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PubMed code 9057861

Compile data set for download or QSAR
Found 33 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))		BDBM50056626
PNG
(4-cyclopropylmethyl-10,17-dihydroxy-15-[1-(1-napht...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CCC45[C@@H](Oc1c24)C(=O)C(C[C@@]35O)=Cc1cccc2ccccc12 |w:25.31,THB:8:7:23:18.4.5|
Show InChI InChI=1S/C31H29NO4/c33-24-11-10-21-15-25-31(35)16-22(14-20-6-3-5-19-4-1-2-7-23(19)20)27(34)29-30(31,26(21)28(24)36-29)12-13-32(25)17-18-8-9-18/h1-7,10-11,14,18,25,29,33,35H,8-9,12-13,15-17H2/t25-,29+,30?,31-/m1/s1
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 0.700n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Binding affinity was determined in a crude membrane preparation from guinea pig brain by displacement of [3H]DPDPE from Opioid receptor delta 1

J Med Chem 40: 749-53 (1997)


Article DOI: 10.1021/jm960573f
BindingDB Entry DOI: 10.7270/Q29887P2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM60212
PNG
((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1
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 0.800n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Binding affinity was determined in a crude membrane preparation from guinea pig brain by displacement of [3H]DAMGO from Opioid receptor mu 1

J Med Chem 40: 749-53 (1997)


Article DOI: 10.1021/jm960573f
BindingDB Entry DOI: 10.7270/Q29887P2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM60212
PNG
((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1
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 1.10n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Binding affinity was determined in a crude membrane preparation from guinea pig brain by displacement of [3H]U-69593 from Opioid receptor kappa 1

J Med Chem 40: 749-53 (1997)


Article DOI: 10.1021/jm960573f
BindingDB Entry DOI: 10.7270/Q29887P2
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50056625
PNG
(15-[1-(9-anthryl)-(Z)-methylidene]-4-cyclopropylme...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CCC45[C@@H](Oc1c24)C(=O)C(C[C@@]35O)=Cc1c2ccccc2cc2ccccc12 |w:25.31,THB:8:7:23:18.4.5|
Show InChI InChI=1S/C35H31NO4/c37-28-12-11-23-17-29-35(39)18-24(16-27-25-7-3-1-5-21(25)15-22-6-2-4-8-26(22)27)31(38)33-34(35,30(23)32(28)40-33)13-14-36(29)19-20-9-10-20/h1-8,11-12,15-16,20,29,33,37,39H,9-10,13-14,17-19H2/t29-,33+,34?,35-/m1/s1
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 2.40n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Binding affinity was determined in a crude membrane preparation from guinea pig brain by displacement of [3H]DPDPE from Opioid receptor delta 1

J Med Chem 40: 749-53 (1997)


Article DOI: 10.1021/jm960573f
BindingDB Entry DOI: 10.7270/Q29887P2
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50450986
PNG
(CHEMBL101519)
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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 3.70n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Binding affinity was determined in a crude membrane preparation from guinea pig brain by displacement of [3H]DPDPE from Opioid receptor delta 1

J Med Chem 40: 749-53 (1997)


Article DOI: 10.1021/jm960573f
BindingDB Entry DOI: 10.7270/Q29887P2
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50056626
PNG
(4-cyclopropylmethyl-10,17-dihydroxy-15-[1-(1-napht...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CCC45[C@@H](Oc1c24)C(=O)C(C[C@@]35O)=Cc1cccc2ccccc12 |w:25.31,THB:8:7:23:18.4.5|
Show InChI InChI=1S/C31H29NO4/c33-24-11-10-21-15-25-31(35)16-22(14-20-6-3-5-19-4-1-2-7-23(19)20)27(34)29-30(31,26(21)28(24)36-29)12-13-32(25)17-18-8-9-18/h1-7,10-11,14,18,25,29,33,35H,8-9,12-13,15-17H2/t25-,29+,30?,31-/m1/s1
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 4.60n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Binding affinity was determined in a crude membrane preparation from guinea pig brain by displacement of [3H]DPDPE from Opioid receptor delta 1

