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Compile Data Set for Download or QSAR

Found 142 hits with Last Name = 'butelman' and Initial = 'er'   
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
BindingDB Entry DOI: 10.7270/Q2DN44KP
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
BindingDB Entry DOI: 10.7270/Q2DN44KP
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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7.40n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human recombinant kappa opioid receptor expressed in CHO cells after 2 hrs by liquid scintillation counting


Bioorg Med Chem 20: 3100-10 (2012)


Article DOI: 10.1016/j.bmc.2012.02.040
BindingDB Entry DOI: 10.7270/Q27H1KK0
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
BindingDB Entry DOI: 10.7270/Q2DN44KP
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
BindingDB Entry DOI: 10.7270/Q2DN44KP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50266337
PNG
(12-epi-Salvinorin A | CHEMBL458235)
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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17n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human recombinant kappa opioid receptor expressed in CHO cells after 2 hrs by liquid scintillation counting


Bioorg Med Chem 20: 3100-10 (2012)


Article DOI: 10.1016/j.bmc.2012.02.040
BindingDB Entry DOI: 10.7270/Q27H1KK0
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
BindingDB Entry DOI: 10.7270/Q2DN44KP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50381667
PNG
(CHEMBL2022018)
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=C/c1ccoc1 |r|
Show InChI InChI=1S/C25H30O8/c1-14(26)32-19-11-18(22(28)30-4)24(2)9-7-17-23(29)33-16(6-5-15-8-10-31-13-15)12-25(17,3)21(24)20(19)27/h5-6,8,10,13,16-19,21H,7,9,11-12H2,1-4H3/b6-5-/t16-,17+,18+,19+,21+,24+,25+/m1/s1
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30n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human recombinant kappa opioid receptor expressed in CHO cells after 2 hrs by liquid scintillation counting


Bioorg Med Chem 20: 3100-10 (2012)


Article DOI: 10.1016/j.bmc.2012.02.040
BindingDB Entry DOI: 10.7270/Q27H1KK0
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50381666
PNG
(CHEMBL2022307)
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)c1ccco1 |r|
Show InChI InChI=1S/C23H28O8/c1-12(24)30-16-10-14(20(26)28-4)22(2)8-7-13-21(27)31-17(15-6-5-9-29-15)11-23(13,3)19(22)18(16)25/h5-6,9,13-14,16-17,19H,7-8,10-11H2,1-4H3/t13-,14-,16-,17-,19-,22-,23-/m0/s1
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30n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human recombinant kappa opioid receptor expressed in CHO cells after 2 hrs by liquid scintillation counting


Bioorg Med Chem 20: 3100-10 (2012)


Article DOI: 10.1016/j.bmc.2012.02.040
BindingDB Entry DOI: 10.7270/Q27H1KK0
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50381662
PNG
(CHEMBL2022302)
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(=O)c1ccsc1 |r|
Show InChI InChI=1S/C24H28O8S/c1-12(25)31-16-9-15(21(28)30-4)23(2)7-5-14-22(29)32-17(18(26)13-6-8-33-11-13)10-24(14,3)20(23)19(16)27/h6,8,11,14-17,20H,5,7,9-10H2,1-4H3/t14-,15-,16-,17-,20-,23-,24-/m0/s1
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31n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human recombinant kappa opioid receptor expressed in CHO cells after 2 hrs by liquid scintillation counting


Bioorg Med Chem 20: 3100-10 (2012)


Article DOI: 10.1016/j.bmc.2012.02.040
BindingDB Entry DOI: 10.7270/Q27H1KK0
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50266390
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)C(=O)c1cccs1 |r|
Show InChI InChI=1S/C24H28O8S/c1-12(25)31-15-10-14(21(28)30-4)23(2)8-7-13-22(29)32-16(18(26)17-6-5-9-33-17)11-24(13,3)20(23)19(15)27/h5-6,9,13-16,20H,7-8,10-11H2,1-4H3/t13-,14-,15-,16-,20-,23-,24-/m0/s1
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36n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human recombinant kappa opioid receptor expressed in CHO cells after 2 hrs by liquid scintillation counting


Bioorg Med Chem 20: 3100-10 (2012)


