23:3.9.2:13.12.11,THB:8:9:23:13.12.11|
Show InChI InChI=1/C27H29NO3/c29-22-9-8-20-13-25-27(31)15-21(12-18-4-2-1-3-5-18)24(30)16-26(27,23(20)14-22)10-11-28(25)17-19-6-7-19/h1-5,8-9,12,14,19,25,29,31H,6-7,10-11,13,15-17H2/b21-12+/t25-,26-,27-/s2
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39n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69,593 from human kappa opioid receptor expressed in CHO cell membranes


Bioorg Med Chem 24: 2199-205 (2016)

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


(Homo sapiens (Human))
BDBM50161770
PNG
(CHEMBL3786083)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)CC(=O)\C(CC[C@@]23O)=C/c1ccccc1 |r,TLB:14:13:3.9.2:24|
Show InChI InChI=1/C28H31NO3/c30-23-9-8-21-15-26-28(32)11-10-22(14-19-4-2-1-3-5-19)25(31)17-27(28,24(21)16-23)12-13-29(26)18-20-6-7-20/h1-5,8-9,14,16,20,26,30,32H,6-7,10-13,15,17-18H2/b22-14-/t26-,27-,28-/s2
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52n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cell membranes


Bioorg Med Chem 24: 2199-205 (2016)

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


(Homo sapiens (Human))
BDBM50161767
PNG
(CHEMBL3786970)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)CC(=O)\C(C[C@@]23O)=C\c1ccccc1 |r,TLB:24:23:3.9.2:13.12.11,14:13:3.9.2:23,22:23:3.9.2:13.12.11,THB:8:9:23:13.12.11|
Show InChI InChI=1/C27H29NO3/c29-22-9-8-20-13-25-27(31)15-21(12-18-4-2-1-3-5-18)24(30)16-26(27,23(20)14-22)10-11-28(25)17-19-6-7-19/h1-5,8-9,12,14,19,25,29,31H,6-7,10-11,13,15-17H2/b21-12+/t25-,26-,27-/s2
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n/an/an/an/a>1.00E+4n/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHO cell membranes by [35S]GTPgammaS binding assay


Bioorg Med Chem 24: 2199-205 (2016)

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


(Homo sapiens (Human))
BDBM50161767
PNG
(CHEMBL3786970)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)CC(=O)\C(C[C@@]23O)=C\c1ccccc1 |r,TLB:24:23:3.9.2:13.12.11,14:13:3.9.2:23,22:23:3.9.2:13.12.11,THB:8:9:23:13.12.11|
Show InChI InChI=1/C27H29NO3/c29-22-9-8-20-13-25-27(31)15-21(12-18-4-2-1-3-5-18)24(30)16-26(27,23(20)14-22)10-11-28(25)17-19-6-7-19/h1-5,8-9,12,14,19,25,29,31H,6-7,10-11,13,15-17H2/b21-12+/t25-,26-,27-/s2
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n/an/an/an/a 8n/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in CHO cell membranes by [35S]GTPgammaS binding assay


Bioorg Med Chem 24: 2199-205 (2016)

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


(Homo sapiens (Human))
BDBM50161765
PNG
(CHEMBL3787263)
Show SMILES [H]C12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)Cc1nc4ccccc4cc1C[C@@]23O |r,TLB:14:13:3.9.2:30|
Show InChI InChI=1/C27H28N2O2/c30-21-8-7-18-12-25-27(31)14-20-11-19-3-1-2-4-23(19)28-24(20)15-26(27,22(18)13-21)9-10-29(25)16-17-5-6-17/h1-4,7-8,11,13,17,25,30-31H,5-6,9-10,12,14-16H2/t25?,26-,27-/s2
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n/an/an/an/a>1.00E+4n/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in CHO cell membranes by [35S]GTPgammaS binding assay


Bioorg Med Chem 24: 2199-205 (2016)

