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Compile Data Set for Download or QSAR

Found 490 hits with Last Name = 'nelson' and Initial = 'wl'   
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
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)
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
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
More data for this
Ligand-Target Pair
Mu opioid receptor


(CALF)
BDBM50013385
PNG
(CHEMBL166355 | methyl 2-[4-cyclopropylmethyl-10,17...)
Show SMILES COC(=O)C(=C)COC1CCC2(O)C3Cc4ccc(O)c5OC1[C@]2(CCN3CC1CC1)c45 |THB:20:31:11:26.24.25,16:15:11:26.24.25|
Show InChI InChI=1S/C25H31NO6/c1-14(23(28)30-2)13-31-18-7-8-25(29)19-11-16-5-6-17(27)21-20(16)24(25,22(18)32-21)9-10-26(19)12-15-3-4-15/h5-6,15,18-19,22,27,29H,1,3-4,7-13H2,2H3/t18?,19?,22?,24-,25?/m0/s1
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n/an/a 0.180n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
In vitro binding affinity against Opioid receptor mu 1 from bovine caudate nucleus determined in presence of [3H]DAGO (1 nM)


J Med Chem 33: 737-41 (1990)


BindingDB Entry DOI: 10.7270/Q2SN09J6
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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n/an/a 0.200n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibitory concentration was determined against Opioid receptor mu 1 using [3H]- DAMGO radioligand


J Med Chem 38: 570-9 (1995)


BindingDB Entry DOI: 10.7270/Q2XW4KFB
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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n/an/a 0.230n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Tested for the binding affinity against the Mu opioid receptor in guinea pig brain using [3H]-DAMGO


J Med Chem 37: 4270-7 (1995)


BindingDB Entry DOI: 10.7270/Q2NV9JVC
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50453485
PNG
(CHEMBL2111914)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)[C@H](CCC35O)OCc1ccccc1 |r,TLB:23:22:18.4.5:7.13.12,THB:17:18:22:7.13.12,21:22:18.4.5:7.13.12,8:7:22:18.4.5|
Show InChI InChI=1S/C27H31NO4/c29-20-9-8-19-14-22-27(30)11-10-21(31-16-18-4-2-1-3-5-18)25-26(27,23(19)24(20)32-25)12-13-28(22)15-17-6-7-17/h1-5,8-9,17,21-22,25,29-30H,6-7,10-16H2/t21-,22?,25?,26?,27?/m0/s1
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University of Washington

Curated by ChEMBL


Assay Description
Tested for the binding affinity against the Mu opioid receptor in guinea pig brain using [3H]-DAMGO


J Med Chem 37: 4270-7 (1995)


BindingDB Entry DOI: 10.7270/Q2NV9JVC
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM21864
PNG
((21R)-22-(cyclopropylmethyl)-14-oxa-11,22-diazahep...)
Show SMILES [H][C@@]12Cc3ccc(O)c4OC5c6[nH]c7ccccc7c6CC1(O)C5(CCN2CC1CC1)c34 |THB:27:26:21:31.2.3|
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?/m0/s1
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n/an/a 0.320n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of Opioid receptor delta 1 by displacing 1 nM [3H]DPDPE in guinea pig brain membrane


J Med Chem 35: 4589-94 (1993)


BindingDB Entry DOI: 10.7270/Q27S7PCK
More data for this
Ligand-Target Pair
Mu opioid receptor


(CALF)
BDBM50013761
PNG
((R)-1-(3-cyclopropylmethyl-11,15-dimethoxy-13-oxa-...)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]51CC([C@H](C)N=C=S)[C@]2(OC)C=C1)ccc3O |wU:16.16,1.0,wD:17.34,25.30,20.24,7.7,c:33,THB:10:9:17:4.5.6,(4.92,-5.69,;6.74,-5.28,;5.98,-3.79,;6.74,-2.25,;8.08,-3.02,;9.41,-2.25,;10.74,-3.02,;10.73,-4.56,;11.13,-6.05,;12.06,-5.34,;13.38,-6.11,;14.86,-5.7,;16.36,-6.1,;15.63,-4.37,;11.81,-3.44,;9.15,-3.44,;8.07,-4.53,;9.39,-5.33,;9.38,-6.86,;8.03,-7.59,;8.03,-9.15,;9.57,-9.15,;6.68,-9.9,;5.34,-10.66,;4,-11.42,;6.7,-6.82,;5.37,-7.57,;4.04,-6.77,;8.01,-6.67,;8.03,-5.3,;9.41,-.71,;8.07,.06,;6.74,-.71,;5.4,.06,)|
Show InChI InChI=1S/C26H30N2O3S/c1-15(27-14-32)18-12-24-7-8-26(18,30-2)23-25(24)9-10-28(13-16-3-4-16)20(24)11-17-5-6-19(29)22(31-23)21(17)25/h5-8,15-16,18,20,23,29H,3-4,9-13H2,1-2H3/t15-,18?,20+,23+,24+,25-,26+/m0/s1
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University of Washington

