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PubMed code 11311071

Compile data set for download or QSAR
Found 53 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


(MOUSE)		BDBM50370067
PNG
(CHEMBL1237164)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O |r,TLB:28:29:7.12.13:4.5.18,30:29:7.12.13:4.5.18|
Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24+,25+,26-/m1/s1
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 0.0300n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Antagonist activity of compound on agonist stimulated [35S]GTP-gamma-S binding on delta-opioid receptor

J Med Chem 44: 1471-4 (2001)


BindingDB Entry DOI: 10.7270/Q2PK0GVP
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Delta-type opioid receptor


(MOUSE)		BDBM50370067
PNG
(CHEMBL1237164)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O |r,TLB:28:29:7.12.13:4.5.18,30:29:7.12.13:4.5.18|
Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24+,25+,26-/m1/s1
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 0.220n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]DADLE at delta-opioid receptor

J Med Chem 44: 1471-4 (2001)


BindingDB Entry DOI: 10.7270/Q2PK0GVP
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Delta-type opioid receptor


(MOUSE)		BDBM50098674
PNG
((E)-17-(2-butenyl)-6,7-dehydro-4,5alpha-epoxy-3,14...)
Show SMILES C\C=C\CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O |TLB:27:12:15:4.6.5,10:11:15:4.6.5|
Show InChI InChI=1S/C26H26N2O3/c1-2-3-11-28-12-10-25-21-15-8-9-19(29)23(21)31-24(25)22-17(14-26(25,30)20(28)13-15)16-6-4-5-7-18(16)27-22/h2-9,20,24,27,29-30H,10-14H2,1H3/b3-2+/t20?,24-,25-,26+/m0/s1
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 0.680n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Antagonist activity of compound on agonist stimulated [35S]GTP-gamma-S binding on delta-opioid receptor

J Med Chem 44: 1471-4 (2001)


BindingDB Entry DOI: 10.7270/Q2PK0GVP
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50221416
PNG
(22-methyl-(2S,13R)-14-oxa-11,22-diazaheptacyclo[13...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O |r|
Show InChI InChI=1S/C23H22N2O3/c1-25-9-8-22-18-12-6-7-16(26)20(18)28-21(22)19-14(11-23(22,27)17(25)10-12)13-4-2-3-5-15(13)24-19/h2-7,17,21,24,26-27H,8-11H2,1H3/t17-,21+,22+,23-/m1/s1
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 0.800n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]DADLE at delta-opioid receptor

J Med Chem 44: 1471-4 (2001)


BindingDB Entry DOI: 10.7270/Q2PK0GVP
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50098673
PNG
(17-(2-methyl-2-propenyl)-6,7-dehydro-4,5alpha-epox...)
Show SMILES CC(=C)N1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O |TLB:26:11:14:3.5.4,9:10:14:3.5.4|
Show InChI InChI=1S/C25H24N2O3/c1-13(2)27-10-9-24-20-14-7-8-18(28)22(20)30-23(24)21-16(12-25(24,29)19(27)11-14)15-5-3-4-6-17(15)26-21/h3-8,19,23,26,28-29H,1,9-12H2,2H3/t19?,23-,24-,25+/m0/s1
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 1.20n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Antagonist activity of compound on agonist stimulated [35S]GTP-gamma-S binding on delta-opioid receptor

J Med Chem 44: 1471-4 (2001)


BindingDB Entry DOI: 10.7270/Q2PK0GVP
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50098677
PNG
(17-propyl-6,7-dehydro-4,5alpha-epoxy-3,14-dihydrox...)
Show SMILES CCCN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O |TLB:26:11:14:3.5.4,9:10:14:3.5.4|
Show InChI InChI=1S/C25H26N2O3/c1-2-10-27-11-9-24-20-14-7-8-18(28)22(20)30-23(24)21-16(13-25(24,29)19(27)12-14)15-5-3-4-6-17(15)26-21/h3-8,19,23,26,28-29H,2,9-13H2,1H3/t19?,23-,24-,25+/m0/s1
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 2n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]DADLE at delta-opioid receptor

J Med Chem 44: 1471-4 (2001)


BindingDB Entry DOI: 10.7270/Q2PK0GVP
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50098680
PNG
(17-ethyl-6,7-dehydro-4,5alpha-epoxy-3,14-dihydroxy...)
Show SMILES CCN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O |TLB:25:10:13:2.4.3,8:9:13:2.4.3|
Show InChI InChI=1S/C24H24N2O3/c1-2-26-10-9-23-19-13-7-8-17(27)21(19)29-22(23)20-15(12-24(23,28)18(26)11-13)14-5-3-4-6-16(14)25-20/h3-8,18,22,25,27-28H,2,9-12H2,1H3/t18?,22-,23-,24+/m0/s1
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 3.20n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Antagonist activity of compound on SNC 80 stimulated [35S]GTP-gamma-S binding to delta-opioid receptor

J Med Chem 44: 1471-4 (2001)