Article DOI: 10.1016/j.bmc.2012.02.040
BindingDB Entry DOI: 10.7270/Q27H1KK0
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
BindingDB Entry DOI: 10.7270/Q2DN44KP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50381656
PNG
(CHEMBL2022296)
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(=O)c1cccc(c1)C(N)=O |r|
Show InChI InChI=1S/C27H31NO9/c1-13(29)36-18-11-17(24(33)35-4)26(2)9-8-16-25(34)37-19(12-27(16,3)22(26)21(18)31)20(30)14-6-5-7-15(10-14)23(28)32/h5-7,10,16-19,22H,8-9,11-12H2,1-4H3,(H2,28,32)/t16-,17-,18-,19-,22-,26-,27-/m0/s1
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40n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human recombinant kappa opioid receptor expressed in CHO cells after 2 hrs by liquid scintillation counting


Bioorg Med Chem 20: 3100-10 (2012)


Article DOI: 10.1016/j.bmc.2012.02.040
BindingDB Entry DOI: 10.7270/Q27H1KK0
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
BindingDB Entry DOI: 10.7270/Q2DN44KP
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
BindingDB Entry DOI: 10.7270/Q2DN44KP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50381668
PNG
(CHEMBL2022019)
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(=O)c1ccccc1 |r|
Show InChI InChI=1S/C26H30O8/c1-14(27)33-18-12-17(23(30)32-4)25(2)11-10-16-24(31)34-19(13-26(16,3)22(25)21(18)29)20(28)15-8-6-5-7-9-15/h5-9,16-19,22H,10-13H2,1-4H3/t16-,17-,18-,19-,22-,25-,26-/m0/s1
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70n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human recombinant kappa opioid receptor expressed in CHO cells after 2 hrs by liquid scintillation counting


Bioorg Med Chem 20: 3100-10 (2012)


Article DOI: 10.1016/j.bmc.2012.02.040
BindingDB Entry DOI: 10.7270/Q27H1KK0
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
BindingDB Entry DOI: 10.7270/Q2DN44KP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50381660
PNG
(CHEMBL2022300)
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(=O)c1ccco1 |r|
Show InChI InChI=1S/C24H28O9/c1-12(25)32-16-10-14(21(28)30-4)23(2)8-7-13-22(29)33-17(18(26)15-6-5-9-31-15)11-24(13,3)20(23)19(16)27/h5-6,9,13-14,16-17,20H,7-8,10-11H2,1-4H3/t13-,14-,16-,17-,20-,23-,24-/m0/s1
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80n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human recombinant kappa opioid receptor expressed in CHO cells after 2 hrs by liquid scintillation counting


Bioorg Med Chem 20: 3100-10 (2012)


Article DOI: 10.1016/j.bmc.2012.02.040
BindingDB Entry DOI: 10.7270/Q27H1KK0
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
BindingDB Entry DOI: 10.7270/Q2DN44KP
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
BindingDB Entry DOI: 10.7270/Q2DN44KP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50381673
PNG
(CHEMBL2022294)
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(=O)c1cccc(O)c1 |r|
Show InChI InChI=1S/C26H30O9/c1-13(27)34-18-11-17(23(31)33-4)25(2)9-8-16-24(32)35-19(12-26(16,3)22(25)21(18)30)20(29)14-6-5-7-15(28)10-14/h5-7,10,16-19,22,28H,8-9,11-12H2,1-4H3/t16-,17-,18-,19-,22-,25-,26-/m0/s1
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110n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human recombinant kappa opioid receptor expressed in CHO cells after 2 hrs by liquid scintillation counting


Bioorg Med Chem 20: 3100-10 (2012)


Article DOI: 10.1016/j.bmc.2012.02.040
BindingDB Entry DOI: 10.7270/Q27H1KK0
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
BindingDB Entry DOI: 10.7270/Q2DN44KP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50381661
PNG
(CHEMBL2022301)
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(=O)c1ccoc1 |r|
Show InChI InChI=1S/C24H28O9/c1-12(25)32-16-9-15(21(28)30-4)23(2)7-5-14-22(29)33-17(18(26)13-6-8-31-11-13)10-24(14,3)20(23)19(16)27/h6,8,11,14-17,20H,5,7,9-10H2,1-4H3/t14-,15-,16-,17-,20-,23-,24-/m0/s1
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150n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human recombinant kappa opioid receptor expressed in CHO cells after 2 hrs by liquid scintillation counting


