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PubMed code 16792410

Compile data set for download or QSAR
Found 48 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
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50170672
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 2-(furan-3-yl)...)
Show SMILES CCC(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1 |r|
Show InChI InChI=1S/C24H30O8/c1-5-18(25)31-16-10-15(21(27)29-4)23(2)8-6-14-22(28)32-17(13-7-9-30-12-13)11-24(14,3)20(23)19(16)26/h7,9,12,14-17,20H,5-6,8,10-11H2,1-4H3/t14-,15-,16-,17-,20-,23-,24-/m0/s1
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1.80n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Displacement of [125]OXY from kappa opioid receptor


J Nat Prod 69: 914-8 (2006)


Article DOI: 10.1021/np060094b
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50159165
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-9-(acetyloxy)-2-(fura...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
Show InChI InChI=1S/C23H28O8/c1-12(24)30-16-9-15(20(26)28-4)22(2)7-5-14-21(27)31-17(13-6-8-29-11-13)10-23(14,3)19(22)18(16)25/h6,8,11,14-17,19H,5,7,9-10H2,1-4H3/t14-,15-,16-,17-,19-,22-,23-/m0/s1
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1.90n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Displacement of [125]OXY from kappa opioid receptor


J Nat Prod 69: 914-8 (2006)


Article DOI: 10.1021/np060094b
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50170676
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 2-(furan-3-yl)...)
Show SMILES COC(=O)[C@@H]1C[C@H](OS(C)(=O)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
Show InChI InChI=1S/C22H28O9S/c1-21-7-5-13-20(25)30-16(12-6-8-29-11-12)10-22(13,2)18(21)17(23)15(31-32(4,26)27)9-14(21)19(24)28-3/h6,8,11,13-16,18H,5,7,9-10H2,1-4H3/t13-,14-,15-,16-,18-,21-,22-/m0/s1
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2.30n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Displacement of [125]OXY from kappa opioid receptor


J Nat Prod 69: 914-8 (2006)


Article DOI: 10.1021/np060094b
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50189138
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-(butyryloxy)...)
Show SMILES CCCC(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1 |r|
Show InChI InChI=1S/C25H32O8/c1-5-6-19(26)32-17-11-16(22(28)30-4)24(2)9-7-15-23(29)33-18(14-8-10-31-13-14)12-25(15,3)21(24)20(17)27/h8,10,13,15-18,21H,5-7,9,11-12H2,1-4H3/t15-,16-,17-,18-,21-,24-,25-/m0/s1
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4n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Displacement of [125]OXY from kappa opioid receptor


J Nat Prod 69: 914-8 (2006)


Article DOI: 10.1021/np060094b
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50238620
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-9-(4-Bromobenzoyloxy)...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(=O)c2ccc(Br)cc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
Show InChI InChI=1S/C28H29BrO8/c1-27-10-8-18-26(33)37-21(16-9-11-35-14-16)13-28(18,2)23(27)22(30)20(12-19(27)25(32)34-3)36-24(31)15-4-6-17(29)7-5-15/h4-7,9,11,14,18-21,23H,8,10,12-13H2,1-3H3/t18-,19-,20-,21-,23-,27-,28-/m0/s1
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10n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Displacement of [125]OXY from mu opioid receptor


J Nat Prod 69: 914-8 (2006)


Article DOI: 10.1021/np060094b
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50238615
PNG
(CHEMBL264967 | Thiophene-2-carboxylic Acid (2S,4aR...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(=O)c2cccs2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
Show InChI InChI=1S/C26H28O8S/c1-25-8-6-15-23(29)34-18(14-7-9-32-13-14)12-26(15,2)21(25)20(27)17(11-16(25)22(28)31-3)33-24(30)19-5-4-10-35-19/h4-5,7,9-10,13,15-18,21H,6,8,11-12H2,1-3H3/t15-,16-,17-,18-,21-,25-,26-/m0/s1
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10n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Displacement of [125]OXY from mu opioid receptor


J Nat Prod 69: 914-8 (2006)