BindingDB Entry DOI: 10.7270/Q2PK0GVP
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50098683
PNG
(17-(2-methylpropyl)-6,7-dehydro-4,5alpha-epoxy-3,1...)
Show SMILES CC(C)CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O |TLB:27:12:15:4.6.5,10:11:15:4.6.5|
Show InChI InChI=1S/C26H28N2O3/c1-14(2)13-28-10-9-25-21-15-7-8-19(29)23(21)31-24(25)22-17(12-26(25,30)20(28)11-15)16-5-3-4-6-18(16)27-22/h3-8,14,20,24,27,29-30H,9-13H2,1-2H3/t20?,24-,25-,26+/m0/s1
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 3.80n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]DADLE at delta-opioid receptor

J Med Chem 44: 1471-4 (2001)


BindingDB Entry DOI: 10.7270/Q2PK0GVP
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50370067
PNG
(CHEMBL1237164)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O |r,TLB:28:29:7.12.13:4.5.18,30:29:7.12.13:4.5.18|
Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24+,25+,26-/m1/s1
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 4.30n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Antagonist activity of compound on agonist stimulated [35S]GTP-gamma-S binding on mu-opioid receptor

J Med Chem 44: 1471-4 (2001)


BindingDB Entry DOI: 10.7270/Q2PK0GVP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50370067
PNG
(CHEMBL1237164)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O |r,TLB:28:29:7.12.13:4.5.18,30:29:7.12.13:4.5.18|
Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24+,25+,26-/m1/s1
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 4.70n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Antagonist activity of compound on U50,488H stimulated [35S]GTP-gamma-S binding to opioid receptor kappa 1

J Med Chem 44: 1471-4 (2001)


BindingDB Entry DOI: 10.7270/Q2PK0GVP
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50098673
PNG
(17-(2-methyl-2-propenyl)-6,7-dehydro-4,5alpha-epox...)
Show SMILES CC(=C)N1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O |TLB:26:11:14:3.5.4,9:10:14:3.5.4|
Show InChI InChI=1S/C25H24N2O3/c1-13(2)27-10-9-24-20-14-7-8-18(28)22(20)30-23(24)21-16(12-25(24,29)19(27)11-14)15-5-3-4-6-17(15)26-21/h3-8,19,23,26,28-29H,1,9-12H2,2H3/t19?,23-,24-,25+/m0/s1
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 4.70n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]DADLE at delta-opioid receptor

J Med Chem 44: 1471-4 (2001)


BindingDB Entry DOI: 10.7270/Q2PK0GVP
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50098676
PNG
(17-(3-methylbutyl)-6,7-dehydro-4,5alpha-epoxy-3,14...)
Show SMILES CC(C)CCN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O |TLB:28:13:16:5.7.6,11:12:16:5.7.6|
Show InChI InChI=1S/C27H30N2O3/c1-15(2)9-11-29-12-10-26-22-16-7-8-20(30)24(22)32-25(26)23-18(14-27(26,31)21(29)13-16)17-5-3-4-6-19(17)28-23/h3-8,15,21,25,28,30-31H,9-14H2,1-2H3/t21?,25-,26-,27+/m0/s1
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 4.80n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]DADLE at delta-opioid receptor

J Med Chem 44: 1471-4 (2001)


BindingDB Entry DOI: 10.7270/Q2PK0GVP
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50098680
PNG
(17-ethyl-6,7-dehydro-4,5alpha-epoxy-3,14-dihydroxy...)
Show SMILES CCN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O |TLB:25:10:13:2.4.3,8:9:13:2.4.3|
Show InChI InChI=1S/C24H24N2O3/c1-2-26-10-9-23-19-13-7-8-17(27)21(19)29-22(23)20-15(12-24(23,28)18(26)11-13)14-5-3-4-6-16(14)25-20/h3-8,18,22,25,27-28H,2,9-12H2,1H3/t18?,22-,23-,24+/m0/s1
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 5n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]DADLE at delta-opioid receptor

J Med Chem 44: 1471-4 (2001)


BindingDB Entry DOI: 10.7270/Q2PK0GVP
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50098674
PNG
((E)-17-(2-butenyl)-6,7-dehydro-4,5alpha-epoxy-3,14...)
Show SMILES C\C=C\CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O |TLB:27:12:15:4.6.5,10:11:15:4.6.5|
Show InChI InChI=1S/C26H26N2O3/c1-2-3-11-28-12-10-25-21-15-8-9-19(29)23(21)31-24(25)22-17(14-26(25,30)20(28)13-15)16-6-4-5-7-18(16)27-22/h2-9,20,24,27,29-30H,10-14H2,1H3/b3-2+/t20?,24-,25-,26+/m0/s1
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 7.40n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]DADLE at delta-opioid receptor

J Med Chem 44: 1471-4 (2001)


BindingDB Entry DOI: 10.7270/Q2PK0GVP
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50098681
PNG
(17-butyl-6,7-dehydro-4,5alpha-epoxy-3,14-dihydroxy...)
Show SMILES CCCCN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O |TLB:27:12:15:4.6.5,10:11:15:4.6.5|
Show InChI InChI=1S/C26H28N2O3/c1-2-3-11-28-12-10-25-21-15-8-9-19(29)23(21)31-24(25)22-17(14-26(25,30)20(28)13-15)16-6-4-5-7-18(16)27-22/h4-9,20,24,27,29-30H,2-3,10-14H2,1H3/t20?,24-,25-,26+/m0/s1
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 8.40n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]DADLE at delta-opioid receptor

J Med Chem 44: 1471-4 (2001)