Bioorg Med Chem 20: 3100-10 (2012)


Article DOI: 10.1016/j.bmc.2012.02.040
BindingDB Entry DOI: 10.7270/Q27H1KK0
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50381657
PNG
(CHEMBL2022297)
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(=O)c1cccc(c1)C#N |r|
Show InChI InChI=1S/C27H29NO8/c1-14(29)35-19-11-18(24(32)34-4)26(2)9-8-17-25(33)36-20(12-27(17,3)23(26)22(19)31)21(30)16-7-5-6-15(10-16)13-28/h5-7,10,17-20,23H,8-9,11-12H2,1-4H3/t17-,18-,19-,20-,23-,26-,27-/m0/s1
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220n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human recombinant kappa opioid receptor expressed in CHO cells after 2 hrs by liquid scintillation counting


Bioorg Med Chem 20: 3100-10 (2012)


Article DOI: 10.1016/j.bmc.2012.02.040
BindingDB Entry DOI: 10.7270/Q27H1KK0
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
BindingDB Entry DOI: 10.7270/Q2DN44KP
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
BindingDB Entry DOI: 10.7270/Q2DN44KP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50381670
PNG
(CHEMBL2022021)
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(=O)c1cccc(OC)c1 |r|
Show InChI InChI=1S/C27H32O9/c1-14(28)35-19-12-18(24(31)34-5)26(2)10-9-17-25(32)36-20(13-27(17,3)23(26)22(19)30)21(29)15-7-6-8-16(11-15)33-4/h6-8,11,17-20,23H,9-10,12-13H2,1-5H3/t17-,18-,19-,20-,23-,26-,27-/m0/s1
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290n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human recombinant kappa opioid receptor expressed in CHO cells after 2 hrs by liquid scintillation counting


Bioorg Med Chem 20: 3100-10 (2012)


Article DOI: 10.1016/j.bmc.2012.02.040
BindingDB Entry DOI: 10.7270/Q27H1KK0
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50381665
PNG
(CHEMBL2022306)
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(=O)C=CC |r,w:29.32|
Show InChI InChI=1S/C23H30O8/c1-6-7-15(25)17-11-23(4)13(21(28)31-17)8-9-22(3)14(20(27)29-5)10-16(30-12(2)24)18(26)19(22)23/h6-7,13-14,16-17,19H,8-11H2,1-5H3/t13-,14-,16-,17-,19-,22-,23-/m0/s1
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320n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human recombinant kappa opioid receptor expressed in CHO cells after 2 hrs by liquid scintillation counting


Bioorg Med Chem 20: 3100-10 (2012)


Article DOI: 10.1016/j.bmc.2012.02.040
BindingDB Entry DOI: 10.7270/Q27H1KK0
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
BindingDB Entry DOI: 10.7270/Q2DN44KP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50381672
PNG
(CHEMBL2022293)
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(=O)c1ccccc1O |r|
Show InChI InChI=1S/C26H30O9/c1-13(27)34-18-11-16(23(31)33-4)25(2)10-9-15-24(32)35-19(12-26(15,3)22(25)21(18)30)20(29)14-7-5-6-8-17(14)28/h5-8,15-16,18-19,22,28H,9-12H2,1-4H3/t15-,16-,18-,19-,22-,25-,26-/m0/s1
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500n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human recombinant kappa opioid receptor expressed in CHO cells after 2 hrs by liquid scintillation counting


Bioorg Med Chem 20: 3100-10 (2012)


