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PubMed code 16033256

Compile data set for download or QSAR
Found 57 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
Inhibition of [125I]- IOXY binding to human Opioid receptor kappa1


J Med Chem 48: 4765-71 (2005)


Article DOI: 10.1021/jm048963m
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
Inhibition of [125I]- IOXY binding to human Opioid receptor kappa1


J Med Chem 48: 4765-71 (2005)


Article DOI: 10.1021/jm048963m
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
Inhibition of [125I]- IOXY binding to human Opioid receptor mu1


J Med Chem 48: 4765-71 (2005)


Article DOI: 10.1021/jm048963m
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50170669
PNG
((3S,4aR,4bS,6S,8R,8aR,10aR)-3-Furan-3-yl-4a,8a-dim...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(=O)Nc2ccccc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C28H31NO8/c1-27-11-9-18-25(32)36-21(16-10-12-35-15-16)14-28(18,2)23(27)22(30)20(13-19(27)24(31)34-3)37-26(33)29-17-7-5-4-6-8-17/h4-8,10,12,15,18-21,23H,9,11,13-14H2,1-3H3,(H,29,33)/t18-,19-,20-,21-,23-,27-,28-/m0/s1
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16n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of [125I]- IOXY binding to human Opioid receptor mu1


J Med Chem 48: 4765-71 (2005)


Article DOI: 10.1021/jm048963m
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50170673
PNG
((3S,4aR,4bS,6S,8R,8aR,10aR)-3-Furan-3-yl-6-isobuty...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(=O)C(C)C)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C25H32O8/c1-13(2)21(27)32-17-10-16(22(28)30-5)24(3)8-6-15-23(29)33-18(14-7-9-31-12-14)11-25(15,4)20(24)19(17)26/h7,9,12-13,15-18,20H,6,8,10-11H2,1-5H3/t15-,16-,17-,18-,20-,24-,25-/m0/s1
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19n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of [125I]- IOXY binding to human Opioid receptor kappa1


J Med Chem 48: 4765-71 (2005)


Article DOI: 10.1021/jm048963m
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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38n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of [125I]- IOXY binding to human Opioid receptor kappa1


J Med Chem 48: 4765-71 (2005)


Article DOI: 10.1021/jm048963m
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50170670
PNG
((3S,4aR,4bS,6S,8R,8aR,10aR)-3-Furan-3-yl-4a,8a-dim...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(=O)C(C)=C)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C25H30O8/c1-13(2)21(27)32-17-10-16(22(28)30-5)24(3)8-6-15-23(29)33-18(14-7-9-31-12-14)11-25(15,4)20(24)19(17)26/h7,9,12,15-18,20H,1,6,8,10-11H2,2-5H3/t15-,16-,17-,18-,20-,24-,25-/m0/s1
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42n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of [125I]- IOXY binding to human Opioid receptor kappa1


J Med Chem 48: 4765-71 (2005)


Article DOI: 10.1021/jm048963m
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50170679
PNG
((3S,4aR,4bS,6S,8R,8aR,10aR)-3-Furan-3-yl-4a,8a-dim...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(=N)C(Cl)(Cl)Cl)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C23H26Cl3NO7/c1-21-6-4-12-19(30)33-15(11-5-7-32-10-11)9-22(12,2)17(21)16(28)14(8-13(21)18(29)31-3)34-20(27)23(24,25)26/h5,7,10,12-15,17,27H,4,6,8-9H2,1-3H3/t12-,13-,14-,15-,17-,21-,22-/m0/s1
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64n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of [125I]- IOXY binding to human Opioid receptor kappa1


J Med Chem 48: 4765-71 (2005)