Article DOI: 10.1021/np060094b
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50170678
PNG
((3S,4aR,4bS,6S,8R,8aR,10aR)-6-Benzoyloxy-3-furan-3...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(=O)c2ccccc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
Show InChI InChI=1S/C28H30O8/c1-27-11-9-18-26(32)36-21(17-10-12-34-15-17)14-28(18,2)23(27)22(29)20(13-19(27)25(31)33-3)35-24(30)16-7-5-4-6-8-16/h4-8,10,12,15,18-21,23H,9,11,13-14H2,1-3H3/t18-,19-,20-,21-,23-,27-,28-/m0/s1
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12n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Displacement of [125]OXY from mu opioid receptor


J Nat Prod 69: 914-8 (2006)


Article DOI: 10.1021/np060094b
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50269283
PNG
((2S,4aS,6aR,7R,9S,10aS,10bR)-9-(Pentanoyloxy)-2-(3...)
Show SMILES CCCCC(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1 |r|
Show InChI InChI=1S/C26H34O8/c1-5-6-7-20(27)33-18-12-17(23(29)31-4)25(2)10-8-16-24(30)34-19(15-9-11-32-14-15)13-26(16,3)22(25)21(18)28/h9,11,14,16-19,22H,5-8,10,12-13H2,1-4H3/t16-,17-,18-,19-,22-,25-,26-/m0/s1
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15n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Displacement of [125]OXY from kappa opioid receptor


J Nat Prod 69: 914-8 (2006)


Article DOI: 10.1021/np060094b
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50269313
PNG
((2S,4aS,6aR,7R,9S,10aS,10bR)-9-(4-Methylbenzenesul...)
Show SMILES COC(=O)[C@@H]1C[C@H](OS(=O)(=O)c2ccc(C)cc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
Show InChI InChI=1S/C28H32O9S/c1-16-5-7-18(8-6-16)38(32,33)37-21-13-20(25(30)34-4)27(2)11-9-19-26(31)36-22(17-10-12-35-15-17)14-28(19,3)24(27)23(21)29/h5-8,10,12,15,19-22,24H,9,11,13-14H2,1-4H3/t19-,20-,21-,22-,24-,27-,28-/m0/s1
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50n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Displacement of [125]OXY from kappa opioid receptor


J Nat Prod 69: 914-8 (2006)


Article DOI: 10.1021/np060094b
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50269312
PNG
((2S,4aS,6aR,7R,9S,10aS,10bR)-9-(Benzenesulfonyloxy...)
Show SMILES COC(=O)[C@@H]1C[C@H](OS(=O)(=O)c2ccccc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
Show InChI InChI=1S/C27H30O9S/c1-26-11-9-18-25(30)35-21(16-10-12-34-15-16)14-27(18,2)23(26)22(28)20(13-19(26)24(29)33-3)36-37(31,32)17-7-5-4-6-8-17/h4-8,10,12,15,18-21,23H,9,11,13-14H2,1-3H3/t18-,19-,20-,21-,23-,26-,27-/m0/s1
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60n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Displacement of [125]OXY from kappa opioid receptor


J Nat Prod 69: 914-8 (2006)


Article DOI: 10.1021/np060094b
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50238624
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-(3-bromobenz...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(=O)c2cccc(Br)c2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
Show InChI InChI=1S/C28H29BrO8/c1-27-9-7-18-26(33)37-21(16-8-10-35-14-16)13-28(18,2)23(27)22(30)20(12-19(27)25(32)34-3)36-24(31)15-5-4-6-17(29)11-15/h4-6,8,10-11,14,18-21,23H,7,9,12-13H2,1-3H3/t18-,19-,20-,21-,23-,27-,28-/m0/s1
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70n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Displacement of [125]OXY from kappa opioid receptor


J Nat Prod 69: 914-8 (2006)


Article DOI: 10.1021/np060094b
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50269284
PNG
((2S,4aS,6aR,7R,9S,10aS,10bR)-9-(Hexanoyloxy)-2-(3-...)
Show SMILES CCCCCC(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1 |r|
Show InChI InChI=1S/C27H36O8/c1-5-6-7-8-21(28)34-19-13-18(24(30)32-4)26(2)11-9-17-25(31)35-20(16-10-12-33-15-16)14-27(17,3)23(26)22(19)29/h10,12,15,17-20,23H,5-9,11,13-14H2,1-4H3/t17-,18-,19-,20-,23-,26-,27-/m0/s1
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70n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Displacement of [125]OXY from kappa opioid receptor


J Nat Prod 69: 914-8 (2006)


