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PubMed code 17580847

Compile data set for download or QSAR
Found 67 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))
BDBM50216132
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-2-(2...)
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)c1ccoc1Br |r|
Show InChI InChI=1S/C23H27BrO8/c1-11(25)31-15-9-14(20(27)29-4)22(2)7-5-13-21(28)32-16(12-6-8-30-19(12)24)10-23(13,3)18(22)17(15)26/h6,8,13-16,18H,5,7,9-10H2,1-4H3/t13-,14-,15-,16-,18-,22-,23-/m0/s1
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3n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Displacement of [125I]IOXY from human kappa opioid receptor expressed in CHO cells


J Med Chem 50: 3596-603 (2007)


Article DOI: 10.1021/jm070393d
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50371092
PNG
(CHEMBL427280)
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)[C@@H]1CCOC1
Show InChI InChI=1S/C23H32O8/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/h13-17,19H,5-11H2,1-4H3/t13-,14+,15+,16+,17+,19+,22+,23+/m1/s1
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3.70n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Displacement of [125I]IOXY from human kappa opioid receptor expressed in CHO cells


J Med Chem 50: 3596-603 (2007)


Article DOI: 10.1021/jm070393d
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50159168
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-6a,1...)
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
Show InChI InChI=1S/C23H32O8/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/h13-17,19H,5-11H2,1-4H3/t13?,14-,15-,16-,17-,19-,22-,23-/m0/s1
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14n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Displacement of [125I]IOXY from human kappa opioid receptor expressed in CHO cells


J Med Chem 50: 3596-603 (2007)


Article DOI: 10.1021/jm070393d
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50216133
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-2-((...)
Show SMILES CO[C@@H]1C[C@H]([C@@H](OC)O1)[C@@H]1C[C@@]2(C)[C@@H](CC[C@@]3(C)[C@@H](C[C@H](OC(C)=O)C(=O)[C@H]23)C(=O)OC)C(=O)O1
Show InChI InChI=1S/C25H36O10/c1-12(26)33-16-10-15(21(28)31-5)24(2)8-7-14-22(29)34-17(11-25(14,3)20(24)19(16)27)13-9-18(30-4)35-23(13)32-6/h13-18,20,23H,7-11H2,1-6H3/t13-,14-,15-,16-,17-,18-,20-,23-,24-,25-/m0/s1
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25n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Displacement of [125I]IOXY from human kappa opioid receptor expressed in CHO cells


J Med Chem 50: 3596-603 (2007)


Article DOI: 10.1021/jm070393d
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50027234
PNG
(CHEMBL2113278)
Show SMILES [H][C@]1(C[C@@]2(C)[C@@]([H])(CC[C@@]3(C)[C@@H](C[C@H](OC(C)=O)C(=O)[C@]23[H])C(=O)OC)C(=O)O1)C1CC(OC)OC1OC
Show InChI InChI=1S/C25H36O10/c1-12(26)33-16-10-15(21(28)31-5)24(2)8-7-14-22(29)34-17(11-25(14,3)20(24)19(16)27)13-9-18(30-4)35-23(13)32-6/h13-18,20,23H,7-11H2,1-6H3/t13?,14-,15-,16-,17-,18?,20-,23?,24-,25-/m0/s1
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40n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Displacement of [125I]IOXY from human kappa opioid receptor expressed in CHO cells


J Med Chem 50: 3596-603 (2007)


Article DOI: 10.1021/jm070393d
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50216142
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-6a,1...)
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)c1nc(C)no1 |r|
Show InChI InChI=1S/C22H28N2O8/c1-10-23-18(32-24-10)15-9-22(4)12(20(28)31-15)6-7-21(3)13(19(27)29-5)8-14(30-11(2)25)16(26)17(21)22/h12-15,17H,6-9H2,1-5H3/t12-,13-,14-,15-,17-,21-,22-/m0/s1
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56n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Displacement of [125I]IOXY from human kappa opioid receptor expressed in CHO cells


J Med Chem 50: 3596-603 (2007)


Article DOI: 10.1021/jm070393d
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50216136
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-2-((...)
Show SMILES CO[C@@H]1C[C@H]([C@H](OC)O1)[C@@H]1C[C@@]2(C)[C@@H](CC[C@@]3(C)[C@@H](C[C@H](OC(C)=O)C(=O)[C@H]23)C(=O)OC)C(=O)O1
Show InChI InChI=1S/C25H36O10/c1-12(26)33-16-10-15(21(28)31-5)24(2)8-7-14-22(29)34-17(11-25(14,3)20(24)19(16)27)13-9-18(30-4)35-23(13)32-6/h13-18,20,23H,7-11H2,1-6H3/t13-,14-,15-,16-,17-,18-,20-,23+,24-,25-/m0/s1
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125n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Displacement of [125I]IOXY from human kappa opioid receptor expressed in CHO cells


J Med Chem 50: 3596-603 (2007)


Article DOI: 10.1021/jm070393d
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50216134
PNG
((4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-2-((2R,...)
Show SMILES CO[C@H]1O[C@@H](OC)C(=C1)[C@@H]1C[C@@]2(C)[C@@H](CC[C@@]3(C)[C@@H](C[C@H](OC(C)=O)C(=O)[C@H]23)C(=O)OC)C(=O)O1 |c:7|
Show InChI InChI=1S/C25H34O10/c1-12(26)33-16-10-15(21(28)31-5)24(2)8-7-14-22(29)34-17(11-25(14,3)20(24)19(16)27)13-9-18(30-4)35-23(13)32-6/h9,14-18,20,23H,7-8,10-11H2,1-6H3/t14-,15-,16-,17-,18-,20-,23+,24-,25-/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 [125I]IOXY from human kappa opioid receptor expressed in CHO cells


J Med Chem 50: 3596-603 (2007)


Article DOI: 10.1021/jm070393d
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50189136
PNG
(CHEMBL424698 | Salvinorin B)
Show SMILES COC(=O)[C@@H]1C[C@H](O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C21H26O7/c1-20-6-4-12-19(25)28-15(11-5-7-27-10-11)9-21(12,2)17(20)16(23)14(22)8-13(20)18(24)26-3/h5,7,10,12-15,17,22H,4,6,8-9H2,1-3H3/t12-,13-,14-,15-,17-,20-,21-/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 [125I]IOXY from human kappa opioid receptor expressed in CHO cells


J Med Chem 50: 3596-603 (2007)