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


(Homo sapiens (Human))
BDBM50161767
PNG
(CHEMBL3786970)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)CC(=O)\C(C[C@@]23O)=C\c1ccccc1 |r,TLB:24:23:3.9.2:13.12.11,14:13:3.9.2:23,22:23:3.9.2:13.12.11,THB:8:9:23:13.12.11|
Show InChI InChI=1/C27H29NO3/c29-22-9-8-20-13-25-27(31)15-21(12-18-4-2-1-3-5-18)24(30)16-26(27,23(20)14-22)10-11-28(25)17-19-6-7-19/h1-5,8-9,12,14,19,25,29,31H,6-7,10-11,13,15-17H2/b21-12+/t25-,26-,27-/s2
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n/an/an/an/a 13n/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Agonist activity at human delta opioid receptor expressed in CHO cell membranes by [35S]GTPgammaS binding assay


Bioorg Med Chem 24: 2199-205 (2016)

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


(Homo sapiens (Human))
BDBM50161766
PNG
(CHEMBL3787663)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)Cc1nc4ccccc4cc1CC[C@@]23O |r,TLB:14:13:3.9.2:31|
Show InChI InChI=1/C28H30N2O2/c31-22-8-7-19-14-26-28(32)10-9-21-13-20-3-1-2-4-24(20)29-25(21)16-27(28,23(19)15-22)11-12-30(26)17-18-5-6-18/h1-4,7-8,13,15,18,26,31-32H,5-6,9-12,14,16-17H2/t26-,27-,28-/s2
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n/an/an/an/a 12n/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHO cell membranes by [35S]GTPgammaS binding assay


Bioorg Med Chem 24: 2199-205 (2016)

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


(Homo sapiens (Human))
BDBM50161763
PNG
(CHEMBL3787016)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)Cc1[nH]c4ccccc4c1CC[C@@]23O |r,TLB:14:13:3.9.2:30|
Show InChI InChI=1/C27H30N2O2/c30-19-8-7-18-13-25-27(31)10-9-21-20-3-1-2-4-23(20)28-24(21)15-26(27,22(18)14-19)11-12-29(25)16-17-5-6-17/h1-4,7-8,14,17,25,28,30-31H,5-6,9-13,15-16H2/t25-,26-,27-/s2
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n/an/an/an/a 6.20n/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHO cell membranes by [35S]GTPgammaS binding assay


Bioorg Med Chem 24: 2199-205 (2016)

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


(Homo sapiens (Human))
BDBM50161766
PNG
(CHEMBL3787663)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)Cc1nc4ccccc4cc1CC[C@@]23O |r,TLB:14:13:3.9.2:31|
Show InChI InChI=1/C28H30N2O2/c31-22-8-7-19-14-26-28(32)10-9-21-13-20-3-1-2-4-24(20)29-25(21)16-27(28,23(19)15-22)11-12-30(26)17-18-5-6-18/h1-4,7-8,13,15,18,26,31-32H,5-6,9-12,14,16-17H2/t26-,27-,28-/s2
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n/an/an/an/a 28n/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in CHO cell membranes by [35S]GTPgammaS binding assay


Bioorg Med Chem 24: 2199-205 (2016)

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


(Homo sapiens (Human))
BDBM50161765
PNG
(CHEMBL3787263)
Show SMILES [H]C12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)Cc1nc4ccccc4cc1C[C@@]23O |r,TLB:14:13:3.9.2:30|
Show InChI InChI=1/C27H28N2O2/c30-21-8-7-18-12-25-27(31)14-20-11-19-3-1-2-4-23(19)28-24(20)15-26(27,22(18)13-21)9-10-29(25)16-17-5-6-17/h1-4,7-8,11,13,17,25,30-31H,5-6,9-10,12,14-16H2/t25?,26-,27-/s2
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n/an/an/an/a 0.813n/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Agonist activity at human delta opioid receptor expressed in CHO cell membranes by [35S]GTPgammaS binding assay


Bioorg Med Chem 24: 2199-205 (2016)