Article DOI: 10.1021/np060094b
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50238628
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-(2-bromobenz...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(=O)c2ccccc2Br)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
Show InChI InChI=1S/C28H29BrO8/c1-27-10-8-17-26(33)37-21(15-9-11-35-14-15)13-28(17,2)23(27)22(30)20(12-18(27)25(32)34-3)36-24(31)16-6-4-5-7-19(16)29/h4-7,9,11,14,17-18,20-21,23H,8,10,12-13H2,1-3H3/t17-,18-,20-,21-,23-,27-,28-/m0/s1
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90n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Displacement of [125]OXY from kappa opioid receptor


J Nat Prod 69: 914-8 (2006)


Article DOI: 10.1021/np060094b
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50269285
PNG
((2S,4aS,6aR,7R,9S,10aS,10bR)-9-(2-tert-Butoxycarbo...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(=O)CNC(=O)OC(C)(C)C)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
Show InChI InChI=1S/C28H37NO10/c1-26(2,3)39-25(34)29-13-20(30)37-18-11-17(23(32)35-6)27(4)9-7-16-24(33)38-19(15-8-10-36-14-15)12-28(16,5)22(27)21(18)31/h8,10,14,16-19,22H,7,9,11-13H2,1-6H3,(H,29,34)/t16-,17-,18-,19-,22-,27-,28-/m0/s1
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90n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Displacement of [125]OXY from kappa opioid receptor


J Nat Prod 69: 914-8 (2006)


Article DOI: 10.1021/np060094b
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50170678
PNG
((3S,4aR,4bS,6S,8R,8aR,10aR)-6-Benzoyloxy-3-furan-3...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(=O)c2ccccc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
Show InChI InChI=1S/C28H30O8/c1-27-11-9-18-26(32)36-21(17-10-12-34-15-17)14-28(18,2)23(27)22(29)20(13-19(27)25(31)33-3)35-24(30)16-7-5-4-6-8-16/h4-8,10,12,15,18-21,23H,9,11,13-14H2,1-3H3/t18-,19-,20-,21-,23-,27-,28-/m0/s1
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90n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Displacement of [125]OXY from kappa opioid receptor


J Nat Prod 69: 914-8 (2006)


Article DOI: 10.1021/np060094b
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50238624
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-(3-bromobenz...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(=O)c2cccc(Br)c2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
Show InChI InChI=1S/C28H29BrO8/c1-27-9-7-18-26(33)37-21(16-8-10-35-14-16)13-28(18,2)23(27)22(30)20(12-19(27)25(32)34-3)36-24(31)15-5-4-6-17(29)11-15/h4-6,8,10-11,14,18-21,23H,7,9,12-13H2,1-3H3/t18-,19-,20-,21-,23-,27-,28-/m0/s1
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110n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Displacement of [125]OXY from mu opioid receptor


J Nat Prod 69: 914-8 (2006)


Article DOI: 10.1021/np060094b
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50238628
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-(2-bromobenz...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(=O)c2ccccc2Br)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
Show InChI InChI=1S/C28H29BrO8/c1-27-10-8-17-26(33)37-21(15-9-11-35-14-15)13-28(17,2)23(27)22(30)20(12-18(27)25(32)34-3)36-24(31)16-6-4-5-7-19(16)29/h4-7,9,11,14,17-18,20-21,23H,8,10,12-13H2,1-3H3/t17-,18-,20-,21-,23-,27-,28-/m0/s1
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110n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Displacement of [125]OXY from mu opioid receptor


J Nat Prod 69: 914-8 (2006)


Article DOI: 10.1021/np060094b
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50269294
PNG
((2S,4aS,6aR,7R,9S,10aS,10bR)-9-(3-Phenylpropionyl)...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(=O)CCc2ccccc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
Show InChI InChI=1S/C30H34O8/c1-29-13-11-20-28(34)38-23(19-12-14-36-17-19)16-30(20,2)26(29)25(32)22(15-21(29)27(33)35-3)37-24(31)10-9-18-7-5-4-6-8-18/h4-8,12,14,17,20-23,26H,9-11,13,15-16H2,1-3H3/t20-,21-,22-,23-,26-,29-,30-/m0/s1
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180n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Displacement of [125]OXY from kappa opioid receptor


J Nat Prod 69: 914-8 (2006)