J Med Chem 40: 749-53 (1997)


Article DOI: 10.1021/jm960573f
BindingDB Entry DOI: 10.7270/Q29887P2
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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 6.20n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Binding affinity was determined in a crude membrane preparation from guinea pig brain by displacement of [3H]DPDPE from Opioid receptor delta 1

J Med Chem 40: 749-53 (1997)


Article DOI: 10.1021/jm960573f
BindingDB Entry DOI: 10.7270/Q29887P2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50056626
PNG
(4-cyclopropylmethyl-10,17-dihydroxy-15-[1-(1-napht...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CCC45[C@@H](Oc1c24)C(=O)C(C[C@@]35O)=Cc1cccc2ccccc12 |w:25.31,THB:8:7:23:18.4.5|
Show InChI InChI=1S/C31H29NO4/c33-24-11-10-21-15-25-31(35)16-22(14-20-6-3-5-19-4-1-2-7-23(19)20)27(34)29-30(31,26(21)28(24)36-29)12-13-32(25)17-18-8-9-18/h1-7,10-11,14,18,25,29,33,35H,8-9,12-13,15-17H2/t25-,29+,30?,31-/m1/s1
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 11n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Binding affinity was determined in a crude membrane preparation from guinea pig brain by displacement of [3H]DAMGO from Opioid receptor mu 1

J Med Chem 40: 749-53 (1997)


Article DOI: 10.1021/jm960573f
BindingDB Entry DOI: 10.7270/Q29887P2
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM60212
PNG
((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1
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 11n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Binding affinity was determined in a crude membrane preparation from guinea pig brain by displacement of [3H]DPDPE from Opioid receptor delta 1

J Med Chem 40: 749-53 (1997)


Article DOI: 10.1021/jm960573f
BindingDB Entry DOI: 10.7270/Q29887P2
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50056632
PNG
(10,17-dihydroxy-4-isobutyl-15-[1-(2-naphthyl)-(Z)-...)
Show SMILES CC(C)CN1CCC23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CC(=Cc1ccc2ccccc2c1)C4=O)ccc5O |w:19.22,THB:3:4:15:11.12.13|
Show InChI InChI=1S/C31H31NO4/c1-18(2)17-32-12-11-30-26-22-9-10-24(33)28(26)36-29(30)27(34)23(16-31(30,35)25(32)15-22)14-19-7-8-20-5-3-4-6-21(20)13-19/h3-10,13-14,18,25,29,33,35H,11-12,15-17H2,1-2H3/t25-,29+,30?,31-/m1/s1
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 16n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Binding affinity was determined in a crude membrane preparation from guinea pig brain by displacement of [3H]DPDPE from Opioid receptor delta 1

J Med Chem 40: 749-53 (1997)


Article DOI: 10.1021/jm960573f
BindingDB Entry DOI: 10.7270/Q29887P2
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50056625
PNG
(15-[1-(9-anthryl)-(Z)-methylidene]-4-cyclopropylme...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CCC45[C@@H](Oc1c24)C(=O)C(C[C@@]35O)=Cc1c2ccccc2cc2ccccc12 |w:25.31,THB:8:7:23:18.4.5|
Show InChI InChI=1S/C35H31NO4/c37-28-12-11-23-17-29-35(39)18-24(16-27-25-7-3-1-5-21(25)15-22-6-2-4-8-26(22)27)31(38)33-34(35,30(23)32(28)40-33)13-14-36(29)19-20-9-10-20/h1-8,11-12,15-16,20,29,33,37,39H,9-10,13-14,17-19H2/t29-,33+,34?,35-/m1/s1
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 17n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Binding affinity was determined in a crude membrane preparation from guinea pig brain by displacement of [3H]DPDPE from Opioid receptor delta 1

J Med Chem 40: 749-53 (1997)