Article DOI: 10.1021/jm048963m
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50170668
PNG
(CHEMBL191014 | Nicotinic acid (3S,4aR,4bS,6S,8R,8a...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(=O)c2cccnc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C27H29NO8/c1-26-8-6-17-25(32)36-20(16-7-10-34-14-16)12-27(17,2)22(26)21(29)19(11-18(26)24(31)33-3)35-23(30)15-5-4-9-28-13-15/h4-5,7,9-10,13-14,17-20,22H,6,8,11-12H2,1-3H3/t17-,18-,19-,20-,22-,26-,27-/m0/s1
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73n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of [125I]- IOXY binding to human Opioid receptor mu1


J Med Chem 48: 4765-71 (2005)


Article DOI: 10.1021/jm048963m
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
Inhibition of [125I]- IOXY binding to human Opioid receptor kappa1


J Med Chem 48: 4765-71 (2005)


Article DOI: 10.1021/jm048963m
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50170669
PNG
((3S,4aR,4bS,6S,8R,8aR,10aR)-3-Furan-3-yl-4a,8a-dim...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(=O)Nc2ccccc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C28H31NO8/c1-27-11-9-18-25(32)36-21(16-10-12-35-15-16)14-28(18,2)23(27)22(30)20(13-19(27)24(31)34-3)37-26(33)29-17-7-5-4-6-8-17/h4-8,10,12,15,18-21,23H,9,11,13-14H2,1-3H3,(H,29,33)/t18-,19-,20-,21-,23-,27-,28-/m0/s1
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93n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of [125I]- IOXY binding to human Opioid receptor kappa1


J Med Chem 48: 4765-71 (2005)


Article DOI: 10.1021/jm048963m
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50170674
PNG
((3S,4aR,4bS,6S,8R,8aR,10aR)-6-Allylcarbamoyloxy-3-...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(=O)NCC=C)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C25H31NO8/c1-5-9-26-23(30)34-17-11-16(21(28)31-4)24(2)8-6-15-22(29)33-18(14-7-10-32-13-14)12-25(15,3)20(24)19(17)27/h5,7,10,13,15-18,20H,1,6,8-9,11-12H2,2-4H3,(H,26,30)/t15-,16-,17-,18-,20-,24-,25-/m0/s1
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120n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of [125I]- IOXY binding to human Opioid receptor kappa1


J Med Chem 48: 4765-71 (2005)


Article DOI: 10.1021/jm048963m
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50170669
PNG
((3S,4aR,4bS,6S,8R,8aR,10aR)-3-Furan-3-yl-4a,8a-dim...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(=O)Nc2ccccc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C28H31NO8/c1-27-11-9-18-25(32)36-21(16-10-12-35-15-16)14-28(18,2)23(27)22(30)20(13-19(27)24(31)34-3)37-26(33)29-17-7-5-4-6-8-17/h4-8,10,12,15,18-21,23H,9,11,13-14H2,1-3H3,(H,29,33)/t18-,19-,20-,21-,23-,27-,28-/m0/s1
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230n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of [125I]- IOXY binding to human Opioid receptor delta1


J Med Chem 48: 4765-71 (2005)


Article DOI: 10.1021/jm048963m
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50170670
PNG
((3S,4aR,4bS,6S,8R,8aR,10aR)-3-Furan-3-yl-4a,8a-dim...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(=O)C(C)=C)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C25H30O8/c1-13(2)21(27)32-17-10-16(22(28)30-5)24(3)8-6-15-23(29)33-18(14-7-9-31-12-14)11-25(15,4)20(24)19(17)26/h7,9,12,15-18,20H,1,6,8,10-11H2,2-5H3/t15-,16-,17-,18-,20-,24-,25-/m0/s1
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260n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of [125I]- IOXY binding to human Opioid receptor mu1


J Med Chem 48: 4765-71 (2005)


Article DOI: 10.1021/jm048963m
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50170671
PNG
(CHEMBL360404 | Oxalic acid (3S,4aR,4bS,6S,8R,8aR,1...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(=O)C(=O)OC)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C24H28O10/c1-23-7-5-13-20(27)34-16(12-6-8-32-11-12)10-24(13,2)18(23)17(25)15(9-14(23)19(26)30-3)33-22(29)21(28)31-4/h6,8,11,13-16,18H,5,7,9-10H2,1-4H3/t13-,14-,15-,16-,18-,23-,24-/m0/s1
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430n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of [125I]- IOXY binding to human Opioid receptor kappa1