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


(Homo sapiens (Human))
BDBM50161765
PNG
(CHEMBL3787263)
Show SMILES [H]C12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)Cc1nc4ccccc4cc1C[C@@]23O |r,TLB:14:13:3.9.2:30|
Show InChI InChI=1/C27H28N2O2/c30-21-8-7-18-12-25-27(31)14-20-11-19-3-1-2-4-23(19)28-24(20)15-26(27,22(18)13-21)9-10-29(25)16-17-5-6-17/h1-4,7-8,11,13,17,25,30-31H,5-6,9-10,12,14-16H2/t25?,26-,27-/s2
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n/an/an/an/a>1.00E+4n/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHO cell membranes by [35S]GTPgammaS binding assay


Bioorg Med Chem 24: 2199-205 (2016)

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


(Homo sapiens (Human))
BDBM50161763
PNG
(CHEMBL3787016)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)Cc1[nH]c4ccccc4c1CC[C@@]23O |r,TLB:14:13:3.9.2:30|
Show InChI InChI=1/C27H30N2O2/c30-19-8-7-18-13-25-27(31)10-9-21-20-3-1-2-4-23(20)28-24(21)15-26(27,22(18)14-19)11-12-29(25)16-17-5-6-17/h1-4,7-8,14,17,25,28,30-31H,5-6,9-13,15-16H2/t25-,26-,27-/s2
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n/an/an/an/a 3.20n/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in CHO cell membranes by [35S]GTPgammaS binding assay


Bioorg Med Chem 24: 2199-205 (2016)

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


(Homo sapiens (Human))
BDBM50161762
PNG
(CHEMBL3785854)
Show SMILES [H]C12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)Cc1[nH]c4ccccc4c1C[C@@]23O |r,TLB:14:13:3.9.2:29|
Show InChI InChI=1/C26H28N2O2/c29-18-8-7-17-11-24-26(30)13-20-19-3-1-2-4-22(19)27-23(20)14-25(26,21(17)12-18)9-10-28(24)15-16-5-6-16/h1-4,7-8,12,16,24,27,29-30H,5-6,9-11,13-15H2/t24?,25-,26-/s2
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n/an/an/an/a 3.80n/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in CHO cell membranes by [35S]GTPgammaS binding assay


Bioorg Med Chem 24: 2199-205 (2016)

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


(Homo sapiens (Human))
BDBM50161770
PNG
(CHEMBL3786083)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)CC(=O)\C(CC[C@@]23O)=C/c1ccccc1 |r,TLB:14:13:3.9.2:24|
Show InChI InChI=1/C28H31NO3/c30-23-9-8-21-15-26-28(32)11-10-22(14-19-4-2-1-3-5-19)25(31)17-27(28,24(21)16-23)12-13-29(26)18-20-6-7-20/h1-5,8-9,14,16,20,26,30,32H,6-7,10-13,15,17-18H2/b22-14-/t26-,27-,28-/s2
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n/an/an/an/a 1.80n/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Agonist activity at human delta opioid receptor expressed in CHO cell membranes by [35S]GTPgammaS binding assay


Bioorg Med Chem 24: 2199-205 (2016)

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


(Homo sapiens (Human))
BDBM50161769
PNG
(CHEMBL3785265)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)CC(=O)\C(C[C@@]23O)=C/c1ccccc1 |r,TLB:24:23:3.9.2:13.12.11,14:13:3.9.2:23,22:23:3.9.2:13.12.11,THB:8:9:23:13.12.11|
Show InChI InChI=1/C27H29NO3/c29-22-9-8-20-13-25-27(31)15-21(12-18-4-2-1-3-5-18)24(30)16-26(27,23(20)14-22)10-11-28(25)17-19-6-7-19/h1-5,8-9,12,14,19,25,29,31H,6-7,10-11,13,15-17H2/b21-12-/t25-,26-,27-/s2
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n/an/an/an/a 55n/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHO cell membranes by [35S]GTPgammaS binding assay


Bioorg Med Chem 24: 2199-205 (2016)