Article DOI: 10.1021/jm960573f
BindingDB Entry DOI: 10.7270/Q29887P2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50056627
PNG
(4-cyclopropylmethyl-10,17-dihydroxy-15-[1-(2-napht...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CCC45[C@@H](Oc1c24)C(=O)C(C[C@@]35O)=Cc1ccc2ccccc2c1 |w:25.31,THB:8:7:23:18.4.5|
Show InChI InChI=1S/C31H29NO4/c33-24-10-9-22-15-25-31(35)16-23(14-19-7-8-20-3-1-2-4-21(20)13-19)27(34)29-30(31,26(22)28(24)36-29)11-12-32(25)17-18-5-6-18/h1-4,7-10,13-14,18,25,29,33,35H,5-6,11-12,15-17H2/t25-,29+,30?,31-/m1/s1
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 23n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Binding affinity was determined in a crude membrane preparation from guinea pig brain by displacement of [3H]DAMGO from Opioid receptor mu 1

J Med Chem 40: 749-53 (1997)


Article DOI: 10.1021/jm960573f
BindingDB Entry DOI: 10.7270/Q29887P2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		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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 26n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Binding affinity was determined in a crude membrane preparation from guinea pig brain by displacement of [3H]DAMGO from Opioid receptor mu 1

J Med Chem 40: 749-53 (1997)


Article DOI: 10.1021/jm960573f
BindingDB Entry DOI: 10.7270/Q29887P2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50450986
PNG
(CHEMBL101519)
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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 33n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Binding affinity was determined in a crude membrane preparation from guinea pig brain by displacement of [3H]DAMGO from Opioid receptor mu 1

J Med Chem 40: 749-53 (1997)


Article DOI: 10.1021/jm960573f
BindingDB Entry DOI: 10.7270/Q29887P2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50056625
PNG
(15-[1-(9-anthryl)-(Z)-methylidene]-4-cyclopropylme...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CCC45[C@@H](Oc1c24)C(=O)C(C[C@@]35O)=Cc1c2ccccc2cc2ccccc12 |w:25.31,THB:8:7:23:18.4.5|
Show InChI InChI=1S/C35H31NO4/c37-28-12-11-23-17-29-35(39)18-24(16-27-25-7-3-1-5-21(25)15-22-6-2-4-8-26(22)27)31(38)33-34(35,30(23)32(28)40-33)13-14-36(29)19-20-9-10-20/h1-8,11-12,15-16,20,29,33,37,39H,9-10,13-14,17-19H2/t29-,33+,34?,35-/m1/s1
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 34n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Binding affinity was determined in a crude membrane preparation from guinea pig brain by displacement of [3H]DAMGO from Opioid receptor mu 1

J Med Chem 40: 749-53 (1997)


Article DOI: 10.1021/jm960573f
BindingDB Entry DOI: 10.7270/Q29887P2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50450986
PNG
(CHEMBL101519)
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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 34n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Binding affinity was determined in a crude membrane preparation from guinea pig brain by displacement of [3H]U-69593 from Opioid receptor kappa 1

J Med Chem 40: 749-53 (1997)


Article DOI: 10.1021/jm960573f
BindingDB Entry DOI: 10.7270/Q29887P2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50056626
PNG
(4-cyclopropylmethyl-10,17-dihydroxy-15-[1-(1-napht...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CCC45[C@@H](Oc1c24)C(=O)C(C[C@@]35O)=Cc1cccc2ccccc12 |w:25.31,THB:8:7:23:18.4.5|
Show InChI InChI=1S/C31H29NO4/c33-24-11-10-21-15-25-31(35)16-22(14-20-6-3-5-19-4-1-2-7-23(19)20)27(34)29-30(31,26(21)28(24)36-29)12-13-32(25)17-18-8-9-18/h1-7,10-11,14,18,25,29,33,35H,8-9,12-13,15-17H2/t25-,29+,30?,31-/m1/s1
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 36n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Binding affinity was determined in a crude membrane preparation from guinea pig brain by displacement of [3H]DAMGO from Opioid receptor mu 1

J Med Chem 40: 749-53 (1997)