J Med Chem 48: 4765-71 (2005)


Article DOI: 10.1021/jm048963m
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50170674
PNG
((3S,4aR,4bS,6S,8R,8aR,10aR)-6-Allylcarbamoyloxy-3-...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(=O)NCC=C)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C25H31NO8/c1-5-9-26-23(30)34-17-11-16(21(28)31-4)24(2)8-6-15-22(29)33-18(14-7-10-32-13-14)12-25(15,3)20(24)19(17)27/h5,7,10,13,15-18,20H,1,6,8-9,11-12H2,2-4H3,(H,26,30)/t15-,16-,17-,18-,20-,24-,25-/m0/s1
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640n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of [125I]- IOXY binding to human Opioid receptor mu1


J Med Chem 48: 4765-71 (2005)


Article DOI: 10.1021/jm048963m
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50159166
PNG
((3S,4aR,4bS,5R,6S,8R,8aR,10aR)-5,6-Diacetoxy-3-fur...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C25H32O9/c1-13(26)32-18-10-17(22(28)30-5)24(3)8-6-16-23(29)34-19(15-7-9-31-12-15)11-25(16,4)21(24)20(18)33-14(2)27/h7,9,12,16-21H,6,8,10-11H2,1-5H3/t16-,17-,18-,19-,20-,21-,24-,25-/m0/s1
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650n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of [125I]- IOXY binding to human Opioid receptor kappa1


J Med Chem 48: 4765-71 (2005)


Article DOI: 10.1021/jm048963m
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
Inhibition of [125I]- IOXY binding to human Opioid receptor mu1


J Med Chem 48: 4765-71 (2005)


Article DOI: 10.1021/jm048963m
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
Inhibition of [125I]- IOXY binding to human Opioid receptor delta1


J Med Chem 48: 4765-71 (2005)


Article DOI: 10.1021/jm048963m
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50170677
PNG
((3S,4aR,4bS,6S,8R,8aR,10aR)-3-Furan-3-yl-4a,8a-dim...)
Show SMILES COC(=O)[C@@H]1C[C@H](O[Si](C)(C)C)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C24H34O7Si/c1-23-9-7-15-22(27)30-18(14-8-10-29-13-14)12-24(15,2)20(23)19(25)17(31-32(4,5)6)11-16(23)21(26)28-3/h8,10,13,15-18,20H,7,9,11-12H2,1-6H3/t15-,16-,17-,18-,20-,23-,24-/m0/s1
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1.61E+3n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of [125I]- IOXY binding to human Opioid receptor kappa1


J Med Chem 48: 4765-71 (2005)


Article DOI: 10.1021/jm048963m
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50170668
PNG
(CHEMBL191014 | Nicotinic acid (3S,4aR,4bS,6S,8R,8a...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(=O)c2cccnc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C27H29NO8/c1-26-8-6-17-25(32)36-20(16-7-10-34-14-16)12-27(17,2)22(26)21(29)19(11-18(26)24(31)33-3)35-23(30)15-5-4-9-28-13-15/h4-5,7,9-10,13-14,17-20,22H,6,8,11-12H2,1-3H3/t17-,18-,19-,20-,22-,26-,27-/m0/s1
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1.93E+3n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of [125I]- IOXY binding to human Opioid receptor kappa1


J Med Chem 48: 4765-71 (2005)


Article DOI: 10.1021/jm048963m
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50170673
PNG
((3S,4aR,4bS,6S,8R,8aR,10aR)-3-Furan-3-yl-6-isobuty...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(=O)C(C)C)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C25H32O8/c1-13(2)21(27)32-17-10-16(22(28)30-5)24(3)8-6-15-23(29)33-18(14-7-9-31-12-14)11-25(15,4)20(24)19(17)26/h7,9,12-13,15-18,20H,6,8,10-11H2,1-5H3/t15-,16-,17-,18-,20-,24-,25-/m0/s1
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2.98E+3n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of [125I]- IOXY binding to human Opioid receptor mu1