BindingDB Entry DOI: 10.7270/Q2PK0GVP
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50098675
PNG
(17-pentyl-6,7-dehydro-4,5alpha-epoxy-3,14-dihydrox...)
Show SMILES CCCCCN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O |TLB:28:13:16:5.7.6,11:12:16:5.7.6|
Show InChI InChI=1S/C27H30N2O3/c1-2-3-6-12-29-13-11-26-22-16-9-10-20(30)24(22)32-25(26)23-18(15-27(26,31)21(29)14-16)17-7-4-5-8-19(17)28-23/h4-5,7-10,21,25,28,30-31H,2-3,6,11-15H2,1H3/t21?,25-,26-,27+/m0/s1
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 16n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]DADLE at delta-opioid receptor

J Med Chem 44: 1471-4 (2001)


BindingDB Entry DOI: 10.7270/Q2PK0GVP
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50098679
PNG
(17-(3-methyl-2-butenyl)-6,7-dehydro-4,5alpha-epoxy...)
Show SMILES CC(C)=CCN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O |wU:16.19,wD:8.12,9.9,TLB:28:13:16:5.7.6,11:12:16:5.7.6,(18.49,-4.11,;16.98,-3.92,;16.37,-2.5,;16.05,-5.14,;14.51,-4.95,;13.58,-6.19,;12.27,-6.96,;12.11,-9.25,;13.2,-10.34,;13.97,-11.68,;11.98,-12.74,;10.89,-11.66,;11.66,-10.34,;10.89,-9.02,;11.66,-7.7,;13.2,-7.7,;13.97,-9.02,;14.74,-7.68,;15.51,-9.02,;16.28,-10.33,;15.51,-11.68,;16.53,-12.83,;17.95,-12.19,;19.36,-12.83,;20.61,-11.91,;20.45,-10.36,;19.04,-9.75,;17.78,-10.65,;9.38,-9.02,;8.61,-10.33,;9.38,-11.66,;8.61,-12.99,)|
Show InChI InChI=1S/C27H28N2O3/c1-15(2)9-11-29-12-10-26-22-16-7-8-20(30)24(22)32-25(26)23-18(14-27(26,31)21(29)13-16)17-5-3-4-6-19(17)28-23/h3-9,21,25,28,30-31H,10-14H2,1-2H3/t21?,25-,26-,27+/m0/s1
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 25n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]DADLE at delta-opioid receptor

J Med Chem 44: 1471-4 (2001)


BindingDB Entry DOI: 10.7270/Q2PK0GVP
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50098672
PNG
(17-hexyl-6,7-dehydro-4,5alpha-epoxy-3,14-dihydroxy...)
Show SMILES CCCCCCN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O |TLB:29:14:17:6.8.7,12:13:17:6.8.7|
Show InChI InChI=1S/C28H32N2O3/c1-2-3-4-7-13-30-14-12-27-23-17-10-11-21(31)25(23)33-26(27)24-19(16-28(27,32)22(30)15-17)18-8-5-6-9-20(18)29-24/h5-6,8-11,22,26,29,31-32H,2-4,7,12-16H2,1H3/t22?,26-,27-,28+/m0/s1
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 26n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]DADLE at delta-opioid receptor

J Med Chem 44: 1471-4 (2001)


BindingDB Entry DOI: 10.7270/Q2PK0GVP
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50370067
PNG
(CHEMBL1237164)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O |r,TLB:28:29:7.12.13:4.5.18,30:29:7.12.13:4.5.18|
Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24+,25+,26-/m1/s1
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 27n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO at mu-opioid receptor

J Med Chem 44: 1471-4 (2001)


BindingDB Entry DOI: 10.7270/Q2PK0GVP
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50098674
PNG
((E)-17-(2-butenyl)-6,7-dehydro-4,5alpha-epoxy-3,14...)
Show SMILES C\C=C\CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O |TLB:27:12:15:4.6.5,10:11:15:4.6.5|
Show InChI InChI=1S/C26H26N2O3/c1-2-3-11-28-12-10-25-21-15-8-9-19(29)23(21)31-24(25)22-17(14-26(25,30)20(28)13-15)16-6-4-5-7-18(16)27-22/h2-9,20,24,27,29-30H,10-14H2,1H3/b3-2+/t20?,24-,25-,26+/m0/s1
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 30n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Antagonist activity of compound on agonist stimulated [35S]GTP-gamma-S binding on mu-opioid receptor

J Med Chem 44: 1471-4 (2001)


BindingDB Entry DOI: 10.7270/Q2PK0GVP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50370067
PNG
(CHEMBL1237164)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O |r,TLB:28:29:7.12.13:4.5.18,30:29:7.12.13:4.5.18|
Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24+,25+,26-/m1/s1
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 30n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 at opioid receptor kappa 1

J Med Chem 44: 1471-4 (2001)


BindingDB Entry DOI: 10.7270/Q2PK0GVP
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50098678
PNG
(17-(1-methylethyl)-6,7-dehydro-4,5alpha-epoxy-3,14...)
Show SMILES CC(C)N1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O |TLB:26:11:14:3.5.4,9:10:14:3.5.4|
Show InChI InChI=1S/C25H26N2O3/c1-13(2)27-10-9-24-20-14-7-8-18(28)22(20)30-23(24)21-16(12-25(24,29)19(27)11-14)15-5-3-4-6-17(15)26-21/h3-8,13,19,23,26,28-29H,9-12H2,1-2H3/t19?,23-,24-,25+/m0/s1
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 33n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]DADLE at delta-opioid receptor