Article DOI: 10.1021/np060094b
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50269313
PNG
((2S,4aS,6aR,7R,9S,10aS,10bR)-9-(4-Methylbenzenesul...)
Show SMILES COC(=O)[C@@H]1C[C@H](OS(=O)(=O)c2ccc(C)cc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
Show InChI InChI=1S/C28H32O9S/c1-16-5-7-18(8-6-16)38(32,33)37-21-13-20(25(30)34-4)27(2)11-9-19-26(31)36-22(17-10-12-35-15-17)14-28(19,3)24(27)23(21)29/h5-8,10,12,15,19-22,24H,9,11,13-14H2,1-4H3/t19-,20-,21-,22-,24-,27-,28-/m0/s1
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220n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Displacement of [125]OXY from mu opioid receptor


J Nat Prod 69: 914-8 (2006)


Article DOI: 10.1021/np060094b
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50238615
PNG
(CHEMBL264967 | Thiophene-2-carboxylic Acid (2S,4aR...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(=O)c2cccs2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
Show InChI InChI=1S/C26H28O8S/c1-25-8-6-15-23(29)34-18(14-7-9-32-13-14)12-26(15,2)21(25)20(27)17(11-16(25)22(28)31-3)33-24(30)19-5-4-10-35-19/h4-5,7,9-10,13,15-18,21H,6,8,11-12H2,1-3H3/t15-,16-,17-,18-,21-,25-,26-/m0/s1
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260n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Displacement of [125]OXY from kappa opioid receptor


J Nat Prod 69: 914-8 (2006)


Article DOI: 10.1021/np060094b
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50269294
PNG
((2S,4aS,6aR,7R,9S,10aS,10bR)-9-(3-Phenylpropionyl)...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(=O)CCc2ccccc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
Show InChI InChI=1S/C30H34O8/c1-29-13-11-20-28(34)38-23(19-12-14-36-17-19)16-30(20,2)26(29)25(32)22(15-21(29)27(33)35-3)37-24(31)10-9-18-7-5-4-6-8-18/h4-8,12,14,17,20-23,26H,9-11,13,15-16H2,1-3H3/t20-,21-,22-,23-,26-,29-,30-/m0/s1
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280n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Displacement of [125]OXY from mu opioid receptor


J Nat Prod 69: 914-8 (2006)


Article DOI: 10.1021/np060094b
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50269293
PNG
((2S,4aS,6aR,7R,9S,10aS,10bR)-9-(Phenylacetyloxy)-2...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(=O)Cc2ccccc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
Show InChI InChI=1S/C29H32O8/c1-28-11-9-19-27(33)37-22(18-10-12-35-16-18)15-29(19,2)25(28)24(31)21(14-20(28)26(32)34-3)36-23(30)13-17-7-5-4-6-8-17/h4-8,10,12,16,19-22,25H,9,11,13-15H2,1-3H3/t19-,20-,21-,22-,25-,28-,29-/m0/s1
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290n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Displacement of [125]OXY from kappa opioid receptor


J Nat Prod 69: 914-8 (2006)


Article DOI: 10.1021/np060094b
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50269283
PNG
((2S,4aS,6aR,7R,9S,10aS,10bR)-9-(Pentanoyloxy)-2-(3...)
Show SMILES CCCCC(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1 |r|
Show InChI InChI=1S/C26H34O8/c1-5-6-7-20(27)33-18-12-17(23(29)31-4)25(2)10-8-16-24(30)34-19(15-9-11-32-14-15)13-26(16,3)22(25)21(18)28/h9,11,14,16-19,22H,5-8,10,12-13H2,1-4H3/t16-,17-,18-,19-,22-,25-,26-/m0/s1
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310n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Displacement of [125]OXY from mu opioid receptor


J Nat Prod 69: 914-8 (2006)


Article DOI: 10.1021/np060094b
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50269284
PNG
((2S,4aS,6aR,7R,9S,10aS,10bR)-9-(Hexanoyloxy)-2-(3-...)
Show SMILES CCCCCC(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1 |r|
Show InChI InChI=1S/C27H36O8/c1-5-6-7-8-21(28)34-19-13-18(24(30)32-4)26(2)11-9-17-25(31)35-20(16-10-12-33-15-16)14-27(17,3)23(26)22(19)29/h10,12,15,17-20,23H,5-9,11,13-14H2,1-4H3/t17-,18-,19-,20-,23-,26-,27-/m0/s1
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520n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Displacement of [125]OXY from mu opioid receptor