Article DOI: 10.1021/jm960573f
BindingDB Entry DOI: 10.7270/Q29887P2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50056626
PNG
(4-cyclopropylmethyl-10,17-dihydroxy-15-[1-(1-napht...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CCC45[C@@H](Oc1c24)C(=O)C(C[C@@]35O)=Cc1cccc2ccccc12 |w:25.31,THB:8:7:23:18.4.5|
Show InChI InChI=1S/C31H29NO4/c33-24-11-10-21-15-25-31(35)16-22(14-20-6-3-5-19-4-1-2-7-23(19)20)27(34)29-30(31,26(21)28(24)36-29)12-13-32(25)17-18-8-9-18/h1-7,10-11,14,18,25,29,33,35H,8-9,12-13,15-17H2/t25-,29+,30?,31-/m1/s1
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 37n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Binding affinity was determined in a crude membrane preparation from guinea pig brain by displacement of [3H]U-69593 from Opioid receptor kappa 1

J Med Chem 40: 749-53 (1997)


Article DOI: 10.1021/jm960573f
BindingDB Entry DOI: 10.7270/Q29887P2
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50056627
PNG
(4-cyclopropylmethyl-10,17-dihydroxy-15-[1-(2-napht...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CCC45[C@@H](Oc1c24)C(=O)C(C[C@@]35O)=Cc1ccc2ccccc2c1 |w:25.31,THB:8:7:23:18.4.5|
Show InChI InChI=1S/C31H29NO4/c33-24-10-9-22-15-25-31(35)16-23(14-19-7-8-20-3-1-2-4-21(20)13-19)27(34)29-30(31,26(22)28(24)36-29)11-12-32(25)17-18-5-6-18/h1-4,7-10,13-14,18,25,29,33,35H,5-6,11-12,15-17H2/t25-,29+,30?,31-/m1/s1
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 39n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Binding affinity was determined in a crude membrane preparation from guinea pig brain by displacement of [3H]DPDPE from Opioid receptor delta 1

J Med Chem 40: 749-53 (1997)


Article DOI: 10.1021/jm960573f
BindingDB Entry DOI: 10.7270/Q29887P2
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50056629
PNG
(4-cyclopropylmethyl-10,17-dihydroxy-15-[1-(4-pheny...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CCC45[C@@H](Oc1c24)C(=O)C(C[C@@]35O)=Cc1ccc(cc1)-c1ccccc1 |w:25.31,THB:8:7:23:18.4.5|
Show InChI InChI=1S/C33H31NO4/c35-26-13-12-24-17-27-33(37)18-25(16-20-8-10-23(11-9-20)22-4-2-1-3-5-22)29(36)31-32(33,28(24)30(26)38-31)14-15-34(27)19-21-6-7-21/h1-5,8-13,16,21,27,31,35,37H,6-7,14-15,17-19H2/t27-,31+,32?,33-/m1/s1
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 47n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Binding affinity was determined in a crude membrane preparation from guinea pig brain by displacement of [3H]DPDPE from Opioid receptor delta 1

J Med Chem 40: 749-53 (1997)


Article DOI: 10.1021/jm960573f
BindingDB Entry DOI: 10.7270/Q29887P2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		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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 48n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Binding affinity was determined in a crude membrane preparation from guinea pig brain by displacement of [3H]U-69593 from Opioid receptor kappa 1

J Med Chem 40: 749-53 (1997)


Article DOI: 10.1021/jm960573f
BindingDB Entry DOI: 10.7270/Q29887P2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50056629
PNG
(4-cyclopropylmethyl-10,17-dihydroxy-15-[1-(4-pheny...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CCC45[C@@H](Oc1c24)C(=O)C(C[C@@]35O)=Cc1ccc(cc1)-c1ccccc1 |w:25.31,THB:8:7:23:18.4.5|
Show InChI InChI=1S/C33H31NO4/c35-26-13-12-24-17-27-33(37)18-25(16-20-8-10-23(11-9-20)22-4-2-1-3-5-22)29(36)31-32(33,28(24)30(26)38-31)14-15-34(27)19-21-6-7-21/h1-5,8-13,16,21,27,31,35,37H,6-7,14-15,17-19H2/t27-,31+,32?,33-/m1/s1
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 50n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Binding affinity was determined in a crude membrane preparation from guinea pig brain by displacement of [3H]DAMGO from Opioid receptor mu 1