J Med Chem 44: 1471-4 (2001)


BindingDB Entry DOI: 10.7270/Q2PK0GVP
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50221416
PNG
(22-methyl-(2S,13R)-14-oxa-11,22-diazaheptacyclo[13...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O |r|
Show InChI InChI=1S/C23H22N2O3/c1-25-9-8-22-18-12-6-7-16(26)20(18)28-21(22)19-14(11-23(22,27)17(25)10-12)13-4-2-3-5-15(13)24-19/h2-7,17,21,24,26-27H,8-11H2,1H3/t17-,21+,22+,23-/m1/s1
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 66n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO at mu-opioid receptor

J Med Chem 44: 1471-4 (2001)


BindingDB Entry DOI: 10.7270/Q2PK0GVP
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50098682
PNG
(17-heptyl-6,7-dehydro-4,5alpha-epoxy-3,14-dihydrox...)
Show SMILES CCCCCCCN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O |TLB:30:15:18:7.9.8,13:14:18:7.9.8|
Show InChI InChI=1S/C29H34N2O3/c1-2-3-4-5-8-14-31-15-13-28-24-18-11-12-22(32)26(24)34-27(28)25-20(17-29(28,33)23(31)16-18)19-9-6-7-10-21(19)30-25/h6-7,9-12,23,27,30,32-33H,2-5,8,13-17H2,1H3/t23?,27-,28-,29+/m0/s1
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 79n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]DADLE at delta-opioid receptor

J Med Chem 44: 1471-4 (2001)


BindingDB Entry DOI: 10.7270/Q2PK0GVP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50098674
PNG
((E)-17-(2-butenyl)-6,7-dehydro-4,5alpha-epoxy-3,14...)
Show SMILES C\C=C\CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O |TLB:27:12:15:4.6.5,10:11:15:4.6.5|
Show InChI InChI=1S/C26H26N2O3/c1-2-3-11-28-12-10-25-21-15-8-9-19(29)23(21)31-24(25)22-17(14-26(25,30)20(28)13-15)16-6-4-5-7-18(16)27-22/h2-9,20,24,27,29-30H,10-14H2,1H3/b3-2+/t20?,24-,25-,26+/m0/s1
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 118n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Antagonist activity of compound on U50,488H stimulated [35S]GTP-gamma-S binding to opioid receptor kappa 1

J Med Chem 44: 1471-4 (2001)


BindingDB Entry DOI: 10.7270/Q2PK0GVP
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50098673
PNG
(17-(2-methyl-2-propenyl)-6,7-dehydro-4,5alpha-epox...)
Show SMILES CC(=C)N1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O |TLB:26:11:14:3.5.4,9:10:14:3.5.4|
Show InChI InChI=1S/C25H24N2O3/c1-13(2)27-10-9-24-20-14-7-8-18(28)22(20)30-23(24)21-16(12-25(24,29)19(27)11-14)15-5-3-4-6-17(15)26-21/h3-8,19,23,26,28-29H,1,9-12H2,2H3/t19?,23-,24-,25+/m0/s1
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 200n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Antagonist activity of compound on agonist stimulated [35S]GTP-gamma-S binding on mu-opioid receptor

J Med Chem 44: 1471-4 (2001)


BindingDB Entry DOI: 10.7270/Q2PK0GVP
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50098680
PNG
(17-ethyl-6,7-dehydro-4,5alpha-epoxy-3,14-dihydroxy...)
Show SMILES CCN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O |TLB:25:10:13:2.4.3,8:9:13:2.4.3|
Show InChI InChI=1S/C24H24N2O3/c1-2-26-10-9-23-19-13-7-8-17(27)21(19)29-22(23)20-15(12-24(23,28)18(26)11-13)14-5-3-4-6-16(14)25-20/h3-8,18,22,25,27-28H,2,9-12H2,1H3/t18?,22-,23-,24+/m0/s1
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 290n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Antagonist activity of compound on DAMGO stimulated [35S]GTP-gamma-S binding to mu-opioid receptor

J Med Chem 44: 1471-4 (2001)


BindingDB Entry DOI: 10.7270/Q2PK0GVP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50098677
PNG
(17-propyl-6,7-dehydro-4,5alpha-epoxy-3,14-dihydrox...)
Show SMILES CCCN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O |TLB:26:11:14:3.5.4,9:10:14:3.5.4|
Show InChI InChI=1S/C25H26N2O3/c1-2-10-27-11-9-24-20-14-7-8-18(28)22(20)30-23(24)21-16(13-25(24,29)19(27)12-14)15-5-3-4-6-17(15)26-21/h3-8,19,23,26,28-29H,2,9-13H2,1H3/t19?,23-,24-,25+/m0/s1
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 380n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 at opioid receptor kappa 1

J Med Chem 44: 1471-4 (2001)