J Nat Prod 69: 914-8 (2006)


Article DOI: 10.1021/np060094b
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50189138
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-(butyryloxy)...)
Show SMILES CCCC(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1 |r|
Show InChI InChI=1S/C25H32O8/c1-5-6-19(26)32-17-11-16(22(28)30-4)24(2)9-7-15-23(29)33-18(14-8-10-31-13-14)12-25(15,3)21(24)20(17)27/h8,10,13,15-18,21H,5-7,9,11-12H2,1-4H3/t15-,16-,17-,18-,21-,24-,25-/m0/s1
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520n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Displacement of [125]OXY from mu opioid receptor


J Nat Prod 69: 914-8 (2006)


Article DOI: 10.1021/np060094b
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50238620
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-9-(4-Bromobenzoyloxy)...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(=O)c2ccc(Br)cc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
Show InChI InChI=1S/C28H29BrO8/c1-27-10-8-18-26(33)37-21(16-9-11-35-14-16)13-28(18,2)23(27)22(30)20(12-19(27)25(32)34-3)36-24(31)15-4-6-17(29)7-5-15/h4-7,9,11,14,18-21,23H,8,10,12-13H2,1-3H3/t18-,19-,20-,21-,23-,27-,28-/m0/s1
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740n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Displacement of [125]OXY from kappa opioid receptor


J Nat Prod 69: 914-8 (2006)


Article DOI: 10.1021/np060094b
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50159165
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-9-(acetyloxy)-2-(fura...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
Show InChI InChI=1S/C23H28O8/c1-12(24)30-16-9-15(20(26)28-4)22(2)7-5-14-21(27)31-17(13-6-8-29-11-13)10-23(14,3)19(22)18(16)25/h6,8,11,14-17,19H,5,7,9-10H2,1-4H3/t14-,15-,16-,17-,19-,22-,23-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Displacement of [125]OXY from mu opioid receptor


J Nat Prod 69: 914-8 (2006)


Article DOI: 10.1021/np060094b
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50170672
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 2-(furan-3-yl)...)
Show SMILES CCC(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1 |r|
Show InChI InChI=1S/C24H30O8/c1-5-18(25)31-16-10-15(21(27)29-4)23(2)8-6-14-22(28)32-17(13-7-9-30-12-13)11-24(14,3)20(23)19(16)26/h7,9,12,14-17,20H,5-6,8,10-11H2,1-4H3/t14-,15-,16-,17-,20-,23-,24-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Displacement of [125]OXY from mu opioid receptor


J Nat Prod 69: 914-8 (2006)


Article DOI: 10.1021/np060094b
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50269293
PNG
((2S,4aS,6aR,7R,9S,10aS,10bR)-9-(Phenylacetyloxy)-2...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(=O)Cc2ccccc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
Show InChI InChI=1S/C29H32O8/c1-28-11-9-19-27(33)37-22(18-10-12-35-16-18)15-29(19,2)25(28)24(31)21(14-20(28)26(32)34-3)36-23(30)13-17-7-5-4-6-8-17/h4-8,10,12,16,19-22,25H,9,11,13-15H2,1-3H3/t19-,20-,21-,22-,25-,28-,29-/m0/s1
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1.09E+3n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Displacement of [125]OXY from mu opioid receptor


J Nat Prod 69: 914-8 (2006)


Article DOI: 10.1021/np060094b
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50170678
PNG
((3S,4aR,4bS,6S,8R,8aR,10aR)-6-Benzoyloxy-3-furan-3...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(=O)c2ccccc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
Show InChI InChI=1S/C28H30O8/c1-27-11-9-18-26(32)36-21(17-10-12-34-15-17)14-28(18,2)23(27)22(29)20(13-19(27)25(31)33-3)35-24(30)16-7-5-4-6-8-16/h4-8,10,12,15,18-21,23H,9,11,13-14H2,1-3H3/t18-,19-,20-,21-,23-,27-,28-/m0/s1
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1.17E+3n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Displacement of [125]OXY from delta opioid receptor


J Nat Prod 69: 914-8 (2006)