J Med Chem 48: 4765-71 (2005)


Article DOI: 10.1021/jm048963m
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50170667
PNG
((3S,4aR,4bS,5R,6S,8R,8aR,10aR)-3-Furan-3-yl-5,6-di...)
Show SMILES COC(=O)[C@@H]1C[C@H](O)[C@H](O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C21H28O7/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/h5,7,10,12-17,22-23H,4,6,8-9H2,1-3H3/t12-,13-,14-,15-,16-,17-,20-,21-/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
Inhibition of [125I]- IOXY binding to human Opioid receptor kappa1


J Med Chem 48: 4765-71 (2005)


Article DOI: 10.1021/jm048963m
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50170668
PNG
(CHEMBL191014 | Nicotinic acid (3S,4aR,4bS,6S,8R,8a...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(=O)c2cccnc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C27H29NO8/c1-26-8-6-17-25(32)36-20(16-7-10-34-14-16)12-27(17,2)22(26)21(29)19(11-18(26)24(31)33-3)35-23(30)15-5-4-9-28-13-15/h4-5,7,9-10,13-14,17-20,22H,6,8,11-12H2,1-3H3/t17-,18-,19-,20-,22-,26-,27-/m0/s1
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4.82E+3n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of [125I]- IOXY binding to human Opioid receptor delta1


J Med Chem 48: 4765-71 (2005)


Article DOI: 10.1021/jm048963m
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50170667
PNG
((3S,4aR,4bS,5R,6S,8R,8aR,10aR)-3-Furan-3-yl-5,6-di...)
Show SMILES COC(=O)[C@@H]1C[C@H](O)[C@H](O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C21H28O7/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/h5,7,10,12-17,22-23H,4,6,8-9H2,1-3H3/t12-,13-,14-,15-,16-,17-,20-,21-/m0/s1
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5.74E+3n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of [125I]- IOXY binding to human Opioid receptor mu1


J Med Chem 48: 4765-71 (2005)


Article DOI: 10.1021/jm048963m
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
Inhibition of [125I]- IOXY binding to human Opioid receptor delta1


J Med Chem 48: 4765-71 (2005)


Article DOI: 10.1021/jm048963m
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50170674
PNG
((3S,4aR,4bS,6S,8R,8aR,10aR)-6-Allylcarbamoyloxy-3-...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(=O)NCC=C)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C25H31NO8/c1-5-9-26-23(30)34-17-11-16(21(28)31-4)24(2)8-6-15-22(29)33-18(14-7-10-32-13-14)12-25(15,3)20(24)19(17)27/h5,7,10,13,15-18,20H,1,6,8-9,11-12H2,2-4H3,(H,26,30)/t15-,16-,17-,18-,20-,24-,25-/m0/s1
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6.46E+3n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of [125I]- IOXY binding to human Opioid receptor delta1


J Med Chem 48: 4765-71 (2005)


Article DOI: 10.1021/jm048963m
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50170679
PNG
((3S,4aR,4bS,6S,8R,8aR,10aR)-3-Furan-3-yl-4a,8a-dim...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(=N)C(Cl)(Cl)Cl)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C23H26Cl3NO7/c1-21-6-4-12-19(30)33-15(11-5-7-32-10-11)9-22(12,2)17(21)16(28)14(8-13(21)18(29)31-3)34-20(27)23(24,25)26/h5,7,10,12-15,17,27H,4,6,8-9H2,1-3H3/t12-,13-,14-,15-,17-,21-,22-/m0/s1
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6.47E+3n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of [125I]- IOXY binding to human Opioid receptor delta1


J Med Chem 48: 4765-71 (2005)