BindingDB Entry DOI: 10.7270/Q2PK0GVP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50098683
PNG
(17-(2-methylpropyl)-6,7-dehydro-4,5alpha-epoxy-3,1...)
Show SMILES CC(C)CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O |TLB:27:12:15:4.6.5,10:11:15:4.6.5|
Show InChI InChI=1S/C26H28N2O3/c1-14(2)13-28-10-9-25-21-15-7-8-19(29)23(21)31-24(25)22-17(12-26(25,30)20(28)11-15)16-5-3-4-6-18(16)27-22/h3-8,14,20,24,27,29-30H,9-13H2,1-2H3/t20?,24-,25-,26+/m0/s1
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 650n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 at opioid receptor kappa 1

J Med Chem 44: 1471-4 (2001)


BindingDB Entry DOI: 10.7270/Q2PK0GVP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50098676
PNG
(17-(3-methylbutyl)-6,7-dehydro-4,5alpha-epoxy-3,14...)
Show SMILES CC(C)CCN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O |TLB:28:13:16:5.7.6,11:12:16:5.7.6|
Show InChI InChI=1S/C27H30N2O3/c1-15(2)9-11-29-12-10-26-22-16-7-8-20(30)24(22)32-25(26)23-18(14-27(26,31)21(29)13-16)17-5-3-4-6-19(17)28-23/h3-8,15,21,25,28,30-31H,9-14H2,1-2H3/t21?,25-,26-,27+/m0/s1
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 670n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 at opioid receptor kappa 1

J Med Chem 44: 1471-4 (2001)


BindingDB Entry DOI: 10.7270/Q2PK0GVP
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50098677
PNG
(17-propyl-6,7-dehydro-4,5alpha-epoxy-3,14-dihydrox...)
Show SMILES CCCN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O |TLB:26:11:14:3.5.4,9:10:14:3.5.4|
Show InChI InChI=1S/C25H26N2O3/c1-2-10-27-11-9-24-20-14-7-8-18(28)22(20)30-23(24)21-16(13-25(24,29)19(27)12-14)15-5-3-4-6-17(15)26-21/h3-8,19,23,26,28-29H,2,9-13H2,1H3/t19?,23-,24-,25+/m0/s1
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 710n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO at mu-opioid receptor

J Med Chem 44: 1471-4 (2001)


BindingDB Entry DOI: 10.7270/Q2PK0GVP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50098673
PNG
(17-(2-methyl-2-propenyl)-6,7-dehydro-4,5alpha-epox...)
Show SMILES CC(=C)N1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O |TLB:26:11:14:3.5.4,9:10:14:3.5.4|
Show InChI InChI=1S/C25H24N2O3/c1-13(2)27-10-9-24-20-14-7-8-18(28)22(20)30-23(24)21-16(12-25(24,29)19(27)11-14)15-5-3-4-6-17(15)26-21/h3-8,19,23,26,28-29H,1,9-12H2,2H3/t19?,23-,24-,25+/m0/s1
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 740n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Antagonist activity of compound on U50,488H stimulated [35S]GTP-gamma-S binding to opioid receptor kappa 1

J Med Chem 44: 1471-4 (2001)


BindingDB Entry DOI: 10.7270/Q2PK0GVP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50098681
PNG
(17-butyl-6,7-dehydro-4,5alpha-epoxy-3,14-dihydroxy...)
Show SMILES CCCCN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O |TLB:27:12:15:4.6.5,10:11:15:4.6.5|
Show InChI InChI=1S/C26H28N2O3/c1-2-3-11-28-12-10-25-21-15-8-9-19(29)23(21)31-24(25)22-17(14-26(25,30)20(28)13-15)16-6-4-5-7-18(16)27-22/h4-9,20,24,27,29-30H,2-3,10-14H2,1H3/t20?,24-,25-,26+/m0/s1
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 900n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 at opioid receptor kappa 1

J Med Chem 44: 1471-4 (2001)


BindingDB Entry DOI: 10.7270/Q2PK0GVP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50098674
PNG
((E)-17-(2-butenyl)-6,7-dehydro-4,5alpha-epoxy-3,14...)
Show SMILES C\C=C\CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O |TLB:27:12:15:4.6.5,10:11:15:4.6.5|
Show InChI InChI=1S/C26H26N2O3/c1-2-3-11-28-12-10-25-21-15-8-9-19(29)23(21)31-24(25)22-17(14-26(25,30)20(28)13-15)16-6-4-5-7-18(16)27-22/h2-9,20,24,27,29-30H,10-14H2,1H3/b3-2+/t20?,24-,25-,26+/m0/s1
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 960n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 at opioid receptor kappa 1

J Med Chem 44: 1471-4 (2001)


BindingDB Entry DOI: 10.7270/Q2PK0GVP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50098680
PNG
(17-ethyl-6,7-dehydro-4,5alpha-epoxy-3,14-dihydroxy...)
Show SMILES CCN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O |TLB:25:10:13:2.4.3,8:9:13:2.4.3|
Show InChI InChI=1S/C24H24N2O3/c1-2-26-10-9-23-19-13-7-8-17(27)21(19)29-22(23)20-15(12-24(23,28)18(26)11-13)14-5-3-4-6-16(14)25-20/h3-8,18,22,25,27-28H,2,9-12H2,1H3/t18?,22-,23-,24+/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Antagonist activity of compound on U50,488H stimulated [35S]GTP-gamma-S binding to opioid receptor kappa 1

J Med Chem 44: 1471-4 (2001)