Article DOI: 10.1021/jm070393d
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50216143
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-2-(4...)
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)C1=NCCO1 |t:29|
Show InChI InChI=1S/C22H29NO8/c1-11(24)30-14-9-13(19(26)28-4)21(2)6-5-12-20(27)31-15(18-23-7-8-29-18)10-22(12,3)17(21)16(14)25/h12-15,17H,5-10H2,1-4H3/t12-,13-,14-,15-,17-,21-,22-/m0/s1
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300n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Displacement of [125I]IOXY from human kappa opioid receptor expressed in CHO cells


J Med Chem 50: 3596-603 (2007)


Article DOI: 10.1021/jm070393d
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50027232
PNG
(SALVINICIN A | Salvinicin A)
Show SMILES [H][C@]1(C[C@@]2(C)[C@@]([H])(CC[C@@]3(C)[C@@H](C[C@H](OC(C)=O)C(=O)[C@]23[H])C(=O)OC)C(=O)O1)[C@@]1(O)[C@H](O)[C@@H](OC)O[C@H]1OC |r|
Show InChI InChI=1/C25H36O12/c1-11(26)35-14-9-13(19(29)32-4)23(2)8-7-12-20(30)36-15(10-24(12,3)17(23)16(14)27)25(31)18(28)21(33-5)37-22(25)34-6/h12-15,17-18,21-22,28,31H,7-10H2,1-6H3/t12-,13-,14-,15-,17-,18+,21-,22+,23-,24-,25+/s2
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390n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Displacement of [125I]IOXY from human kappa opioid receptor expressed in CHO cells


J Med Chem 50: 3596-603 (2007)


Article DOI: 10.1021/jm070393d
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50216139
PNG
((4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-2-((2S,...)
Show SMILES CO[C@H]1O[C@H](OC)C(=C1)[C@@H]1C[C@@]2(C)[C@@H](CC[C@@]3(C)[C@@H](C[C@H](OC(C)=O)C(=O)[C@H]23)C(=O)OC)C(=O)O1 |c:7|
Show InChI InChI=1S/C25H34O10/c1-12(26)33-16-10-15(21(28)31-5)24(2)8-7-14-22(29)34-17(11-25(14,3)20(24)19(16)27)13-9-18(30-4)35-23(13)32-6/h9,14-18,20,23H,7-8,10-11H2,1-6H3/t14-,15-,16-,17-,18-,20-,23-,24-,25-/m0/s1
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420n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Displacement of [125I]IOXY from human kappa opioid receptor expressed in CHO cells


J Med Chem 50: 3596-603 (2007)


Article DOI: 10.1021/jm070393d
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50216142
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-6a,1...)
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)c1nc(C)no1 |r|
Show InChI InChI=1S/C22H28N2O8/c1-10-23-18(32-24-10)15-9-22(4)12(20(28)31-15)6-7-21(3)13(19(27)29-5)8-14(30-11(2)25)16(26)17(21)22/h12-15,17H,6-9H2,1-5H3/t12-,13-,14-,15-,17-,21-,22-/m0/s1
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430n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opioid receptor expressed in CHO cells by [35S]GTP-gamma-S binding assay


J Med Chem 50: 3596-603 (2007)


Article DOI: 10.1021/jm070393d
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50216140
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-2-(2...)
Show SMILES COC1OC(OC)C(=C1)[C@@H]1C[C@@]2(C)[C@@H](CC[C@@]3(C)[C@@H](C[C@H](OC(C)=O)C(=O)[C@H]23)C(=O)OC)C(=O)O1 |c:7|
Show InChI InChI=1S/C25H34O10/c1-12(26)33-16-10-15(21(28)31-5)24(2)8-7-14-22(29)34-17(11-25(14,3)20(24)19(16)27)13-9-18(30-4)35-23(13)32-6/h9,14-18,20,23H,7-8,10-11H2,1-6H3/t14-,15-,16-,17-,18?,20-,23?,24-,25-/m0/s1
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440n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Displacement of [125I]IOXY from human kappa opioid receptor expressed in CHO cells


J Med Chem 50: 3596-603 (2007)


Article DOI: 10.1021/jm070393d
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50216135
PNG
((1R,2R,4aR,5R,7S,8aR)-7-acetoxy-5-(methoxycarbonyl...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@@H]2[C@@](C)(CCC3CCOC3)[C@@H](CC[C@@]12C)C(O)=O
Show InChI InChI=1S/C23H34O8/c1-13(24)31-17-11-16(21(28)29-4)23(3)9-6-15(20(26)27)22(2,19(23)18(17)25)8-5-14-7-10-30-12-14/h14-17,19H,5-12H2,1-4H3,(H,26,27)/t14?,15-,16-,17-,19+,22-,23-/m0/s1
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910n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Displacement of [125I]IOXY from human kappa opioid receptor expressed in CHO cells


J Med Chem 50: 3596-603 (2007)


Article DOI: 10.1021/jm070393d
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50216144
PNG
((2S,4aS,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-6a,1...)
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)c1nc(C)no1
Show InChI InChI=1S/C22H28N2O8/c1-10-23-18(32-24-10)15-9-22(4)12(20(28)31-15)6-7-21(3)13(19(27)29-5)8-14(30-11(2)25)16(26)17(21)22/h12-15,17H,6-9H2,1-5H3/t12-,13+,14+,15+,17+,21+,22+/m1/s1
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990n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Displacement of [125I]IOXY from human kappa opioid receptor expressed in CHO cells


J Med Chem 50: 3596-603 (2007)


Article DOI: 10.1021/jm070393d
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50216133
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-2-((...)
Show SMILES CO[C@@H]1C[C@H]([C@@H](OC)O1)[C@@H]1C[C@@]2(C)[C@@H](CC[C@@]3(C)[C@@H](C[C@H](OC(C)=O)C(=O)[C@H]23)C(=O)OC)C(=O)O1
Show InChI InChI=1S/C25H36O10/c1-12(26)33-16-10-15(21(28)31-5)24(2)8-7-14-22(29)34-17(11-25(14,3)20(24)19(16)27)13-9-18(30-4)35-23(13)32-6/h13-18,20,23H,7-11H2,1-6H3/t13-,14-,15-,16-,17-,18-,20-,23-,24-,25-/m0/s1
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1.37E+3n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opioid receptor expressed in CHO cells by [35S]GTP-gamma-S binding assay


J Med Chem 50: 3596-603 (2007)