Article DOI: 10.1021/jm048963m
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
Inhibition of [125I]- IOXY binding to human Opioid receptor delta1


J Med Chem 48: 4765-71 (2005)


Article DOI: 10.1021/jm048963m
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
Inhibition of [125I]- IOXY binding to human Opioid receptor mu1


J Med Chem 48: 4765-71 (2005)


Article DOI: 10.1021/jm048963m
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50170670
PNG
((3S,4aR,4bS,6S,8R,8aR,10aR)-3-Furan-3-yl-4a,8a-dim...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(=O)C(C)=C)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C25H30O8/c1-13(2)21(27)32-17-10-16(22(28)30-5)24(3)8-6-15-23(29)33-18(14-7-9-31-12-14)11-25(15,4)20(24)19(17)26/h7,9,12,15-18,20H,1,6,8,10-11H2,2-5H3/t15-,16-,17-,18-,20-,24-,25-/m0/s1
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8.88E+3n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of [125I]- IOXY binding to human Opioid receptor delta1


J Med Chem 48: 4765-71 (2005)


Article DOI: 10.1021/jm048963m
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50170675
PNG
((3S,4aR,4bS,5R,6S,8R,8aR,10aS)-3-Furan-3-yl-5,6-di...)
Show SMILES COC(=O)[C@@H]1C[C@H](O)[C@H](O)[C@H]2[C@@]1(C)CC[C@@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C21H28O7/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/h5,7,10,12-17,22-23H,4,6,8-9H2,1-3H3/t12-,13+,14+,15+,16+,17+,20+,21+/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
Inhibition of [125I]- IOXY binding to human Opioid receptor kappa1


J Med Chem 48: 4765-71 (2005)


Article DOI: 10.1021/jm048963m
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50170677
PNG
((3S,4aR,4bS,6S,8R,8aR,10aR)-3-Furan-3-yl-4a,8a-dim...)
Show SMILES COC(=O)[C@@H]1C[C@H](O[Si](C)(C)C)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C24H34O7Si/c1-23-9-7-15-22(27)30-18(14-8-10-29-13-14)12-24(15,2)20(23)19(25)17(31-32(4,5)6)11-16(23)21(26)28-3/h8,10,13,15-18,20H,7,9,11-12H2,1-6H3/t15-,16-,17-,18-,20-,23-,24-/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
Inhibition of [125I]- IOXY binding to human Opioid receptor delta1


J Med Chem 48: 4765-71 (2005)


Article DOI: 10.1021/jm048963m
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50170677
PNG
((3S,4aR,4bS,6S,8R,8aR,10aR)-3-Furan-3-yl-4a,8a-dim...)
Show SMILES COC(=O)[C@@H]1C[C@H](O[Si](C)(C)C)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C24H34O7Si/c1-23-9-7-15-22(27)30-18(14-8-10-29-13-14)12-24(15,2)20(23)19(25)17(31-32(4,5)6)11-16(23)21(26)28-3/h8,10,13,15-18,20H,7,9,11-12H2,1-6H3/t15-,16-,17-,18-,20-,23-,24-/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
Inhibition of [125I]- IOXY binding to human Opioid receptor mu1


J Med Chem 48: 4765-71 (2005)


Article DOI: 10.1021/jm048963m
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50170675
PNG
((3S,4aR,4bS,5R,6S,8R,8aR,10aS)-3-Furan-3-yl-5,6-di...)
Show SMILES COC(=O)[C@@H]1C[C@H](O)[C@H](O)[C@H]2[C@@]1(C)CC[C@@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C21H28O7/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/h5,7,10,12-17,22-23H,4,6,8-9H2,1-3H3/t12-,13+,14+,15+,16+,17+,20+,21+/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
Inhibition of [125I]- IOXY binding to human Opioid receptor delta1


J Med Chem 48: 4765-71 (2005)