BindingDB Entry DOI: 10.7270/Q2PK0GVP
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50098674
PNG
((E)-17-(2-butenyl)-6,7-dehydro-4,5alpha-epoxy-3,14...)
Show SMILES C\C=C\CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O |TLB:27:12:15:4.6.5,10:11:15:4.6.5|
Show InChI InChI=1S/C26H26N2O3/c1-2-3-11-28-12-10-25-21-15-8-9-19(29)23(21)31-24(25)22-17(14-26(25,30)20(28)13-15)16-6-4-5-7-18(16)27-22/h2-9,20,24,27,29-30H,10-14H2,1H3/b3-2+/t20?,24-,25-,26+/m0/s1
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 1.20E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO at mu-opioid receptor

J Med Chem 44: 1471-4 (2001)


BindingDB Entry DOI: 10.7270/Q2PK0GVP
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50098681
PNG
(17-butyl-6,7-dehydro-4,5alpha-epoxy-3,14-dihydroxy...)
Show SMILES CCCCN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O |TLB:27:12:15:4.6.5,10:11:15:4.6.5|
Show InChI InChI=1S/C26H28N2O3/c1-2-3-11-28-12-10-25-21-15-8-9-19(29)23(21)31-24(25)22-17(14-26(25,30)20(28)13-15)16-6-4-5-7-18(16)27-22/h4-9,20,24,27,29-30H,2-3,10-14H2,1H3/t20?,24-,25-,26+/m0/s1
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 1.30E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO at mu-opioid receptor

J Med Chem 44: 1471-4 (2001)


BindingDB Entry DOI: 10.7270/Q2PK0GVP
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50098676
PNG
(17-(3-methylbutyl)-6,7-dehydro-4,5alpha-epoxy-3,14...)
Show SMILES CC(C)CCN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O |TLB:28:13:16:5.7.6,11:12:16:5.7.6|
Show InChI InChI=1S/C27H30N2O3/c1-15(2)9-11-29-12-10-26-22-16-7-8-20(30)24(22)32-25(26)23-18(14-27(26,31)21(29)13-16)17-5-3-4-6-19(17)28-23/h3-8,15,21,25,28,30-31H,9-14H2,1-2H3/t21?,25-,26-,27+/m0/s1
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 1.30E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO at mu-opioid receptor

J Med Chem 44: 1471-4 (2001)


BindingDB Entry DOI: 10.7270/Q2PK0GVP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50098675
PNG
(17-pentyl-6,7-dehydro-4,5alpha-epoxy-3,14-dihydrox...)
Show SMILES CCCCCN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O |TLB:28:13:16:5.7.6,11:12:16:5.7.6|
Show InChI InChI=1S/C27H30N2O3/c1-2-3-6-12-29-13-11-26-22-16-9-10-20(30)24(22)32-25(26)23-18(15-27(26,31)21(29)14-16)17-7-4-5-8-19(17)28-23/h4-5,7-10,21,25,28,30-31H,2-3,6,11-15H2,1H3/t21?,25-,26-,27+/m0/s1
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 2.00E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 at opioid receptor kappa 1

J Med Chem 44: 1471-4 (2001)


BindingDB Entry DOI: 10.7270/Q2PK0GVP
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50098680
PNG
(17-ethyl-6,7-dehydro-4,5alpha-epoxy-3,14-dihydroxy...)
Show SMILES CCN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O |TLB:25:10:13:2.4.3,8:9:13:2.4.3|
Show InChI InChI=1S/C24H24N2O3/c1-2-26-10-9-23-19-13-7-8-17(27)21(19)29-22(23)20-15(12-24(23,28)18(26)11-13)14-5-3-4-6-16(14)25-20/h3-8,18,22,25,27-28H,2,9-12H2,1H3/t18?,22-,23-,24+/m0/s1
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 2.50E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO at mu-opioid receptor

J Med Chem 44: 1471-4 (2001)


BindingDB Entry DOI: 10.7270/Q2PK0GVP
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50098683
PNG
(17-(2-methylpropyl)-6,7-dehydro-4,5alpha-epoxy-3,1...)
Show SMILES CC(C)CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O |TLB:27:12:15:4.6.5,10:11:15:4.6.5|
Show InChI InChI=1S/C26H28N2O3/c1-14(2)13-28-10-9-25-21-15-7-8-19(29)23(21)31-24(25)22-17(12-26(25,30)20(28)11-15)16-5-3-4-6-18(16)27-22/h3-8,14,20,24,27,29-30H,9-13H2,1-2H3/t20?,24-,25-,26+/m0/s1
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 2.60E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO at mu-opioid receptor

J Med Chem 44: 1471-4 (2001)