Article DOI: 10.1021/jm070393d
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50216132
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-2-(2...)
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)c1ccoc1Br |r|
Show InChI InChI=1S/C23H27BrO8/c1-11(25)31-15-9-14(20(27)29-4)22(2)7-5-13-21(28)32-16(12-6-8-30-19(12)24)10-23(13,3)18(22)17(15)26/h6,8,13-16,18H,5,7,9-10H2,1-4H3/t13-,14-,15-,16-,18-,22-,23-/m0/s1
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1.45E+3n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opioid receptor expressed in CHO cells by [35S]GTP-gamma-S binding assay


J Med Chem 50: 3596-603 (2007)


Article DOI: 10.1021/jm070393d
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50216144
PNG
((2S,4aS,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-6a,1...)
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)c1nc(C)no1
Show InChI InChI=1S/C22H28N2O8/c1-10-23-18(32-24-10)15-9-22(4)12(20(28)31-15)6-7-21(3)13(19(27)29-5)8-14(30-11(2)25)16(26)17(21)22/h12-15,17H,6-9H2,1-5H3/t12-,13+,14+,15+,17+,21+,22+/m1/s1
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1.53E+3n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opioid receptor expressed in CHO cells by [35S]GTP-gamma-S binding assay


J Med Chem 50: 3596-603 (2007)


Article DOI: 10.1021/jm070393d
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50216139
PNG
((4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-2-((2S,...)
Show SMILES CO[C@H]1O[C@H](OC)C(=C1)[C@@H]1C[C@@]2(C)[C@@H](CC[C@@]3(C)[C@@H](C[C@H](OC(C)=O)C(=O)[C@H]23)C(=O)OC)C(=O)O1 |c:7|
Show InChI InChI=1S/C25H34O10/c1-12(26)33-16-10-15(21(28)31-5)24(2)8-7-14-22(29)34-17(11-25(14,3)20(24)19(16)27)13-9-18(30-4)35-23(13)32-6/h9,14-18,20,23H,7-8,10-11H2,1-6H3/t14-,15-,16-,17-,18-,20-,23-,24-,25-/m0/s1
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2.32E+3n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opioid receptor expressed in CHO cells by [35S]GTP-gamma-S binding assay


J Med Chem 50: 3596-603 (2007)


Article DOI: 10.1021/jm070393d
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50216134
PNG
((4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-2-((2R,...)
Show SMILES CO[C@H]1O[C@@H](OC)C(=C1)[C@@H]1C[C@@]2(C)[C@@H](CC[C@@]3(C)[C@@H](C[C@H](OC(C)=O)C(=O)[C@H]23)C(=O)OC)C(=O)O1 |c:7|
Show InChI InChI=1S/C25H34O10/c1-12(26)33-16-10-15(21(28)31-5)24(2)8-7-14-22(29)34-17(11-25(14,3)20(24)19(16)27)13-9-18(30-4)35-23(13)32-6/h9,14-18,20,23H,7-8,10-11H2,1-6H3/t14-,15-,16-,17-,18-,20-,23+,24-,25-/m0/s1
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2.93E+3n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opioid receptor expressed in CHO cells by [35S]GTP-gamma-S binding assay


J Med Chem 50: 3596-603 (2007)


Article DOI: 10.1021/jm070393d
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50216139
PNG
((4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-2-((2S,...)
Show SMILES CO[C@H]1O[C@H](OC)C(=C1)[C@@H]1C[C@@]2(C)[C@@H](CC[C@@]3(C)[C@@H](C[C@H](OC(C)=O)C(=O)[C@H]23)C(=O)OC)C(=O)O1 |c:7|
Show InChI InChI=1S/C25H34O10/c1-12(26)33-16-10-15(21(28)31-5)24(2)8-7-14-22(29)34-17(11-25(14,3)20(24)19(16)27)13-9-18(30-4)35-23(13)32-6/h9,14-18,20,23H,7-8,10-11H2,1-6H3/t14-,15-,16-,17-,18-,20-,23-,24-,25-/m0/s1
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3.19E+3n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Displacement of [125I]IOXY from human mu opioid receptor expressed in CHO cells


J Med Chem 50: 3596-603 (2007)


Article DOI: 10.1021/jm070393d
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50216131
PNG
((4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-6a,10b-...)
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)OCC[C@]21C
Show InChI InChI=1S/C19H26O7/c1-10(20)26-13-9-12(16(22)24-4)18(2)6-5-11-17(23)25-8-7-19(11,3)15(18)14(13)21/h11-13,15H,5-9H2,1-4H3/t11-,12-,13-,15-,18-,19-/m0/s1
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3.40E+3n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Displacement of [125I]IOXY from human kappa opioid receptor expressed in CHO cells


J Med Chem 50: 3596-603 (2007)


Article DOI: 10.1021/jm070393d
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50216134
PNG
((4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-2-((2R,...)
Show SMILES CO[C@H]1O[C@@H](OC)C(=C1)[C@@H]1C[C@@]2(C)[C@@H](CC[C@@]3(C)[C@@H](C[C@H](OC(C)=O)C(=O)[C@H]23)C(=O)OC)C(=O)O1 |c:7|
Show InChI InChI=1S/C25H34O10/c1-12(26)33-16-10-15(21(28)31-5)24(2)8-7-14-22(29)34-17(11-25(14,3)20(24)19(16)27)13-9-18(30-4)35-23(13)32-6/h9,14-18,20,23H,7-8,10-11H2,1-6H3/t14-,15-,16-,17-,18-,20-,23+,24-,25-/m0/s1
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3.74E+3n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Displacement of [125I]IOXY from human mu opioid receptor expressed in CHO cells


J Med Chem 50: 3596-603 (2007)


Article DOI: 10.1021/jm070393d
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50027234
PNG
(CHEMBL2113278)
Show SMILES [H][C@]1(C[C@@]2(C)[C@@]([H])(CC[C@@]3(C)[C@@H](C[C@H](OC(C)=O)C(=O)[C@]23[H])C(=O)OC)C(=O)O1)C1CC(OC)OC1OC
Show InChI InChI=1S/C25H36O10/c1-12(26)33-16-10-15(21(28)31-5)24(2)8-7-14-22(29)34-17(11-25(14,3)20(24)19(16)27)13-9-18(30-4)35-23(13)32-6/h13-18,20,23H,7-11H2,1-6H3/t13?,14-,15-,16-,17-,18?,20-,23?,24-,25-/m0/s1
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4.81E+3n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Displacement of [125I]IOXY from human mu opioid receptor expressed in CHO cells