Article DOI: 10.1021/np060094b
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50238615
PNG
(CHEMBL264967 | Thiophene-2-carboxylic Acid (2S,4aR...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(=O)c2cccs2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
Show InChI InChI=1S/C26H28O8S/c1-25-8-6-15-23(29)34-18(14-7-9-32-13-14)12-26(15,2)21(25)20(27)17(11-16(25)22(28)31-3)33-24(30)19-5-4-10-35-19/h4-5,7,9-10,13,15-18,21H,6,8,11-12H2,1-3H3/t15-,16-,17-,18-,21-,25-,26-/m0/s1
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1.38E+3n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Displacement of [125]OXY from delta opioid receptor


J Nat Prod 69: 914-8 (2006)


Article DOI: 10.1021/np060094b
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50238620
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-9-(4-Bromobenzoyloxy)...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(=O)c2ccc(Br)cc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
Show InChI InChI=1S/C28H29BrO8/c1-27-10-8-18-26(33)37-21(16-9-11-35-14-16)13-28(18,2)23(27)22(30)20(12-19(27)25(32)34-3)36-24(31)15-4-6-17(29)7-5-15/h4-7,9,11,14,18-21,23H,8,10,12-13H2,1-3H3/t18-,19-,20-,21-,23-,27-,28-/m0/s1
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1.41E+3n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Displacement of [125]OXY from delta opioid receptor


J Nat Prod 69: 914-8 (2006)


Article DOI: 10.1021/np060094b
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50269313
PNG
((2S,4aS,6aR,7R,9S,10aS,10bR)-9-(4-Methylbenzenesul...)
Show SMILES COC(=O)[C@@H]1C[C@H](OS(=O)(=O)c2ccc(C)cc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
Show InChI InChI=1S/C28H32O9S/c1-16-5-7-18(8-6-16)38(32,33)37-21-13-20(25(30)34-4)27(2)11-9-19-26(31)36-22(17-10-12-35-15-17)14-28(19,3)24(27)23(21)29/h5-8,10,12,15,19-22,24H,9,11,13-14H2,1-4H3/t19-,20-,21-,22-,24-,27-,28-/m0/s1
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3.72E+3n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Displacement of [125]OXY from delta opioid receptor


J Nat Prod 69: 914-8 (2006)


Article DOI: 10.1021/np060094b
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50269283
PNG
((2S,4aS,6aR,7R,9S,10aS,10bR)-9-(Pentanoyloxy)-2-(3...)
Show SMILES CCCCC(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1 |r|
Show InChI InChI=1S/C26H34O8/c1-5-6-7-20(27)33-18-12-17(23(29)31-4)25(2)10-8-16-24(30)34-19(15-9-11-32-14-15)13-26(16,3)22(25)21(18)28/h9,11,14,16-19,22H,5-8,10,12-13H2,1-4H3/t16-,17-,18-,19-,22-,25-,26-/m0/s1
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3.97E+3n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Displacement of [125]OXY from delta opioid receptor


J Nat Prod 69: 914-8 (2006)


Article DOI: 10.1021/np060094b
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50189138
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-(butyryloxy)...)
Show SMILES CCCC(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1 |r|
Show InChI InChI=1S/C25H32O8/c1-5-6-19(26)32-17-11-16(22(28)30-4)24(2)9-7-15-23(29)33-18(14-8-10-31-13-14)12-25(15,3)21(24)20(17)27/h8,10,13,15-18,21H,5-7,9,11-12H2,1-4H3/t15-,16-,17-,18-,21-,24-,25-/m0/s1
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4.03E+3n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Displacement of [125]OXY from delta opioid receptor


J Nat Prod 69: 914-8 (2006)


Article DOI: 10.1021/np060094b
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50269284
PNG
((2S,4aS,6aR,7R,9S,10aS,10bR)-9-(Hexanoyloxy)-2-(3-...)
Show SMILES CCCCCC(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1 |r|
Show InChI InChI=1S/C27H36O8/c1-5-6-7-8-21(28)34-19-13-18(24(30)32-4)26(2)11-9-17-25(31)35-20(16-10-12-33-15-16)14-27(17,3)23(26)22(19)29/h10,12,15,17-20,23H,5-9,11,13-14H2,1-4H3/t17-,18-,19-,20-,23-,26-,27-/m0/s1
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4.24E+3n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Displacement of [125]OXY from delta opioid receptor