Curated by ChEMBL


Assay Description
Inhibition of 0.5 nM [3H]- Bremazocine binding to Opioid receptor mu 1 of bovine striatum membrane


J Med Chem 33: 2286-96 (1990)


BindingDB Entry DOI: 10.7270/Q2K074WV
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50123599
PNG
(ETORPHINE)
Show SMILES [H][C@@]1(C[C@]23C=C[C@]1(OC)[C@@H]1Oc4c5c(C[C@H]2N(C)CC[C@@]315)ccc4O)[C@](C)(O)CCC |r,wU:15.17,20.21,25.33,1.0,wD:9.10,3.3,6.7,c:4,THB:17:16:13.12.14:3,(12.5,-39.62,;11.02,-39.23,;12.37,-38.48,;12.38,-36.94,;11.6,-38.27,;10.46,-37.1,;9.7,-38.44,;8.61,-39.53,;7.12,-39.12,;9.72,-36.9,;8.94,-35.56,;9.73,-33.87,;11.06,-34.63,;12.4,-33.87,;13.73,-34.64,;13.72,-36.18,;14.48,-34.84,;15.81,-34.06,;12.94,-34.84,;12.54,-35.75,;11.06,-36.16,;12.39,-32.32,;11.06,-31.55,;9.73,-32.32,;8.39,-31.55,;11,-40.77,;10.98,-42.3,;9.46,-40.75,;12.54,-40.79,;13.29,-42.14,;14.83,-42.16,)|
Show InChI InChI=1/C25H33NO4/c1-5-8-22(2,28)17-14-23-9-10-25(17,29-4)21-24(23)11-12-26(3)18(23)13-15-6-7-16(27)20(30-21)19(15)24/h6-7,9-10,17-18,21,27-28H,5,8,11-14H2,1-4H3/t17-,18-,21-,22-,23-,24+,25-/s2
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n/an/a 0.480n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL




J Med Chem 35: 4589-94 (1993)


BindingDB Entry DOI: 10.7270/Q27S7PCK
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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n/an/a 0.5n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibitory concentration against Opioid receptor kappa 1 using [3H]- U-69,593 radioligand


J Med Chem 38: 570-9 (1995)


BindingDB Entry DOI: 10.7270/Q2XW4KFB
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50013388
PNG
(6-Ethyl-3-(1-hydroxy-cyclopropylmethyl)-11,11-dime...)
Show SMILES CCC12CCN(CC3(O)CC3)C(Cc3ccc(O)cc13)C2(C)C |TLB:6:5:20:19.13.12|
Show InChI InChI=1S/C20H29NO2/c1-4-20-9-10-21(13-19(23)7-8-19)17(18(20,2)3)11-14-5-6-15(22)12-16(14)20/h5-6,12,17,22-23H,4,7-11,13H2,1-3H3
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University of Washington

Curated by ChEMBL




J Med Chem 33: 737-41 (1990)


BindingDB Entry DOI: 10.7270/Q2SN09J6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50001709
PNG
(4-cyclopropylmethyl-(13R)-12-oxa-4-azapentacyclo[9...)
Show SMILES O[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r|
Show InChI InChI=1S/C20H25NO4/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/h3-4,11,14-15,18,22-24H,1-2,5-10H2/t14-,15-,18+,19+,20-/m1/s1
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University of Washington

Curated by ChEMBL


Assay Description
Tested for the binding affinity against the Mu opioid receptor in guinea pig brain using [3H]-DAMGO


J Med Chem 37: 4270-7 (1995)


BindingDB Entry DOI: 10.7270/Q2NV9JVC
More data for this
Ligand-Target Pair
Mu opioid receptor


(CALF)
BDBM50013388
PNG
(6-Ethyl-3-(1-hydroxy-cyclopropylmethyl)-11,11-dime...)
Show SMILES CCC12CCN(CC3(O)CC3)C(Cc3ccc(O)cc13)C2(C)C |TLB:6:5:20:19.13.12|
Show InChI InChI=1S/C20H29NO2/c1-4-20-9-10-21(13-19(23)7-8-19)17(18(20,2)3)11-14-5-6-15(22)12-16(14)20/h5-6,12,17,22-23H,4,7-11,13H2,1-3H3
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University of Washington