J Med Chem 50: 3596-603 (2007)


Article DOI: 10.1021/jm070393d
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50027233
PNG
(SALVINICIN B | Salvinicin B)
Show SMILES [H][C@@]1(CC(=O)[C@]2([H])CC[C@@]3(C)[C@@H](C[C@H](OC(C)=O)C(=O)[C@]3([H])[C@@]2(C)C1)C(=O)OC)[C@@]1(O)[C@H](O)[C@H](OC)O[C@@H]1OC |r|
Show InChI InChI=1/C26H38O11/c1-12(27)36-17-10-15(21(31)33-4)24(2)8-7-14-16(28)9-13(11-25(14,3)19(24)18(17)29)26(32)20(30)22(34-5)37-23(26)35-6/h13-15,17,19-20,22-23,30,32H,7-11H2,1-6H3/t13-,14-,15-,17-,19-,20+,22+,23-,24-,25-,26+/s2
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7.02E+3n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Displacement of [125I]IOXY from human kappa opioid receptor expressed in CHO cells


J Med Chem 50: 3596-603 (2007)


Article DOI: 10.1021/jm070393d
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50159168
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-6a,1...)
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
Show InChI InChI=1S/C23H32O8/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/h13-17,19H,5-11H2,1-4H3/t13?,14-,15-,16-,17-,19-,22-,23-/m0/s1
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7.24E+3n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opioid receptor expressed in CHO cells by [35S]GTP-gamma-S binding assay


J Med Chem 50: 3596-603 (2007)


Article DOI: 10.1021/jm070393d
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50216132
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-2-(2...)
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)c1ccoc1Br |r|
Show InChI InChI=1S/C23H27BrO8/c1-11(25)31-15-9-14(20(27)29-4)22(2)7-5-13-21(28)32-16(12-6-8-30-19(12)24)10-23(13,3)18(22)17(15)26/h6,8,13-16,18H,5,7,9-10H2,1-4H3/t13-,14-,15-,16-,18-,22-,23-/m0/s1
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7.62E+3n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Displacement of [125I]IOXY from human delta opioid receptor expressed in CHO cells


J Med Chem 50: 3596-603 (2007)


Article DOI: 10.1021/jm070393d
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50371092
PNG
(CHEMBL427280)
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)[C@@H]1CCOC1
Show InChI InChI=1S/C23H32O8/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/h13-17,19H,5-11H2,1-4H3/t13-,14+,15+,16+,17+,19+,22+,23+/m1/s1
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9.79E+3n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opioid receptor expressed in CHO cells by [35S]GTP-gamma-S binding assay


J Med Chem 50: 3596-603 (2007)


Article DOI: 10.1021/jm070393d
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50216133
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-2-((...)
Show SMILES CO[C@@H]1C[C@H]([C@@H](OC)O1)[C@@H]1C[C@@]2(C)[C@@H](CC[C@@]3(C)[C@@H](C[C@H](OC(C)=O)C(=O)[C@H]23)C(=O)OC)C(=O)O1
Show InChI InChI=1S/C25H36O10/c1-12(26)33-16-10-15(21(28)31-5)24(2)8-7-14-22(29)34-17(11-25(14,3)20(24)19(16)27)13-9-18(30-4)35-23(13)32-6/h13-18,20,23H,7-11H2,1-6H3/t13-,14-,15-,16-,17-,18-,20-,23-,24-,25-/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 [125I]IOXY from human delta opioid receptor expressed in CHO cells


J Med Chem 50: 3596-603 (2007)


Article DOI: 10.1021/jm070393d
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50216131
PNG
((4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-6a,10b-...)
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)OCC[C@]21C
Show InChI InChI=1S/C19H26O7/c1-10(20)26-13-9-12(16(22)24-4)18(2)6-5-11-17(23)25-8-7-19(11,3)15(18)14(13)21/h11-13,15H,5-9H2,1-4H3/t11-,12-,13-,15-,18-,19-/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 [125I]IOXY from human delta opioid receptor expressed in CHO cells


J Med Chem 50: 3596-603 (2007)


Article DOI: 10.1021/jm070393d
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50371092
PNG
(CHEMBL427280)
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)[C@@H]1CCOC1
Show InChI InChI=1S/C23H32O8/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/h13-17,19H,5-11H2,1-4H3/t13-,14+,15+,16+,17+,19+,22+,23+/m1/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 [125I]IOXY from human delta opioid receptor expressed in CHO cells


J Med Chem 50: 3596-603 (2007)


Article DOI: 10.1021/jm070393d
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50216145
PNG
(CHEMBL226727 | methyl (1S,2R,7R,10R,11R,13S)-13-(a...)
Show SMILES CO[C@@H]1O[C@H](OC)[C@](O)([C@@H]1OC(C)=O)C1C[C@@]2(C)[C@@H](CC[C@@]3(C)[C@@H](C[C@H](OC(C)=O)C(=O)[C@H]23)C(=O)OC)C(=O)O1
Show InChI InChI=1S/C27H38O13/c1-12(28)37-16-10-15(21(31)34-5)25(3)9-8-14-22(32)39-17(11-26(14,4)19(25)18(16)30)27(33)20(38-13(2)29)23(35-6)40-24(27)36-7/h14-17,19-20,23-24,33H,8-11H2,1-7H3/t14-,15-,16-,17?,19-,20+,23+,24-,25-,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
Antagonist activity at human mu opioid receptor expressed in CHO cells by [35S]GTP-gamma-S binding assay


J Med Chem 50: 3596-603 (2007)


Article DOI: 10.1021/jm070393d
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50216133
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-2-((...)
Show SMILES CO[C@@H]1C[C@H]([C@@H](OC)O1)[C@@H]1C[C@@]2(C)[C@@H](CC[C@@]3(C)[C@@H](C[C@H](OC(C)=O)C(=O)[C@H]23)C(=O)OC)C(=O)O1
Show InChI InChI=1S/C25H36O10/c1-12(26)33-16-10-15(21(28)31-5)24(2)8-7-14-22(29)34-17(11-25(14,3)20(24)19(16)27)13-9-18(30-4)35-23(13)32-6/h13-18,20,23H,7-11H2,1-6H3/t13-,14-,15-,16-,17-,18-,20-,23-,24-,25-/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 [125I]IOXY from human mu opioid receptor expressed in CHO cells


J Med Chem 50: 3596-603 (2007)