BindingDB Entry DOI: 10.7270/Q2PK0GVP
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50098679
PNG
(17-(3-methyl-2-butenyl)-6,7-dehydro-4,5alpha-epoxy...)
Show SMILES CC(C)=CCN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O |wU:16.19,wD:8.12,9.9,TLB:28:13:16:5.7.6,11:12:16:5.7.6,(18.49,-4.11,;16.98,-3.92,;16.37,-2.5,;16.05,-5.14,;14.51,-4.95,;13.58,-6.19,;12.27,-6.96,;12.11,-9.25,;13.2,-10.34,;13.97,-11.68,;11.98,-12.74,;10.89,-11.66,;11.66,-10.34,;10.89,-9.02,;11.66,-7.7,;13.2,-7.7,;13.97,-9.02,;14.74,-7.68,;15.51,-9.02,;16.28,-10.33,;15.51,-11.68,;16.53,-12.83,;17.95,-12.19,;19.36,-12.83,;20.61,-11.91,;20.45,-10.36,;19.04,-9.75,;17.78,-10.65,;9.38,-9.02,;8.61,-10.33,;9.38,-11.66,;8.61,-12.99,)|
Show InChI InChI=1S/C27H28N2O3/c1-15(2)9-11-29-12-10-26-22-16-7-8-20(30)24(22)32-25(26)23-18(14-27(26,31)21(29)13-16)17-5-3-4-6-19(17)28-23/h3-9,21,25,28,30-31H,10-14H2,1-2H3/t21?,25-,26-,27+/m0/s1
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 2.80E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO at mu-opioid receptor

J Med Chem 44: 1471-4 (2001)


BindingDB Entry DOI: 10.7270/Q2PK0GVP
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50098675
PNG
(17-pentyl-6,7-dehydro-4,5alpha-epoxy-3,14-dihydrox...)
Show SMILES CCCCCN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O |TLB:28:13:16:5.7.6,11:12:16:5.7.6|
Show InChI InChI=1S/C27H30N2O3/c1-2-3-6-12-29-13-11-26-22-16-9-10-20(30)24(22)32-25(26)23-18(15-27(26,31)21(29)14-16)17-7-4-5-8-19(17)28-23/h4-5,7-10,21,25,28,30-31H,2-3,6,11-15H2,1H3/t21?,25-,26-,27+/m0/s1
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 2.80E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO at mu-opioid receptor

J Med Chem 44: 1471-4 (2001)


BindingDB Entry DOI: 10.7270/Q2PK0GVP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50098680
PNG
(17-ethyl-6,7-dehydro-4,5alpha-epoxy-3,14-dihydroxy...)
Show SMILES CCN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O |TLB:25:10:13:2.4.3,8:9:13:2.4.3|
Show InChI InChI=1S/C24H24N2O3/c1-2-26-10-9-23-19-13-7-8-17(27)21(19)29-22(23)20-15(12-24(23,28)18(26)11-13)14-5-3-4-6-16(14)25-20/h3-8,18,22,25,27-28H,2,9-12H2,1H3/t18?,22-,23-,24+/m0/s1
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 3.00E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 at opioid receptor kappa 1

J Med Chem 44: 1471-4 (2001)


BindingDB Entry DOI: 10.7270/Q2PK0GVP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50098672
PNG
(17-hexyl-6,7-dehydro-4,5alpha-epoxy-3,14-dihydroxy...)
Show SMILES CCCCCCN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O |TLB:29:14:17:6.8.7,12:13:17:6.8.7|
Show InChI InChI=1S/C28H32N2O3/c1-2-3-4-7-13-30-14-12-27-23-17-10-11-21(31)25(23)33-26(27)24-19(16-28(27,32)22(30)15-17)18-8-5-6-9-20(18)29-24/h5-6,8-11,22,26,29,31-32H,2-4,7,12-16H2,1H3/t22?,26-,27-,28+/m0/s1
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 3.10E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 at opioid receptor kappa 1

J Med Chem 44: 1471-4 (2001)


BindingDB Entry DOI: 10.7270/Q2PK0GVP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50098679
PNG
(17-(3-methyl-2-butenyl)-6,7-dehydro-4,5alpha-epoxy...)
Show SMILES CC(C)=CCN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O |wU:16.19,wD:8.12,9.9,TLB:28:13:16:5.7.6,11:12:16:5.7.6,(18.49,-4.11,;16.98,-3.92,;16.37,-2.5,;16.05,-5.14,;14.51,-4.95,;13.58,-6.19,;12.27,-6.96,;12.11,-9.25,;13.2,-10.34,;13.97,-11.68,;11.98,-12.74,;10.89,-11.66,;11.66,-10.34,;10.89,-9.02,;11.66,-7.7,;13.2,-7.7,;13.97,-9.02,;14.74,-7.68,;15.51,-9.02,;16.28,-10.33,;15.51,-11.68,;16.53,-12.83,;17.95,-12.19,;19.36,-12.83,;20.61,-11.91,;20.45,-10.36,;19.04,-9.75,;17.78,-10.65,;9.38,-9.02,;8.61,-10.33,;9.38,-11.66,;8.61,-12.99,)|
Show InChI InChI=1S/C27H28N2O3/c1-15(2)9-11-29-12-10-26-22-16-7-8-20(30)24(22)32-25(26)23-18(14-27(26,31)21(29)13-16)17-5-3-4-6-19(17)28-23/h3-9,21,25,28,30-31H,10-14H2,1-2H3/t21?,25-,26-,27+/m0/s1
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 3.20E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 at opioid receptor kappa 1

J Med Chem 44: 1471-4 (2001)