J Nat Prod 69: 914-8 (2006)


Article DOI: 10.1021/np060094b
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50269285
PNG
((2S,4aS,6aR,7R,9S,10aS,10bR)-9-(2-tert-Butoxycarbo...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(=O)CNC(=O)OC(C)(C)C)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
Show InChI InChI=1S/C28H37NO10/c1-26(2,3)39-25(34)29-13-20(30)37-18-11-17(23(32)35-6)27(4)9-7-16-24(33)38-19(15-8-10-36-14-15)12-28(16,5)22(27)21(18)31/h8,10,14,16-19,22H,7,9,11-13H2,1-6H3,(H,29,34)/t16-,17-,18-,19-,22-,27-,28-/m0/s1
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5.66E+3n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Displacement of [125]OXY from mu opioid receptor


J Nat Prod 69: 914-8 (2006)


Article DOI: 10.1021/np060094b
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50159165
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-9-(acetyloxy)-2-(fura...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
Show InChI InChI=1S/C23H28O8/c1-12(24)30-16-9-15(20(26)28-4)22(2)7-5-14-21(27)31-17(13-6-8-29-11-13)10-23(14,3)19(22)18(16)25/h6,8,11,14-17,19H,5,7,9-10H2,1-4H3/t14-,15-,16-,17-,19-,22-,23-/m0/s1
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5.79E+3n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Displacement of [125]OXY from delta opioid receptor


J Nat Prod 69: 914-8 (2006)


Article DOI: 10.1021/np060094b
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50170672
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 2-(furan-3-yl)...)
Show SMILES CCC(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1 |r|
Show InChI InChI=1S/C24H30O8/c1-5-18(25)31-16-10-15(21(27)29-4)23(2)8-6-14-22(28)32-17(13-7-9-30-12-13)11-24(14,3)20(23)19(16)26/h7,9,12,14-17,20H,5-6,8,10-11H2,1-4H3/t14-,15-,16-,17-,20-,23-,24-/m0/s1
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6.69E+3n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Displacement of [125]OXY from delta opioid receptor


J Nat Prod 69: 914-8 (2006)


Article DOI: 10.1021/np060094b
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50170676
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 2-(furan-3-yl)...)
Show SMILES COC(=O)[C@@H]1C[C@H](OS(C)(=O)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
Show InChI InChI=1S/C22H28O9S/c1-21-7-5-13-20(25)30-16(12-6-8-29-11-12)10-22(13,2)18(21)17(23)15(31-32(4,26)27)9-14(21)19(24)28-3/h6,8,11,13-16,18H,5,7,9-10H2,1-4H3/t13-,14-,15-,16-,18-,21-,22-/m0/s1
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6.82E+3n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Displacement of [125]OXY from mu opioid receptor


J Nat Prod 69: 914-8 (2006)


Article DOI: 10.1021/np060094b
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50269294
PNG
((2S,4aS,6aR,7R,9S,10aS,10bR)-9-(3-Phenylpropionyl)...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(=O)CCc2ccccc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
Show InChI InChI=1S/C30H34O8/c1-29-13-11-20-28(34)38-23(19-12-14-36-17-19)16-30(20,2)26(29)25(32)22(15-21(29)27(33)35-3)37-24(31)10-9-18-7-5-4-6-8-18/h4-8,12,14,17,20-23,26H,9-11,13,15-16H2,1-3H3/t20-,21-,22-,23-,26-,29-,30-/m0/s1
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9.33E+3n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Displacement of [125]OXY from delta opioid receptor


J Nat Prod 69: 914-8 (2006)


Article DOI: 10.1021/np060094b
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50269285
PNG
((2S,4aS,6aR,7R,9S,10aS,10bR)-9-(2-tert-Butoxycarbo...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(=O)CNC(=O)OC(C)(C)C)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
Show InChI InChI=1S/C28H37NO10/c1-26(2,3)39-25(34)29-13-20(30)37-18-11-17(23(32)35-6)27(4)9-7-16-24(33)38-19(15-8-10-36-14-15)12-28(16,5)22(27)21(18)31/h8,10,14,16-19,22H,7,9,11-13H2,1-6H3,(H,29,34)/t16-,17-,18-,19-,22-,27-,28-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Displacement of [125]OXY from delta opioid receptor


J Nat Prod 69: 914-8 (2006)