J Med Chem 40: 749-53 (1997)


Article DOI: 10.1021/jm960573f
BindingDB Entry DOI: 10.7270/Q29887P2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50056632
PNG
(10,17-dihydroxy-4-isobutyl-15-[1-(2-naphthyl)-(Z)-...)
Show SMILES CC(C)CN1CCC23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CC(=Cc1ccc2ccccc2c1)C4=O)ccc5O |w:19.22,THB:3:4:15:11.12.13|
Show InChI InChI=1S/C31H31NO4/c1-18(2)17-32-12-11-30-26-22-9-10-24(33)28(26)36-29(30)27(34)23(16-31(30,35)25(32)15-22)14-19-7-8-20-5-3-4-6-21(20)13-19/h3-10,13-14,18,25,29,33,35H,11-12,15-17H2,1-2H3/t25-,29+,30?,31-/m1/s1
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 51n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Binding affinity was determined in a crude membrane preparation from guinea pig brain by displacement of [3H]DAMGO from Opioid receptor mu 1

J Med Chem 40: 749-53 (1997)


Article DOI: 10.1021/jm960573f
BindingDB Entry DOI: 10.7270/Q29887P2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50056627
PNG
(4-cyclopropylmethyl-10,17-dihydroxy-15-[1-(2-napht...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CCC45[C@@H](Oc1c24)C(=O)C(C[C@@]35O)=Cc1ccc2ccccc2c1 |w:25.31,THB:8:7:23:18.4.5|
Show InChI InChI=1S/C31H29NO4/c33-24-10-9-22-15-25-31(35)16-23(14-19-7-8-20-3-1-2-4-21(20)13-19)27(34)29-30(31,26(22)28(24)36-29)11-12-32(25)17-18-5-6-18/h1-4,7-10,13-14,18,25,29,33,35H,5-6,11-12,15-17H2/t25-,29+,30?,31-/m1/s1
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 74n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Binding affinity was determined in a crude membrane preparation from guinea pig brain by displacement of [3H]U-69593 from Opioid receptor kappa 1

J Med Chem 40: 749-53 (1997)


Article DOI: 10.1021/jm960573f
BindingDB Entry DOI: 10.7270/Q29887P2
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50056629
PNG
(4-cyclopropylmethyl-10,17-dihydroxy-15-[1-(4-pheny...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CCC45[C@@H](Oc1c24)C(=O)C(C[C@@]35O)=Cc1ccc(cc1)-c1ccccc1 |w:25.31,THB:8:7:23:18.4.5|
Show InChI InChI=1S/C33H31NO4/c35-26-13-12-24-17-27-33(37)18-25(16-20-8-10-23(11-9-20)22-4-2-1-3-5-22)29(36)31-32(33,28(24)30(26)38-31)14-15-34(27)19-21-6-7-21/h1-5,8-13,16,21,27,31,35,37H,6-7,14-15,17-19H2/t27-,31+,32?,33-/m1/s1
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 75n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Binding affinity was determined in a crude membrane preparation from guinea pig brain by displacement of [3H]DPDPE from Opioid receptor delta 1

J Med Chem 40: 749-53 (1997)


Article DOI: 10.1021/jm960573f
BindingDB Entry DOI: 10.7270/Q29887P2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50056625
PNG
(15-[1-(9-anthryl)-(Z)-methylidene]-4-cyclopropylme...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CCC45[C@@H](Oc1c24)C(=O)C(C[C@@]35O)=Cc1c2ccccc2cc2ccccc12 |w:25.31,THB:8:7:23:18.4.5|
Show InChI InChI=1S/C35H31NO4/c37-28-12-11-23-17-29-35(39)18-24(16-27-25-7-3-1-5-21(25)15-22-6-2-4-8-26(22)27)31(38)33-34(35,30(23)32(28)40-33)13-14-36(29)19-20-9-10-20/h1-8,11-12,15-16,20,29,33,37,39H,9-10,13-14,17-19H2/t29-,33+,34?,35-/m1/s1
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 100n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Binding affinity was determined in a crude membrane preparation from guinea pig brain by displacement of [3H]U-69593 from Opioid receptor kappa 1