Article DOI: 10.1021/jm048963m
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50170667
PNG
((3S,4aR,4bS,5R,6S,8R,8aR,10aR)-3-Furan-3-yl-5,6-di...)
Show SMILES COC(=O)[C@@H]1C[C@H](O)[C@H](O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C21H28O7/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/h5,7,10,12-17,22-23H,4,6,8-9H2,1-3H3/t12-,13-,14-,15-,16-,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
Inhibition of [125I]- IOXY binding to human Opioid receptor delta1


J Med Chem 48: 4765-71 (2005)


Article DOI: 10.1021/jm048963m
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+4n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of [125I]- IOXY binding to human Opioid receptor mu1


J Med Chem 48: 4765-71 (2005)


Article DOI: 10.1021/jm048963m
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50170671
PNG
(CHEMBL360404 | Oxalic acid (3S,4aR,4bS,6S,8R,8aR,1...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(=O)C(=O)OC)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C24H28O10/c1-23-7-5-13-20(27)34-16(12-6-8-32-11-12)10-24(13,2)18(23)17(25)15(9-14(23)19(26)30-3)33-22(29)21(28)31-4/h6,8,11,13-16,18H,5,7,9-10H2,1-4H3/t13-,14-,15-,16-,18-,23-,24-/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
Inhibition of [125I]- IOXY binding to human Opioid receptor mu1


J Med Chem 48: 4765-71 (2005)


Article DOI: 10.1021/jm048963m
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50170679
PNG
((3S,4aR,4bS,6S,8R,8aR,10aR)-3-Furan-3-yl-4a,8a-dim...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(=N)C(Cl)(Cl)Cl)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C23H26Cl3NO7/c1-21-6-4-12-19(30)33-15(11-5-7-32-10-11)9-22(12,2)17(21)16(28)14(8-13(21)18(29)31-3)34-20(27)23(24,25)26/h5,7,10,12-15,17,27H,4,6,8-9H2,1-3H3/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
Inhibition of [125I]- IOXY binding to human Opioid receptor mu1


J Med Chem 48: 4765-71 (2005)


Article DOI: 10.1021/jm048963m
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50170673
PNG
((3S,4aR,4bS,6S,8R,8aR,10aR)-3-Furan-3-yl-6-isobuty...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(=O)C(C)C)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C25H32O8/c1-13(2)21(27)32-17-10-16(22(28)30-5)24(3)8-6-15-23(29)33-18(14-7-9-31-12-14)11-25(15,4)20(24)19(17)26/h7,9,12-13,15-18,20H,6,8,10-11H2,1-5H3/t15-,16-,17-,18-,20-,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
Inhibition of [125I]- IOXY binding to human Opioid receptor delta1


J Med Chem 48: 4765-71 (2005)


Article DOI: 10.1021/jm048963m
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
Inhibition of [125I]- IOXY binding to human Opioid receptor delta1


J Med Chem 48: 4765-71 (2005)


Article DOI: 10.1021/jm048963m
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50159166
PNG
((3S,4aR,4bS,5R,6S,8R,8aR,10aR)-5,6-Diacetoxy-3-fur...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C25H32O9/c1-13(26)32-18-10-17(22(28)30-5)24(3)8-6-16-23(29)34-19(15-7-9-31-12-15)11-25(16,4)21(24)20(18)33-14(2)27/h7,9,12,16-21H,6,8,10-11H2,1-5H3/t16-,17-,18-,19-,20-,21-,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
Inhibition of [125I]- IOXY binding to human Opioid receptor mu1


J Med Chem 48: 4765-71 (2005)


Article DOI: 10.1021/jm048963m
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50170675
PNG
((3S,4aR,4bS,5R,6S,8R,8aR,10aS)-3-Furan-3-yl-5,6-di...)
Show SMILES COC(=O)[C@@H]1C[C@H](O)[C@H](O)[C@H]2[C@@]1(C)CC[C@@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C21H28O7/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/h5,7,10,12-17,22-23H,4,6,8-9H2,1-3H3/t12-,13+,14+,15+,16+,17+,20+,21+/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
Inhibition of [125I]- IOXY binding to human Opioid receptor mu1