Article DOI: 10.1021/jm070393d
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50189136
PNG
(CHEMBL424698 | Salvinorin B)
Show SMILES COC(=O)[C@@H]1C[C@H](O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C21H26O7/c1-20-6-4-12-19(25)28-15(11-5-7-27-10-11)9-21(12,2)17(20)16(23)14(22)8-13(20)18(24)26-3/h5,7,10,12-15,17,22H,4,6,8-9H2,1-3H3/t12-,13-,14-,15-,17-,20-,21-/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 [125I]IOXY from human delta opioid receptor expressed in CHO cells


J Med Chem 50: 3596-603 (2007)


Article DOI: 10.1021/jm070393d
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50216142
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-6a,1...)
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)c1nc(C)no1 |r|
Show InChI InChI=1S/C22H28N2O8/c1-10-23-18(32-24-10)15-9-22(4)12(20(28)31-15)6-7-21(3)13(19(27)29-5)8-14(30-11(2)25)16(26)17(21)22/h12-15,17H,6-9H2,1-5H3/t12-,13-,14-,15-,17-,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 [125I]IOXY from human delta opioid receptor expressed in CHO cells


J Med Chem 50: 3596-603 (2007)


Article DOI: 10.1021/jm070393d
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50216136
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-2-((...)
Show SMILES CO[C@@H]1C[C@H]([C@H](OC)O1)[C@@H]1C[C@@]2(C)[C@@H](CC[C@@]3(C)[C@@H](C[C@H](OC(C)=O)C(=O)[C@H]23)C(=O)OC)C(=O)O1
Show InChI InChI=1S/C25H36O10/c1-12(26)33-16-10-15(21(28)31-5)24(2)8-7-14-22(29)34-17(11-25(14,3)20(24)19(16)27)13-9-18(30-4)35-23(13)32-6/h13-18,20,23H,7-11H2,1-6H3/t13-,14-,15-,16-,17-,18-,20-,23+,24-,25-/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 [125I]IOXY from human delta opioid receptor expressed in CHO cells


J Med Chem 50: 3596-603 (2007)


Article DOI: 10.1021/jm070393d
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50189136
PNG
(CHEMBL424698 | Salvinorin B)
Show SMILES COC(=O)[C@@H]1C[C@H](O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C21H26O7/c1-20-6-4-12-19(25)28-15(11-5-7-27-10-11)9-21(12,2)17(20)16(23)14(22)8-13(20)18(24)26-3/h5,7,10,12-15,17,22H,4,6,8-9H2,1-3H3/t12-,13-,14-,15-,17-,20-,21-/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
Antagonist activity at human mu opioid receptor expressed in CHO cells by [35S]GTP-gamma-S binding assay


J Med Chem 50: 3596-603 (2007)


Article DOI: 10.1021/jm070393d
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50216140
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-2-(2...)
Show SMILES COC1OC(OC)C(=C1)[C@@H]1C[C@@]2(C)[C@@H](CC[C@@]3(C)[C@@H](C[C@H](OC(C)=O)C(=O)[C@H]23)C(=O)OC)C(=O)O1 |c:7|
Show InChI InChI=1S/C25H34O10/c1-12(26)33-16-10-15(21(28)31-5)24(2)8-7-14-22(29)34-17(11-25(14,3)20(24)19(16)27)13-9-18(30-4)35-23(13)32-6/h9,14-18,20,23H,7-8,10-11H2,1-6H3/t14-,15-,16-,17-,18?,20-,23?,24-,25-/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
Antagonist activity at human mu opioid receptor expressed in CHO cells by [35S]GTP-gamma-S binding assay


J Med Chem 50: 3596-603 (2007)


Article DOI: 10.1021/jm070393d
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50216135
PNG
((1R,2R,4aR,5R,7S,8aR)-7-acetoxy-5-(methoxycarbonyl...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@@H]2[C@@](C)(CCC3CCOC3)[C@@H](CC[C@@]12C)C(O)=O
Show InChI InChI=1S/C23H34O8/c1-13(24)31-17-11-16(21(28)29-4)23(3)9-6-15(20(26)27)22(2,19(23)18(17)25)8-5-14-7-10-30-12-14/h14-17,19H,5-12H2,1-4H3,(H,26,27)/t14?,15-,16-,17-,19+,22-,23-/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
Antagonist activity at human mu opioid receptor expressed in CHO cells by [35S]GTP-gamma-S binding assay


J Med Chem 50: 3596-603 (2007)


Article DOI: 10.1021/jm070393d
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50027232
PNG
(SALVINICIN A | Salvinicin A)
Show SMILES [H][C@]1(C[C@@]2(C)[C@@]([H])(CC[C@@]3(C)[C@@H](C[C@H](OC(C)=O)C(=O)[C@]23[H])C(=O)OC)C(=O)O1)[C@@]1(O)[C@H](O)[C@@H](OC)O[C@H]1OC |r|
Show InChI InChI=1/C25H36O12/c1-11(26)35-14-9-13(19(29)32-4)23(2)8-7-12-20(30)36-15(10-24(12,3)17(23)16(14)27)25(31)18(28)21(33-5)37-22(25)34-6/h12-15,17-18,21-22,28,31H,7-10H2,1-6H3/t12-,13-,14-,15-,17-,18+,21-,22+,23-,24-,25+/s2
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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 [125I]IOXY from human mu opioid receptor expressed in CHO cells


J Med Chem 50: 3596-603 (2007)


Article DOI: 10.1021/jm070393d
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50216135
PNG
((1R,2R,4aR,5R,7S,8aR)-7-acetoxy-5-(methoxycarbonyl...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@@H]2[C@@](C)(CCC3CCOC3)[C@@H](CC[C@@]12C)C(O)=O
Show InChI InChI=1S/C23H34O8/c1-13(24)31-17-11-16(21(28)29-4)23(3)9-6-15(20(26)27)22(2,19(23)18(17)25)8-5-14-7-10-30-12-14/h14-17,19H,5-12H2,1-4H3,(H,26,27)/t14?,15-,16-,17-,19+,22-,23-/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 [125I]IOXY from human delta opioid receptor expressed in CHO cells


J Med Chem 50: 3596-603 (2007)