Article DOI: 10.1016/j.bmc.2012.02.040
BindingDB Entry DOI: 10.7270/Q27H1KK0
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
BindingDB Entry DOI: 10.7270/Q2DN44KP
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
BindingDB Entry DOI: 10.7270/Q2DN44KP
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50381659
PNG
(CHEMBL2022299)
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(=O)c1cccc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C27H29F3O8/c1-13(31)37-18-11-17(23(34)36-4)25(2)9-8-16-24(35)38-19(12-26(16,3)22(25)21(18)33)20(32)14-6-5-7-15(10-14)27(28,29)30/h5-7,10,16-19,22H,8-9,11-12H2,1-4H3/t16-,17-,18-,19-,22-,25-,26-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]DADLE from human recombinant delta opioid receptor expressed in CHO cells after 2 hrs by liquid scintillation counting


Bioorg Med Chem 20: 3100-10 (2012)


Article DOI: 10.1016/j.bmc.2012.02.040
BindingDB Entry DOI: 10.7270/Q27H1KK0
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50381673
PNG
(CHEMBL2022294)
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(=O)c1cccc(O)c1 |r|
Show InChI InChI=1S/C26H30O9/c1-13(27)34-18-11-17(23(31)33-4)25(2)9-8-16-24(32)35-19(12-26(16,3)22(25)21(18)30)20(29)14-6-5-7-15(28)10-14/h5-7,10,16-19,22,28H,8-9,11-12H2,1-4H3/t16-,17-,18-,19-,22-,25-,26-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human recombinant mu opioid receptor expressed in CHO cells after 2 hrs by liquid scintillation counting


Bioorg Med Chem 20: 3100-10 (2012)


Article DOI: 10.1016/j.bmc.2012.02.040
BindingDB Entry DOI: 10.7270/Q27H1KK0
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50381666
PNG
(CHEMBL2022307)
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)c1ccco1 |r|
Show InChI InChI=1S/C23H28O8/c1-12(24)30-16-10-14(20(26)28-4)22(2)8-7-13-21(27)31-17(15-6-5-9-29-15)11-23(13,3)19(22)18(16)25/h5-6,9,13-14,16-17,19H,7-8,10-11H2,1-4H3/t13-,14-,16-,17-,19-,22-,23-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human recombinant mu opioid receptor expressed in CHO cells after 2 hrs by liquid scintillation counting


Bioorg Med Chem 20: 3100-10 (2012)


Article DOI: 10.1016/j.bmc.2012.02.040
BindingDB Entry DOI: 10.7270/Q27H1KK0
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50381657
PNG
(CHEMBL2022297)
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(=O)c1cccc(c1)C#N |r|
Show InChI InChI=1S/C27H29NO8/c1-14(29)35-19-11-18(24(32)34-4)26(2)9-8-17-25(33)36-20(12-27(17,3)23(26)22(19)31)21(30)16-7-5-6-15(10-16)13-28/h5-7,10,17-20,23H,8-9,11-12H2,1-4H3/t17-,18-,19-,20-,23-,26-,27-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human recombinant mu opioid receptor expressed in CHO cells after 2 hrs by liquid scintillation counting


Bioorg Med Chem 20: 3100-10 (2012)


Article DOI: 10.1016/j.bmc.2012.02.040
BindingDB Entry DOI: 10.7270/Q27H1KK0
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
BindingDB Entry DOI: 10.7270/Q2DN44KP
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50381658
PNG
(CHEMBL2022298)
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(=O)c1cccc(OC(F)(F)F)c1 |r|
Show InChI InChI=1S/C27H29F3O9/c1-13(31)37-18-11-17(23(34)36-4)25(2)9-8-16-24(35)38-19(12-26(16,3)22(25)21(18)33)20(32)14-6-5-7-15(10-14)39-27(28,29)30/h5-7,10,16-19,22H,8-9,11-12H2,1-4H3/t16-,17-,18-,19-,22-,25-,26-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]DADLE from human recombinant delta opioid receptor expressed in CHO cells after 2 hrs by liquid scintillation counting


Bioorg Med Chem 20: 3100-10 (2012)


Article DOI: 10.1016/j.bmc.2012.02.040
BindingDB Entry DOI: 10.7270/Q27H1KK0
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50381664
PNG
(CHEMBL2022305)
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(=O)c1csc2ccccc12 |r|
Show InChI InChI=1S/C28H30O8S/c1-14(29)35-19-11-18(25(32)34-4)27(2)10-9-17-26(33)36-20(12-28(17,3)24(27)23(19)31)22(30)16-13-37-21-8-6-5-7-15(16)21/h5-8,13,17-20,24H,9-12H2,1-4H3/t17-,18-,19-,20-,24-,27-,28-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]DADLE from human recombinant delta opioid receptor expressed in CHO cells after 2 hrs by liquid scintillation counting