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


(Homo sapiens (Human))
BDBM50161768
PNG
(CHEMBL3786218)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)CC(=O)\C(CC[C@@]23O)=C\c1ccccc1 |r,TLB:14:13:3.9.2:24|
Show InChI InChI=1/C28H31NO3/c30-23-9-8-21-15-26-28(32)11-10-22(14-19-4-2-1-3-5-19)25(31)17-27(28,24(21)16-23)12-13-29(26)18-20-6-7-20/h1-5,8-9,14,16,20,26,30,32H,6-7,10-13,15,17-18H2/b22-14+/t26-,27-,28-/s2
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n/an/an/an/a 15n/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in CHO cell membranes by [35S]GTPgammaS binding assay


Bioorg Med Chem 24: 2199-205 (2016)

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


(Homo sapiens (Human))
BDBM50161766
PNG
(CHEMBL3787663)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)Cc1nc4ccccc4cc1CC[C@@]23O |r,TLB:14:13:3.9.2:31|
Show InChI InChI=1/C28H30N2O2/c31-22-8-7-19-14-26-28(32)10-9-21-13-20-3-1-2-4-24(20)29-25(21)16-27(28,23(19)15-22)11-12-30(26)17-18-5-6-18/h1-4,7-8,13,15,18,26,31-32H,5-6,9-12,14,16-17H2/t26-,27-,28-/s2
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n/an/an/an/a 7.30n/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Agonist activity at human delta opioid receptor expressed in CHO cell membranes by [35S]GTPgammaS binding assay


Bioorg Med Chem 24: 2199-205 (2016)

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


(Homo sapiens (Human))
BDBM50161769
PNG
(CHEMBL3785265)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)CC(=O)\C(C[C@@]23O)=C/c1ccccc1 |r,TLB:24:23:3.9.2:13.12.11,14:13:3.9.2:23,22:23:3.9.2:13.12.11,THB:8:9:23:13.12.11|
Show InChI InChI=1/C27H29NO3/c29-22-9-8-20-13-25-27(31)15-21(12-18-4-2-1-3-5-18)24(30)16-26(27,23(20)14-22)10-11-28(25)17-19-6-7-19/h1-5,8-9,12,14,19,25,29,31H,6-7,10-11,13,15-17H2/b21-12-/t25-,26-,27-/s2
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n/an/an/an/a 3.20n/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Agonist activity at human delta opioid receptor expressed in CHO cell membranes by [35S]GTPgammaS binding assay


Bioorg Med Chem 24: 2199-205 (2016)

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


(Homo sapiens (Human))
BDBM50161762
PNG
(CHEMBL3785854)
Show SMILES [H]C12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)Cc1[nH]c4ccccc4c1C[C@@]23O |r,TLB:14:13:3.9.2:29|
Show InChI InChI=1/C26H28N2O2/c29-18-8-7-17-11-24-26(30)13-20-19-3-1-2-4-22(19)27-23(20)14-25(26,21(17)12-18)9-10-28(24)15-16-5-6-16/h1-4,7-8,12,16,24,27,29-30H,5-6,9-11,13-15H2/t24?,25-,26-/s2
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n/an/an/an/a>1.00E+4n/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHO cell membranes by [35S]GTPgammaS binding assay


Bioorg Med Chem 24: 2199-205 (2016)

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


(Homo sapiens (Human))
BDBM50161769
PNG
(CHEMBL3785265)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)CC(=O)\C(C[C@@]23O)=C/c1ccccc1 |r,TLB:24:23:3.9.2:13.12.11,14:13:3.9.2:23,22:23:3.9.2:13.12.11,THB:8:9:23:13.12.11|
Show InChI InChI=1/C27H29NO3/c29-22-9-8-20-13-25-27(31)15-21(12-18-4-2-1-3-5-18)24(30)16-26(27,23(20)14-22)10-11-28(25)17-19-6-7-19/h1-5,8-9,12,14,19,25,29,31H,6-7,10-11,13,15-17H2/b21-12-/t25-,26-,27-/s2
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n/an/an/an/a>1.00E+4n/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in CHO cell membranes by [35S]GTPgammaS binding assay


Bioorg Med Chem 24: 2199-205 (2016)