BindingDB Entry DOI: 10.7270/Q2PK0GVP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50098673
PNG
(17-(2-methyl-2-propenyl)-6,7-dehydro-4,5alpha-epox...)
Show SMILES CC(=C)N1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O |TLB:26:11:14:3.5.4,9:10:14:3.5.4|
Show InChI InChI=1S/C25H24N2O3/c1-13(2)27-10-9-24-20-14-7-8-18(28)22(20)30-23(24)21-16(12-25(24,29)19(27)11-14)15-5-3-4-6-17(15)26-21/h3-8,19,23,26,28-29H,1,9-12H2,2H3/t19?,23-,24-,25+/m0/s1
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 3.80E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 at opioid receptor kappa 1

J Med Chem 44: 1471-4 (2001)


BindingDB Entry DOI: 10.7270/Q2PK0GVP
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50098682
PNG
(17-heptyl-6,7-dehydro-4,5alpha-epoxy-3,14-dihydrox...)
Show SMILES CCCCCCCN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O |TLB:30:15:18:7.9.8,13:14:18:7.9.8|
Show InChI InChI=1S/C29H34N2O3/c1-2-3-4-5-8-14-31-15-13-28-24-18-11-12-22(32)26(24)34-27(28)25-20(17-29(28,33)23(31)16-18)19-9-6-7-10-21(19)30-25/h6-7,9-12,23,27,30,32-33H,2-5,8,13-17H2,1H3/t23?,27-,28-,29+/m0/s1
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 4.60E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO at mu-opioid receptor

J Med Chem 44: 1471-4 (2001)


BindingDB Entry DOI: 10.7270/Q2PK0GVP
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50098672
PNG
(17-hexyl-6,7-dehydro-4,5alpha-epoxy-3,14-dihydroxy...)
Show SMILES CCCCCCN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O |TLB:29:14:17:6.8.7,12:13:17:6.8.7|
Show InChI InChI=1S/C28H32N2O3/c1-2-3-4-7-13-30-14-12-27-23-17-10-11-21(31)25(23)33-26(27)24-19(16-28(27,32)22(30)15-17)18-8-5-6-9-20(18)29-24/h5-6,8-11,22,26,29,31-32H,2-4,7,12-16H2,1H3/t22?,26-,27-,28+/m0/s1
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 4.60E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO at mu-opioid receptor

J Med Chem 44: 1471-4 (2001)


BindingDB Entry DOI: 10.7270/Q2PK0GVP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50098678
PNG
(17-(1-methylethyl)-6,7-dehydro-4,5alpha-epoxy-3,14...)
Show SMILES CC(C)N1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O |TLB:26:11:14:3.5.4,9:10:14:3.5.4|
Show InChI InChI=1S/C25H26N2O3/c1-13(2)27-10-9-24-20-14-7-8-18(28)22(20)30-23(24)21-16(12-25(24,29)19(27)11-14)15-5-3-4-6-17(15)26-21/h3-8,13,19,23,26,28-29H,9-12H2,1-2H3/t19?,23-,24-,25+/m0/s1
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 6.20E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 at opioid receptor kappa 1

J Med Chem 44: 1471-4 (2001)


BindingDB Entry DOI: 10.7270/Q2PK0GVP
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50098678
PNG
(17-(1-methylethyl)-6,7-dehydro-4,5alpha-epoxy-3,14...)
Show SMILES CC(C)N1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O |TLB:26:11:14:3.5.4,9:10:14:3.5.4|
Show InChI InChI=1S/C25H26N2O3/c1-13(2)27-10-9-24-20-14-7-8-18(28)22(20)30-23(24)21-16(12-25(24,29)19(27)11-14)15-5-3-4-6-17(15)26-21/h3-8,13,19,23,26,28-29H,9-12H2,1-2H3/t19?,23-,24-,25+/m0/s1
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>6.60E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO at mu-opioid receptor

J Med Chem 44: 1471-4 (2001)


BindingDB Entry DOI: 10.7270/Q2PK0GVP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50098682
PNG
(17-heptyl-6,7-dehydro-4,5alpha-epoxy-3,14-dihydrox...)
Show SMILES CCCCCCCN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O |TLB:30:15:18:7.9.8,13:14:18:7.9.8|
Show InChI InChI=1S/C29H34N2O3/c1-2-3-4-5-8-14-31-15-13-28-24-18-11-12-22(32)26(24)34-27(28)25-20(17-29(28,33)23(31)16-18)19-9-6-7-10-21(19)30-25/h6-7,9-12,23,27,30,32-33H,2-5,8,13-17H2,1H3/t23?,27-,28-,29+/m0/s1
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>7.00E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 at opioid receptor kappa 1

J Med Chem 44: 1471-4 (2001)


BindingDB Entry DOI: 10.7270/Q2PK0GVP
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50098673
PNG
(17-(2-methyl-2-propenyl)-6,7-dehydro-4,5alpha-epox...)
Show SMILES CC(=C)N1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O |TLB:26:11:14:3.5.4,9:10:14:3.5.4|
Show InChI InChI=1S/C25H24N2O3/c1-13(2)27-10-9-24-20-14-7-8-18(28)22(20)30-23(24)21-16(12-25(24,29)19(27)11-14)15-5-3-4-6-17(15)26-21/h3-8,19,23,26,28-29H,1,9-12H2,2H3/t19?,23-,24-,25+/m0/s1
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 7.90E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO at mu-opioid receptor

J Med Chem 44: 1471-4 (2001)


BindingDB Entry DOI: 10.7270/Q2PK0GVP
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%