Article DOI: 10.1021/jm070393d
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50216139
PNG
((4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-2-((2S,...)
Show SMILES CO[C@H]1O[C@H](OC)C(=C1)[C@@H]1C[C@@]2(C)[C@@H](CC[C@@]3(C)[C@@H](C[C@H](OC(C)=O)C(=O)[C@H]23)C(=O)OC)C(=O)O1 |c:7|
Show InChI InChI=1S/C25H34O10/c1-12(26)33-16-10-15(21(28)31-5)24(2)8-7-14-22(29)34-17(11-25(14,3)20(24)19(16)27)13-9-18(30-4)35-23(13)32-6/h9,14-18,20,23H,7-8,10-11H2,1-6H3/t14-,15-,16-,17-,18-,20-,23-,24-,25-/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 [125I]IOXY from human delta opioid receptor expressed in CHO cells


J Med Chem 50: 3596-603 (2007)


Article DOI: 10.1021/jm070393d
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50216144
PNG
((2S,4aS,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-6a,1...)
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)c1nc(C)no1
Show InChI InChI=1S/C22H28N2O8/c1-10-23-18(32-24-10)15-9-22(4)12(20(28)31-15)6-7-21(3)13(19(27)29-5)8-14(30-11(2)25)16(26)17(21)22/h12-15,17H,6-9H2,1-5H3/t12-,13+,14+,15+,17+,21+,22+/m1/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 [125I]IOXY from human mu opioid receptor expressed in CHO cells


J Med Chem 50: 3596-603 (2007)


Article DOI: 10.1021/jm070393d
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50216138
PNG
(CHEMBL227104 | methyl (1S,2R,7R,10R,11R,13S)-13-(a...)
Show SMILES CO[C@H]1O[C@@H](OC)[C@](O)([C@@H]1OC(C)=O)C1C[C@@]2(C)[C@@H](CC[C@@]3(C)[C@@H](C[C@H](OC(C)=O)C(=O)[C@H]23)C(=O)OC)C(=O)O1
Show InChI InChI=1S/C27H38O13/c1-12(28)37-16-10-15(21(31)34-5)25(3)9-8-14-22(32)39-17(11-26(14,4)19(25)18(16)30)27(33)20(38-13(2)29)23(35-6)40-24(27)36-7/h14-17,19-20,23-24,33H,8-11H2,1-7H3/t14-,15-,16-,17?,19-,20+,23-,24+,25-,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
Antagonist activity at human mu opioid receptor expressed in CHO cells by [35S]GTP-gamma-S binding assay


J Med Chem 50: 3596-603 (2007)


Article DOI: 10.1021/jm070393d
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50216134
PNG
((4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-2-((2R,...)
Show SMILES CO[C@H]1O[C@@H](OC)C(=C1)[C@@H]1C[C@@]2(C)[C@@H](CC[C@@]3(C)[C@@H](C[C@H](OC(C)=O)C(=O)[C@H]23)C(=O)OC)C(=O)O1 |c:7|
Show InChI InChI=1S/C25H34O10/c1-12(26)33-16-10-15(21(28)31-5)24(2)8-7-14-22(29)34-17(11-25(14,3)20(24)19(16)27)13-9-18(30-4)35-23(13)32-6/h9,14-18,20,23H,7-8,10-11H2,1-6H3/t14-,15-,16-,17-,18-,20-,23+,24-,25-/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 [125I]IOXY from human delta opioid receptor expressed in CHO cells


J Med Chem 50: 3596-603 (2007)


Article DOI: 10.1021/jm070393d
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50027233
PNG
(SALVINICIN B | Salvinicin B)
Show SMILES [H][C@@]1(CC(=O)[C@]2([H])CC[C@@]3(C)[C@@H](C[C@H](OC(C)=O)C(=O)[C@]3([H])[C@@]2(C)C1)C(=O)OC)[C@@]1(O)[C@H](O)[C@H](OC)O[C@@H]1OC |r|
Show InChI InChI=1/C26H38O11/c1-12(27)36-17-10-15(21(31)33-4)24(2)8-7-14-16(28)9-13(11-25(14,3)19(24)18(17)29)26(32)20(30)22(34-5)37-23(26)35-6/h13-15,17,19-20,22-23,30,32H,7-11H2,1-6H3/t13-,14-,15-,17-,19-,20+,22+,23-,24-,25-,26+/s2
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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 [125I]IOXY from human delta opioid receptor expressed in CHO cells


J Med Chem 50: 3596-603 (2007)


Article DOI: 10.1021/jm070393d
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50027232
PNG
(SALVINICIN A | Salvinicin A)
Show SMILES [H][C@]1(C[C@@]2(C)[C@@]([H])(CC[C@@]3(C)[C@@H](C[C@H](OC(C)=O)C(=O)[C@]23[H])C(=O)OC)C(=O)O1)[C@@]1(O)[C@H](O)[C@@H](OC)O[C@H]1OC |r|
Show InChI InChI=1/C25H36O12/c1-11(26)35-14-9-13(19(29)32-4)23(2)8-7-12-20(30)36-15(10-24(12,3)17(23)16(14)27)25(31)18(28)21(33-5)37-22(25)34-6/h12-15,17-18,21-22,28,31H,7-10H2,1-6H3/t12-,13-,14-,15-,17-,18+,21-,22+,23-,24-,25+/s2
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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 [125I]IOXY from human delta opioid receptor expressed in CHO cells


J Med Chem 50: 3596-603 (2007)


Article DOI: 10.1021/jm070393d
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50159168
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-6a,1...)
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
Show InChI InChI=1S/C23H32O8/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/h13-17,19H,5-11H2,1-4H3/t13?,14-,15-,16-,17-,19-,22-,23-/m0/s1
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The University of Iowa

Curated by ChEMBL


Assay Description
Displacement of [125I]IOXY from human delta opioid receptor expressed in CHO cells


J Med Chem 50: 3596-603 (2007)


Article DOI: 10.1021/jm070393d
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50216145
PNG
(CHEMBL226727 | methyl (1S,2R,7R,10R,11R,13S)-13-(a...)
Show SMILES CO[C@@H]1O[C@H](OC)[C@](O)([C@@H]1OC(C)=O)C1C[C@@]2(C)[C@@H](CC[C@@]3(C)[C@@H](C[C@H](OC(C)=O)C(=O)[C@H]23)C(=O)OC)C(=O)O1
Show InChI InChI=1S/C27H38O13/c1-12(28)37-16-10-15(21(31)34-5)25(3)9-8-14-22(32)39-17(11-26(14,4)19(25)18(16)30)27(33)20(38-13(2)29)23(35-6)40-24(27)36-7/h14-17,19-20,23-24,33H,8-11H2,1-7H3/t14-,15-,16-,17?,19-,20+,23+,24-,25-,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 [125I]IOXY from human delta opioid receptor expressed in CHO cells