J Med Chem 48: 4765-71 (2005)


Article DOI: 10.1021/jm048963m
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50170671
PNG
(CHEMBL360404 | Oxalic acid (3S,4aR,4bS,6S,8R,8aR,1...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(=O)C(=O)OC)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C24H28O10/c1-23-7-5-13-20(27)34-16(12-6-8-32-11-12)10-24(13,2)18(23)17(25)15(9-14(23)19(26)30-3)33-22(29)21(28)31-4/h6,8,11,13-16,18H,5,7,9-10H2,1-4H3/t13-,14-,15-,16-,18-,23-,24-/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
Inhibition of [125I]- IOXY binding to human Opioid receptor delta1


J Med Chem 48: 4765-71 (2005)


Article DOI: 10.1021/jm048963m
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50159166
PNG
((3S,4aR,4bS,5R,6S,8R,8aR,10aR)-5,6-Diacetoxy-3-fur...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C25H32O9/c1-13(26)32-18-10-17(22(28)30-5)24(3)8-6-16-23(29)34-19(15-7-9-31-12-15)11-25(16,4)21(24)20(18)33-14(2)27/h7,9,12,16-21H,6,8,10-11H2,1-5H3/t16-,17-,18-,19-,20-,21-,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
Inhibition of [125I]- IOXY binding to human Opioid receptor delta1


J Med Chem 48: 4765-71 (2005)


Article DOI: 10.1021/jm048963m
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+4n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of [125I]- IOXY binding to human Opioid receptor mu1


J Med Chem 48: 4765-71 (2005)


Article DOI: 10.1021/jm048963m
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50170668
PNG
(CHEMBL191014 | Nicotinic acid (3S,4aR,4bS,6S,8R,8a...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(=O)c2cccnc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C27H29NO8/c1-26-8-6-17-25(32)36-20(16-7-10-34-14-16)12-27(17,2)22(26)21(29)19(11-18(26)24(31)33-3)35-23(30)15-5-4-9-28-13-15/h4-5,7,9-10,13-14,17-20,22H,6,8,11-12H2,1-3H3/t17-,18-,19-,20-,22-,26-,27-/m0/s1
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n/an/an/an/a 2.10E+3n/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Stimulation of [35S]-GTP-gammaS, binding to Opioid receptor mu1 expressed in CHO cells; ND = Not determined


J Med Chem 48: 4765-71 (2005)


Article DOI: 10.1021/jm048963m
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50170669
PNG
((3S,4aR,4bS,6S,8R,8aR,10aR)-3-Furan-3-yl-4a,8a-dim...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(=O)Nc2ccccc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C28H31NO8/c1-27-11-9-18-25(32)36-21(16-10-12-35-15-16)14-28(18,2)23(27)22(30)20(13-19(27)24(31)34-3)37-26(33)29-17-7-5-4-6-8-17/h4-8,10,12,15,18-21,23H,9,11,13-14H2,1-3H3,(H,29,33)/t18-,19-,20-,21-,23-,27-,28-/m0/s1
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n/an/an/an/a 590n/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Stimulation of [35S]-GTP-gammaS, binding to Opioid receptor mu1 expressed in CHO cells; ND = Not determined


J Med Chem 48: 4765-71 (2005)


Article DOI: 10.1021/jm048963m
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50170668
PNG
(CHEMBL191014 | Nicotinic acid (3S,4aR,4bS,6S,8R,8a...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(=O)c2cccnc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C27H29NO8/c1-26-8-6-17-25(32)36-20(16-7-10-34-14-16)12-27(17,2)22(26)21(29)19(11-18(26)24(31)33-3)35-23(30)15-5-4-9-28-13-15/h4-5,7,9-10,13-14,17-20,22H,6,8,11-12H2,1-3H3/t17-,18-,19-,20-,22-,26-,27-/m0/s1
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n/an/an/an/a 5.74E+3n/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Stimulation of [35S]-GTP-gammaS, binding to Opioid receptor kappa1 expressed in CHO cells