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


(Homo sapiens (Human))
BDBM50161763
PNG
(CHEMBL3787016)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)Cc1[nH]c4ccccc4c1CC[C@@]23O |r,TLB:14:13:3.9.2:30|
Show InChI InChI=1/C27H30N2O2/c30-19-8-7-18-13-25-27(31)10-9-21-20-3-1-2-4-23(20)28-24(21)15-26(27,22(18)14-19)11-12-29(25)16-17-5-6-17/h1-4,7-8,14,17,25,28,30-31H,5-6,9-13,15-16H2/t25-,26-,27-/s2
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n/an/an/an/a 1.10n/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Agonist activity at human delta opioid receptor expressed in CHO cell membranes by [35S]GTPgammaS binding assay


Bioorg Med Chem 24: 2199-205 (2016)

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


(Homo sapiens (Human))
BDBM50161762
PNG
(CHEMBL3785854)
Show SMILES [H]C12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)Cc1[nH]c4ccccc4c1C[C@@]23O |r,TLB:14:13:3.9.2:29|
Show InChI InChI=1/C26H28N2O2/c29-18-8-7-17-11-24-26(30)13-20-19-3-1-2-4-22(19)27-23(20)14-25(26,21(17)12-18)9-10-28(24)15-16-5-6-16/h1-4,7-8,12,16,24,27,29-30H,5-6,9-11,13-15H2/t24?,25-,26-/s2
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n/an/an/an/a 1.40n/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Agonist activity at human delta opioid receptor expressed in CHO cell membranes by [35S]GTPgammaS binding assay


Bioorg Med Chem 24: 2199-205 (2016)

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


(Homo sapiens (Human))
BDBM50161770
PNG
(CHEMBL3786083)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)CC(=O)\C(CC[C@@]23O)=C/c1ccccc1 |r,TLB:14:13:3.9.2:24|
Show InChI InChI=1/C28H31NO3/c30-23-9-8-21-15-26-28(32)11-10-22(14-19-4-2-1-3-5-19)25(31)17-27(28,24(21)16-23)12-13-29(26)18-20-6-7-20/h1-5,8-9,14,16,20,26,30,32H,6-7,10-13,15,17-18H2/b22-14-/t26-,27-,28-/s2
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n/an/an/an/a 19n/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHO cell membranes by [35S]GTPgammaS binding assay


Bioorg Med Chem 24: 2199-205 (2016)

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


(Homo sapiens (Human))
BDBM50161770
PNG
(CHEMBL3786083)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)CC(=O)\C(CC[C@@]23O)=C/c1ccccc1 |r,TLB:14:13:3.9.2:24|
Show InChI InChI=1/C28H31NO3/c30-23-9-8-21-15-26-28(32)11-10-22(14-19-4-2-1-3-5-19)25(31)17-27(28,24(21)16-23)12-13-29(26)18-20-6-7-20/h1-5,8-9,14,16,20,26,30,32H,6-7,10-13,15,17-18H2/b22-14-/t26-,27-,28-/s2
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n/an/an/an/a 21n/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in CHO cell membranes by [35S]GTPgammaS binding assay


Bioorg Med Chem 24: 2199-205 (2016)

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


(Homo sapiens (Human))
BDBM50161768
PNG
(CHEMBL3786218)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)CC(=O)\C(CC[C@@]23O)=C\c1ccccc1 |r,TLB:14:13:3.9.2:24|
Show InChI InChI=1/C28H31NO3/c30-23-9-8-21-15-26-28(32)11-10-22(14-19-4-2-1-3-5-19)25(31)17-27(28,24(21)16-23)12-13-29(26)18-20-6-7-20/h1-5,8-9,14,16,20,26,30,32H,6-7,10-13,15,17-18H2/b22-14+/t26-,27-,28-/s2
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n/an/an/an/a>1.00E+4n/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Agonist activity at human delta opioid receptor expressed in CHO cell membranes by [35S]GTPgammaS binding assay


Bioorg Med Chem 24: 2199-205 (2016)

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