J Med Chem 50: 3596-603 (2007)


Article DOI: 10.1021/jm070393d
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50216142
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-6a,1...)
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)c1nc(C)no1 |r|
Show InChI InChI=1S/C22H28N2O8/c1-10-23-18(32-24-10)15-9-22(4)12(20(28)31-15)6-7-21(3)13(19(27)29-5)8-14(30-11(2)25)16(26)17(21)22/h12-15,17H,6-9H2,1-5H3/t12-,13-,14-,15-,17-,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
Antagonist activity at human mu opioid receptor expressed in CHO cells by [35S]GTP-gamma-S binding assay


J Med Chem 50: 3596-603 (2007)


Article DOI: 10.1021/jm070393d
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50027234
PNG
(CHEMBL2113278)
Show SMILES [H][C@]1(C[C@@]2(C)[C@@]([H])(CC[C@@]3(C)[C@@H](C[C@H](OC(C)=O)C(=O)[C@]23[H])C(=O)OC)C(=O)O1)C1CC(OC)OC1OC
Show InChI InChI=1S/C25H36O10/c1-12(26)33-16-10-15(21(28)31-5)24(2)8-7-14-22(29)34-17(11-25(14,3)20(24)19(16)27)13-9-18(30-4)35-23(13)32-6/h13-18,20,23H,7-11H2,1-6H3/t13?,14-,15-,16-,17-,18?,20-,23?,24-,25-/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 [125I]IOXY from human delta opioid receptor expressed in CHO cells


J Med Chem 50: 3596-603 (2007)


Article DOI: 10.1021/jm070393d
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50216144
PNG
((2S,4aS,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-6a,1...)
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)c1nc(C)no1
Show InChI InChI=1S/C22H28N2O8/c1-10-23-18(32-24-10)15-9-22(4)12(20(28)31-15)6-7-21(3)13(19(27)29-5)8-14(30-11(2)25)16(26)17(21)22/h12-15,17H,6-9H2,1-5H3/t12-,13+,14+,15+,17+,21+,22+/m1/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 [125I]IOXY from human delta opioid receptor expressed in CHO cells


J Med Chem 50: 3596-603 (2007)


Article DOI: 10.1021/jm070393d
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50216140
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-2-(2...)
Show SMILES COC1OC(OC)C(=C1)[C@@H]1C[C@@]2(C)[C@@H](CC[C@@]3(C)[C@@H](C[C@H](OC(C)=O)C(=O)[C@H]23)C(=O)OC)C(=O)O1 |c:7|
Show InChI InChI=1S/C25H34O10/c1-12(26)33-16-10-15(21(28)31-5)24(2)8-7-14-22(29)34-17(11-25(14,3)20(24)19(16)27)13-9-18(30-4)35-23(13)32-6/h9,14-18,20,23H,7-8,10-11H2,1-6H3/t14-,15-,16-,17-,18?,20-,23?,24-,25-/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 [125I]IOXY from human delta opioid receptor expressed in CHO cells


J Med Chem 50: 3596-603 (2007)


Article DOI: 10.1021/jm070393d
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50216138
PNG
(CHEMBL227104 | methyl (1S,2R,7R,10R,11R,13S)-13-(a...)
Show SMILES CO[C@H]1O[C@@H](OC)[C@](O)([C@@H]1OC(C)=O)C1C[C@@]2(C)[C@@H](CC[C@@]3(C)[C@@H](C[C@H](OC(C)=O)C(=O)[C@H]23)C(=O)OC)C(=O)O1
Show InChI InChI=1S/C27H38O13/c1-12(28)37-16-10-15(21(31)34-5)25(3)9-8-14-22(32)39-17(11-26(14,4)19(25)18(16)30)27(33)20(38-13(2)29)23(35-6)40-24(27)36-7/h14-17,19-20,23-24,33H,8-11H2,1-7H3/t14-,15-,16-,17?,19-,20+,23-,24+,25-,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 [125I]IOXY from human kappa opioid receptor expressed in CHO cells


J Med Chem 50: 3596-603 (2007)


Article DOI: 10.1021/jm070393d
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50216136
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-2-((...)
Show SMILES CO[C@@H]1C[C@H]([C@H](OC)O1)[C@@H]1C[C@@]2(C)[C@@H](CC[C@@]3(C)[C@@H](C[C@H](OC(C)=O)C(=O)[C@H]23)C(=O)OC)C(=O)O1
Show InChI InChI=1S/C25H36O10/c1-12(26)33-16-10-15(21(28)31-5)24(2)8-7-14-22(29)34-17(11-25(14,3)20(24)19(16)27)13-9-18(30-4)35-23(13)32-6/h13-18,20,23H,7-11H2,1-6H3/t13-,14-,15-,16-,17-,18-,20-,23+,24-,25-/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
Antagonist activity at human mu opioid receptor expressed in CHO cells by [35S]GTP-gamma-S binding assay


J Med Chem 50: 3596-603 (2007)


Article DOI: 10.1021/jm070393d
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50216131
PNG
((4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-6a,10b-...)
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)OCC[C@]21C
Show InChI InChI=1S/C19H26O7/c1-10(20)26-13-9-12(16(22)24-4)18(2)6-5-11-17(23)25-8-7-19(11,3)15(18)14(13)21/h11-13,15H,5-9H2,1-4H3/t11-,12-,13-,15-,18-,19-/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
Antagonist activity at human mu opioid receptor expressed in CHO cells by [35S]GTP-gamma-S binding assay


J Med Chem 50: 3596-603 (2007)


Article DOI: 10.1021/jm070393d
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50216143
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-2-(4...)
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)C1=NCCO1 |t:29|
Show InChI InChI=1S/C22H29NO8/c1-11(24)30-14-9-13(19(26)28-4)21(2)6-5-12-20(27)31-15(18-23-7-8-29-18)10-22(12,3)17(21)16(14)25/h12-15,17H,5-10H2,1-4H3/t12-,13-,14-,15-,17-,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
Antagonist activity at human mu opioid receptor expressed in CHO cells by [35S]GTP-gamma-S binding assay


J Med Chem 50: 3596-603 (2007)