Curated by ChEMBL


Assay Description
Inhibition of 0.5 nM [3H]- Bremazocine binding to Opioid receptor mu 1 of bovine striatum membrane


J Med Chem 33: 2286-96 (1990)


BindingDB Entry DOI: 10.7270/Q2K074WV
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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n/an/a 0.530n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Tested for the binding affinity against the Kappa opioid receptor in guinea pig brain using [3H]U-69593


J Med Chem 37: 4270-7 (1995)


BindingDB Entry DOI: 10.7270/Q2NV9JVC
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50453485
PNG
(CHEMBL2111914)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)[C@H](CCC35O)OCc1ccccc1 |r,TLB:23:22:18.4.5:7.13.12,THB:17:18:22:7.13.12,21:22:18.4.5:7.13.12,8:7:22:18.4.5|
Show InChI InChI=1S/C27H31NO4/c29-20-9-8-19-14-22-27(30)11-10-21(31-16-18-4-2-1-3-5-18)25-26(27,23(19)24(20)32-25)12-13-28(22)15-17-6-7-17/h1-5,8-9,17,21-22,25,29-30H,6-7,10-16H2/t21-,22?,25?,26?,27?/m0/s1
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University of Washington

Curated by ChEMBL


Assay Description
Tested for the binding affinity against the Kappa opioid receptor in guinea pig brain using [3H]U-69593


J Med Chem 37: 4270-7 (1995)


BindingDB Entry DOI: 10.7270/Q2NV9JVC
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50001714
PNG
(2-[3-cyclopropylmethyl-11-hydroxy-15-methoxy-(1S,2...)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1C(C)(C)O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |THB:8:7:22.21:4.3|
Show InChI InChI=1S/C26H35NO4/c1-23(2,29)18-13-24-8-9-26(18,30-3)22-25(24)10-11-27(14-15-4-5-15)19(24)12-16-6-7-17(28)21(31-22)20(16)25/h6-7,15,18-19,22,28-29H,4-5,8-14H2,1-3H3/t18-,19-,22-,24-,25+,26-/m1/s1
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University of Washington

Curated by ChEMBL


Assay Description
Inhibition of Opioid receptor delta 1 by displacing 1 nM [3H]DPDPE in guinea pig brain membrane


J Med Chem 35: 4589-94 (1993)


BindingDB Entry DOI: 10.7270/Q27S7PCK
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50453489
PNG
(CHEMBL2112730)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)[C@@H](CCC35O)OCc1ccc(cc1)-c1ccccc1 |r,TLB:23:22:18.4.5:7.13.12,THB:17:18:22:7.13.12,21:22:18.4.5:7.13.12,8:7:22:18.4.5|
Show InChI InChI=1S/C33H35NO4/c35-26-13-12-25-18-28-33(36)15-14-27(37-20-22-8-10-24(11-9-22)23-4-2-1-3-5-23)31-32(33,29(25)30(26)38-31)16-17-34(28)19-21-6-7-21/h1-5,8-13,21,27-28,31,35-36H,6-7,14-20H2/t27-,28?,31?,32?,33?/m1/s1
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University of Washington

Curated by ChEMBL


Assay Description
Tested for the binding affinity against the Mu opioid receptor in guinea pig brain using [3H]-DAMGO


J Med Chem 37: 4270-7 (1995)


BindingDB Entry DOI: 10.7270/Q2NV9JVC
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50001714
PNG
(2-[3-cyclopropylmethyl-11-hydroxy-15-methoxy-(1S,2...)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1C(C)(C)O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |THB:8:7:22.21:4.3|
Show InChI InChI=1S/C26H35NO4/c1-23(2,29)18-13-24-8-9-26(18,30-3)22-25(24)10-11-27(14-15-4-5-15)19(24)12-16-6-7-17(28)21(31-22)20(16)25/h6-7,15,18-19,22,28-29H,4-5,8-14H2,1-3H3/t18-,19-,22-,24-,25+,26-/m1/s1
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n/an/a 0.710n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of opioid receptor mu by displacing 1 nM [3H]DAGO in guinea pig brain membrane


J Med Chem 35: 4589-94 (1993)


BindingDB Entry DOI: 10.7270/Q27S7PCK
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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n/an/a 0.730n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
inhibition of 1.0 nM [3H]- DAGO binding to guinea pig brain membrane opioid receptor mu


J Med Chem 35: 2374-84 (1992)


BindingDB Entry DOI: 10.7270/Q2GH9JKS
More data for this
Ligand-Target Pair
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