J Med Chem 40: 749-53 (1997)


Article DOI: 10.1021/jm960573f
BindingDB Entry DOI: 10.7270/Q29887P2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50056625
PNG
(15-[1-(9-anthryl)-(Z)-methylidene]-4-cyclopropylme...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CCC45[C@@H](Oc1c24)C(=O)C(C[C@@]35O)=Cc1c2ccccc2cc2ccccc12 |w:25.31,THB:8:7:23:18.4.5|
Show InChI InChI=1S/C35H31NO4/c37-28-12-11-23-17-29-35(39)18-24(16-27-25-7-3-1-5-21(25)15-22-6-2-4-8-26(22)27)31(38)33-34(35,30(23)32(28)40-33)13-14-36(29)19-20-9-10-20/h1-8,11-12,15-16,20,29,33,37,39H,9-10,13-14,17-19H2/t29-,33+,34?,35-/m1/s1
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 110n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Binding affinity was determined in a crude membrane preparation from guinea pig brain by displacement of [3H]DAMGO from Opioid receptor mu 1

J Med Chem 40: 749-53 (1997)


Article DOI: 10.1021/jm960573f
BindingDB Entry DOI: 10.7270/Q29887P2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50056626
PNG
(4-cyclopropylmethyl-10,17-dihydroxy-15-[1-(1-napht...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CCC45[C@@H](Oc1c24)C(=O)C(C[C@@]35O)=Cc1cccc2ccccc12 |w:25.31,THB:8:7:23:18.4.5|
Show InChI InChI=1S/C31H29NO4/c33-24-11-10-21-15-25-31(35)16-22(14-20-6-3-5-19-4-1-2-7-23(19)20)27(34)29-30(31,26(21)28(24)36-29)12-13-32(25)17-18-8-9-18/h1-7,10-11,14,18,25,29,33,35H,8-9,12-13,15-17H2/t25-,29+,30?,31-/m1/s1
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 120n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Binding affinity was determined in a crude membrane preparation from guinea pig brain by displacement of [3H]U-69593 from Opioid receptor kappa 1

J Med Chem 40: 749-53 (1997)


Article DOI: 10.1021/jm960573f
BindingDB Entry DOI: 10.7270/Q29887P2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50056625
PNG
(15-[1-(9-anthryl)-(Z)-methylidene]-4-cyclopropylme...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CCC45[C@@H](Oc1c24)C(=O)C(C[C@@]35O)=Cc1c2ccccc2cc2ccccc12 |w:25.31,THB:8:7:23:18.4.5|
Show InChI InChI=1S/C35H31NO4/c37-28-12-11-23-17-29-35(39)18-24(16-27-25-7-3-1-5-21(25)15-22-6-2-4-8-26(22)27)31(38)33-34(35,30(23)32(28)40-33)13-14-36(29)19-20-9-10-20/h1-8,11-12,15-16,20,29,33,37,39H,9-10,13-14,17-19H2/t29-,33+,34?,35-/m1/s1
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 170n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Binding affinity was determined in a crude membrane preparation from guinea pig brain by displacement of [3H]U-69593 from Opioid receptor kappa 1

J Med Chem 40: 749-53 (1997)