Article DOI: 10.1021/jm070393d
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50027233
PNG
(SALVINICIN B | Salvinicin B)
Show SMILES [H][C@@]1(CC(=O)[C@]2([H])CC[C@@]3(C)[C@@H](C[C@H](OC(C)=O)C(=O)[C@]3([H])[C@@]2(C)C1)C(=O)OC)[C@@]1(O)[C@H](O)[C@H](OC)O[C@@H]1OC |r|
Show InChI InChI=1/C26H38O11/c1-12(27)36-17-10-15(21(31)33-4)24(2)8-7-14-16(28)9-13(11-25(14,3)19(24)18(17)29)26(32)20(30)22(34-5)37-23(26)35-6/h13-15,17,19-20,22-23,30,32H,7-11H2,1-6H3/t13-,14-,15-,17-,19-,20+,22+,23-,24-,25-,26+/s2
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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 [125I]IOXY from human mu opioid receptor expressed in CHO cells


J Med Chem 50: 3596-603 (2007)


Article DOI: 10.1021/jm070393d
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50216143
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-2-(4...)
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)C1=NCCO1 |t:29|
Show InChI InChI=1S/C22H29NO8/c1-11(24)30-14-9-13(19(26)28-4)21(2)6-5-12-20(27)31-15(18-23-7-8-29-18)10-22(12,3)17(21)16(14)25/h12-15,17H,5-10H2,1-4H3/t12-,13-,14-,15-,17-,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 [125I]IOXY from human delta opioid receptor expressed in CHO cells


J Med Chem 50: 3596-603 (2007)


Article DOI: 10.1021/jm070393d
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50216138
PNG
(CHEMBL227104 | methyl (1S,2R,7R,10R,11R,13S)-13-(a...)
Show SMILES CO[C@H]1O[C@@H](OC)[C@](O)([C@@H]1OC(C)=O)C1C[C@@]2(C)[C@@H](CC[C@@]3(C)[C@@H](C[C@H](OC(C)=O)C(=O)[C@H]23)C(=O)OC)C(=O)O1
Show InChI InChI=1S/C27H38O13/c1-12(28)37-16-10-15(21(31)34-5)25(3)9-8-14-22(32)39-17(11-26(14,4)19(25)18(16)30)27(33)20(38-13(2)29)23(35-6)40-24(27)36-7/h14-17,19-20,23-24,33H,8-11H2,1-7H3/t14-,15-,16-,17?,19-,20+,23-,24+,25-,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 [125I]IOXY from human delta opioid receptor expressed in CHO cells


J Med Chem 50: 3596-603 (2007)


Article DOI: 10.1021/jm070393d
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50216145
PNG
(CHEMBL226727 | methyl (1S,2R,7R,10R,11R,13S)-13-(a...)
Show SMILES CO[C@@H]1O[C@H](OC)[C@](O)([C@@H]1OC(C)=O)C1C[C@@]2(C)[C@@H](CC[C@@]3(C)[C@@H](C[C@H](OC(C)=O)C(=O)[C@H]23)C(=O)OC)C(=O)O1
Show InChI InChI=1S/C27H38O13/c1-12(28)37-16-10-15(21(31)34-5)25(3)9-8-14-22(32)39-17(11-26(14,4)19(25)18(16)30)27(33)20(38-13(2)29)23(35-6)40-24(27)36-7/h14-17,19-20,23-24,33H,8-11H2,1-7H3/t14-,15-,16-,17?,19-,20+,23+,24-,25-,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 [125I]IOXY from human kappa opioid receptor expressed in CHO cells


J Med Chem 50: 3596-603 (2007)


Article DOI: 10.1021/jm070393d
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50216133
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-2-((...)
Show SMILES CO[C@@H]1C[C@H]([C@@H](OC)O1)[C@@H]1C[C@@]2(C)[C@@H](CC[C@@]3(C)[C@@H](C[C@H](OC(C)=O)C(=O)[C@H]23)C(=O)OC)C(=O)O1
Show InChI InChI=1S/C25H36O10/c1-12(26)33-16-10-15(21(28)31-5)24(2)8-7-14-22(29)34-17(11-25(14,3)20(24)19(16)27)13-9-18(30-4)35-23(13)32-6/h13-18,20,23H,7-11H2,1-6H3/t13-,14-,15-,16-,17-,18-,20-,23-,24-,25-/m0/s1
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n/an/an/an/a 2.35E+3n/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Antagonist activity at human kappa opioid receptor expressed in CHO cells by [35S]GTP-gamma-S binding assay


J Med Chem 50: 3596-603 (2007)


Article DOI: 10.1021/jm070393d
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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n/an/an/an/a 45n/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Antagonist activity at human kappa opioid receptor expressed in CHO cells by [35S]GTP-gamma-S binding assay


J Med Chem 50: 3596-603 (2007)


Article DOI: 10.1021/jm070393d
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50371092
PNG
(CHEMBL427280)
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)[C@@H]1CCOC1
Show InChI InChI=1S/C23H32O8/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/h13-17,19H,5-11H2,1-4H3/t13-,14+,15+,16+,17+,19+,22+,23+/m1/s1
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n/an/an/an/a 750n/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Antagonist activity at human kappa opioid receptor expressed in CHO cells by [35S]GTP-gamma-S binding assay


J Med Chem 50: 3596-603 (2007)


Article DOI: 10.1021/jm070393d
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50216132
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-2-(2...)
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)c1ccoc1Br |r|
Show InChI InChI=1S/C23H27BrO8/c1-11(25)31-15-9-14(20(27)29-4)22(2)7-5-13-21(28)32-16(12-6-8-30-19(12)24)10-23(13,3)18(22)17(15)26/h6,8,13-16,18H,5,7,9-10H2,1-4H3/t13-,14-,15-,16-,18-,22-,23-/m0/s1
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n/an/an/an/a 50n/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Antagonist activity at human kappa opioid receptor expressed in CHO cells by [35S]GTP-gamma-S binding assay


J Med Chem 50: 3596-603 (2007)


Article DOI: 10.1021/jm070393d
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50381677
PNG
(CHEMBL1256748 | U-69593)
Show SMILES CN([C@H]1C[C@@]2(CCCO2)CC[C@@H]1N1CCCC1)C(=O)Cc1ccccc1 |r|
Show InChI InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)20-17-22(11-7-15-26-22)12-10-19(20)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22+/m0/s1
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n/an/an/an/a 207n/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Antagonist activity at human kappa opioid receptor expressed in CHO cells by [35S]GTP-gamma-S binding assay


J Med Chem 50: 3596-603 (2007)


Article DOI: 10.1021/jm070393d
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%