J Med Chem 48: 4765-71 (2005)


Article DOI: 10.1021/jm048963m
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 40n/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Stimulation of [35S]-GTP-gammaS, binding to Opioid receptor kappa1 expressed in CHO cells


J Med Chem 48: 4765-71 (2005)


Article DOI: 10.1021/jm048963m
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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n/an/an/an/a 1.32E+3n/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Stimulation of [35S]-GTP-gammaS, binding to Opioid receptor kappa1 expressed in CHO cells


J Med Chem 48: 4765-71 (2005)


Article DOI: 10.1021/jm048963m
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50170669
PNG
((3S,4aR,4bS,6S,8R,8aR,10aR)-3-Furan-3-yl-4a,8a-dim...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(=O)Nc2ccccc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C28H31NO8/c1-27-11-9-18-25(32)36-21(16-10-12-35-15-16)14-28(18,2)23(27)22(30)20(13-19(27)24(31)34-3)37-26(33)29-17-7-5-4-6-8-17/h4-8,10,12,15,18-21,23H,9,11,13-14H2,1-3H3,(H,29,33)/t18-,19-,20-,21-,23-,27-,28-/m0/s1
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n/an/an/an/a 480n/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Stimulation of [35S]-GTP-gammaS, binding to Opioid receptor kappa1 expressed in CHO cells


J Med Chem 48: 4765-71 (2005)


Article DOI: 10.1021/jm048963m
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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n/an/an/an/a 500n/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Stimulation of [35S]-GTP-gammaS, binding to Opioid receptor mu1 expressed in CHO cells


J Med Chem 48: 4765-71 (2005)


Article DOI: 10.1021/jm048963m
More data for this
Ligand-Target Pair
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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n/an/an/an/a 140n/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Stimulation of [35S]-GTP-gammaS, binding to Opioid receptor kappa1 expressed in CHO cells


J Med Chem 48: 4765-71 (2005)


Article DOI: 10.1021/jm048963m
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50170673
PNG
((3S,4aR,4bS,6S,8R,8aR,10aR)-3-Furan-3-yl-6-isobuty...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(=O)C(C)C)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C25H32O8/c1-13(2)21(27)32-17-10-16(22(28)30-5)24(3)8-6-15-23(29)33-18(14-7-9-31-12-14)11-25(15,4)20(24)19(17)26/h7,9,12-13,15-18,20H,6,8,10-11H2,1-5H3/t15-,16-,17-,18-,20-,24-,25-/m0/s1
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n/an/an/an/a 360n/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Stimulation of [35S]-GTP-gammaS, binding to Opioid receptor kappa1 expressed in CHO cells


J Med Chem 48: 4765-71 (2005)


Article DOI: 10.1021/jm048963m
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50170669
PNG
((3S,4aR,4bS,6S,8R,8aR,10aR)-3-Furan-3-yl-4a,8a-dim...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(=O)Nc2ccccc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C28H31NO8/c1-27-11-9-18-25(32)36-21(16-10-12-35-15-16)14-28(18,2)23(27)22(30)20(13-19(27)24(31)34-3)37-26(33)29-17-7-5-4-6-8-17/h4-8,10,12,15,18-21,23H,9,11,13-14H2,1-3H3,(H,29,33)/t18-,19-,20-,21-,23-,27-,28-/m0/s1
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n/an/an/an/a 2.53E+3n/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Stimulation of [35S]-GTP gammaS binding to Opioid receptor delta 1 expressed in CHO cells; ND = Not determined


J Med Chem 48: 4765-71 (2005)


Article DOI: 10.1021/jm048963m
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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n/an/an/an/a 30n/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Stimulation of [35S]-GTP-gammaS, binding to Opioid receptor kappa1 expressed in CHO cells


J Med Chem 48: 4765-71 (2005)


Article DOI: 10.1021/jm048963m
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%