Article DOI: 10.1021/jm960573f
BindingDB Entry DOI: 10.7270/Q29887P2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50056632
PNG
(10,17-dihydroxy-4-isobutyl-15-[1-(2-naphthyl)-(Z)-...)
Show SMILES CC(C)CN1CCC23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CC(=Cc1ccc2ccccc2c1)C4=O)ccc5O |w:19.22,THB:3:4:15:11.12.13|
Show InChI InChI=1S/C31H31NO4/c1-18(2)17-32-12-11-30-26-22-9-10-24(33)28(26)36-29(30)27(34)23(16-31(30,35)25(32)15-22)14-19-7-8-20-5-3-4-6-21(20)13-19/h3-10,13-14,18,25,29,33,35H,11-12,15-17H2,1-2H3/t25-,29+,30?,31-/m1/s1
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 180n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Binding affinity was determined in a crude membrane preparation from guinea pig brain by displacement of [3H]U-69593 from Opioid receptor kappa 1

J Med Chem 40: 749-53 (1997)


Article DOI: 10.1021/jm960573f
BindingDB Entry DOI: 10.7270/Q29887P2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50056629
PNG
(4-cyclopropylmethyl-10,17-dihydroxy-15-[1-(4-pheny...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CCC45[C@@H](Oc1c24)C(=O)C(C[C@@]35O)=Cc1ccc(cc1)-c1ccccc1 |w:25.31,THB:8:7:23:18.4.5|
Show InChI InChI=1S/C33H31NO4/c35-26-13-12-24-17-27-33(37)18-25(16-20-8-10-23(11-9-20)22-4-2-1-3-5-22)29(36)31-32(33,28(24)30(26)38-31)14-15-34(27)19-21-6-7-21/h1-5,8-13,16,21,27,31,35,37H,6-7,14-15,17-19H2/t27-,31+,32?,33-/m1/s1
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 190n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Binding affinity was determined in a crude membrane preparation from guinea pig brain by displacement of [3H]U-69593 from Opioid receptor kappa 1

J Med Chem 40: 749-53 (1997)


Article DOI: 10.1021/jm960573f
BindingDB Entry DOI: 10.7270/Q29887P2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50056629
PNG
(4-cyclopropylmethyl-10,17-dihydroxy-15-[1-(4-pheny...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CCC45[C@@H](Oc1c24)C(=O)C(C[C@@]35O)=Cc1ccc(cc1)-c1ccccc1 |w:25.31,THB:8:7:23:18.4.5|
Show InChI InChI=1S/C33H31NO4/c35-26-13-12-24-17-27-33(37)18-25(16-20-8-10-23(11-9-20)22-4-2-1-3-5-22)29(36)31-32(33,28(24)30(26)38-31)14-15-34(27)19-21-6-7-21/h1-5,8-13,16,21,27,31,35,37H,6-7,14-15,17-19H2/t27-,31+,32?,33-/m1/s1
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 210n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Binding affinity was determined in a crude membrane preparation from guinea pig brain by displacement of [3H]DAMGO from Opioid receptor mu 1

J Med Chem 40: 749-53 (1997)


Article DOI: 10.1021/jm960573f
BindingDB Entry DOI: 10.7270/Q29887P2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50056629
PNG
(4-cyclopropylmethyl-10,17-dihydroxy-15-[1-(4-pheny...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CCC45[C@@H](Oc1c24)C(=O)C(C[C@@]35O)=Cc1ccc(cc1)-c1ccccc1 |w:25.31,THB:8:7:23:18.4.5|
Show InChI InChI=1S/C33H31NO4/c35-26-13-12-24-17-27-33(37)18-25(16-20-8-10-23(11-9-20)22-4-2-1-3-5-22)29(36)31-32(33,28(24)30(26)38-31)14-15-34(27)19-21-6-7-21/h1-5,8-13,16,21,27,31,35,37H,6-7,14-15,17-19H2/t27-,31+,32?,33-/m1/s1
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 400n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Binding affinity was determined in a crude membrane preparation from guinea pig brain by displacement of [3H]U-69593 from Opioid receptor kappa 1

J Med Chem 40: 749-53 (1997)


Article DOI: 10.1021/jm960573f
BindingDB Entry DOI: 10.7270/Q29887P2
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Ligand-Target Pair
* indicates data uncertainty>20%