Article DOI: 10.1021/np060094b
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50269312
PNG
((2S,4aS,6aR,7R,9S,10aS,10bR)-9-(Benzenesulfonyloxy...)
Show SMILES COC(=O)[C@@H]1C[C@H](OS(=O)(=O)c2ccccc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
Show InChI InChI=1S/C27H30O9S/c1-26-11-9-18-25(30)35-21(16-10-12-34-15-16)14-27(18,2)23(26)22(28)20(13-19(26)24(29)33-3)36-37(31,32)17-7-5-4-6-8-17/h4-8,10,12,15,18-21,23H,9,11,13-14H2,1-3H3/t18-,19-,20-,21-,23-,26-,27-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Displacement of [125]OXY from mu opioid receptor


J Nat Prod 69: 914-8 (2006)


Article DOI: 10.1021/np060094b
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50269312
PNG
((2S,4aS,6aR,7R,9S,10aS,10bR)-9-(Benzenesulfonyloxy...)
Show SMILES COC(=O)[C@@H]1C[C@H](OS(=O)(=O)c2ccccc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
Show InChI InChI=1S/C27H30O9S/c1-26-11-9-18-25(30)35-21(16-10-12-34-15-16)14-27(18,2)23(26)22(28)20(13-19(26)24(29)33-3)36-37(31,32)17-7-5-4-6-8-17/h4-8,10,12,15,18-21,23H,9,11,13-14H2,1-3H3/t18-,19-,20-,21-,23-,26-,27-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Displacement of [125]OXY from delta opioid receptor


J Nat Prod 69: 914-8 (2006)


Article DOI: 10.1021/np060094b
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50238628
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-(2-bromobenz...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(=O)c2ccccc2Br)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
Show InChI InChI=1S/C28H29BrO8/c1-27-10-8-17-26(33)37-21(15-9-11-35-14-15)13-28(17,2)23(27)22(30)20(12-18(27)25(32)34-3)36-24(31)16-6-4-5-7-19(16)29/h4-7,9,11,14,17-18,20-21,23H,8,10,12-13H2,1-3H3/t17-,18-,20-,21-,23-,27-,28-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Displacement of [125]OXY from delta opioid receptor


J Nat Prod 69: 914-8 (2006)


Article DOI: 10.1021/np060094b
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50269293
PNG
((2S,4aS,6aR,7R,9S,10aS,10bR)-9-(Phenylacetyloxy)-2...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(=O)Cc2ccccc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
Show InChI InChI=1S/C29H32O8/c1-28-11-9-19-27(33)37-22(18-10-12-35-16-18)15-29(19,2)25(28)24(31)21(14-20(28)26(32)34-3)36-23(30)13-17-7-5-4-6-8-17/h4-8,10,12,16,19-22,25H,9,11,13-15H2,1-3H3/t19-,20-,21-,22-,25-,28-,29-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Displacement of [125]OXY from delta opioid receptor


J Nat Prod 69: 914-8 (2006)


Article DOI: 10.1021/np060094b
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50238624
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-(3-bromobenz...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(=O)c2cccc(Br)c2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
Show InChI InChI=1S/C28H29BrO8/c1-27-9-7-18-26(33)37-21(16-8-10-35-14-16)13-28(18,2)23(27)22(30)20(12-19(27)25(32)34-3)36-24(31)15-5-4-6-17(29)11-15/h4-6,8,10-11,14,18-21,23H,7,9,12-13H2,1-3H3/t18-,19-,20-,21-,23-,27-,28-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Displacement of [125]OXY from delta opioid receptor


J Nat Prod 69: 914-8 (2006)


Article DOI: 10.1021/np060094b
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50170676
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 2-(furan-3-yl)...)
Show SMILES COC(=O)[C@@H]1C[C@H](OS(C)(=O)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
Show InChI InChI=1S/C22H28O9S/c1-21-7-5-13-20(25)30-16(12-6-8-29-11-12)10-22(13,2)18(21)17(23)15(31-32(4,26)27)9-14(21)19(24)28-3/h6,8,11,13-16,18H,5,7,9-10H2,1-4H3/t13-,14-,15-,16-,18-,21-,22-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Displacement of [125]OXY from delta opioid receptor


J Nat Prod 69: 914-8 (2006)


Article DOI: 10.1021/np060094b
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%