Bioorg Med Chem 20: 3100-10 (2012)


Article DOI: 10.1016/j.bmc.2012.02.040
BindingDB Entry DOI: 10.7270/Q27H1KK0
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50381664
PNG
(CHEMBL2022305)
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(=O)c1csc2ccccc12 |r|
Show InChI InChI=1S/C28H30O8S/c1-14(29)35-19-11-18(25(32)34-4)27(2)10-9-17-26(33)36-20(12-28(17,3)24(27)23(19)31)22(30)16-13-37-21-8-6-5-7-15(16)21/h5-8,13,17-20,24H,9-12H2,1-4H3/t17-,18-,19-,20-,24-,27-,28-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human recombinant mu opioid receptor expressed in CHO cells after 2 hrs by liquid scintillation counting


Bioorg Med Chem 20: 3100-10 (2012)


Article DOI: 10.1016/j.bmc.2012.02.040
BindingDB Entry DOI: 10.7270/Q27H1KK0
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50381669
PNG
(CHEMBL2022020)
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(=O)c1ccccc1OC |r|
Show InChI InChI=1S/C27H32O9/c1-14(28)35-19-12-17(24(31)34-5)26(2)11-10-16-25(32)36-20(13-27(16,3)23(26)22(19)30)21(29)15-8-6-7-9-18(15)33-4/h6-9,16-17,19-20,23H,10-13H2,1-5H3/t16-,17-,19-,20-,23-,26-,27-/m0/s1
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1.07E+3n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human recombinant kappa opioid receptor expressed in CHO cells after 2 hrs by liquid scintillation counting


Bioorg Med Chem 20: 3100-10 (2012)


Article DOI: 10.1016/j.bmc.2012.02.040
BindingDB Entry DOI: 10.7270/Q27H1KK0
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50381675
PNG
(CHEMBL2022017)
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=C\c1ccoc1 |r|
Show InChI InChI=1S/C25H30O8/c1-14(26)32-19-11-18(22(28)30-4)24(2)9-7-17-23(29)33-16(6-5-15-8-10-31-13-15)12-25(17,3)21(24)20(19)27/h5-6,8,10,13,16-19,21H,7,9,11-12H2,1-4H3/b6-5+/t16-,17+,18+,19+,21+,24+,25+/m1/s1
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1.12E+3n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human recombinant kappa opioid receptor expressed in CHO cells after 2 hrs by liquid scintillation counting


Bioorg Med Chem 20: 3100-10 (2012)


Article DOI: 10.1016/j.bmc.2012.02.040
BindingDB Entry DOI: 10.7270/Q27H1KK0
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
BindingDB Entry DOI: 10.7270/Q2DN44KP
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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1.37E+3n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human recombinant mu opioid receptor expressed in CHO cells after 2 hrs by liquid scintillation counting


Bioorg Med Chem 20: 3100-10 (2012)


Article DOI: 10.1016/j.bmc.2012.02.040
BindingDB Entry DOI: 10.7270/Q27H1KK0
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50381668
PNG
(CHEMBL2022019)
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(=O)c1ccccc1 |r|
Show InChI InChI=1S/C26H30O8/c1-14(27)33-18-12-17(23(30)32-4)25(2)11-10-16-24(31)34-19(13-26(16,3)22(25)21(18)29)20(28)15-8-6-5-7-9-15/h5-9,16-19,22H,10-13H2,1-4H3/t16-,17-,18-,19-,22-,25-,26-/m0/s1
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1.49E+3n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human recombinant mu opioid receptor expressed in CHO cells after 2 hrs by liquid scintillation counting


Bioorg Med Chem 20: 3100-10 (2012)


Article DOI: 10.1016/j.bmc.2012.02.040
BindingDB Entry DOI: 10.7270/Q27H1KK0
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
BindingDB Entry DOI: 10.7270/Q2DN44KP
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50381665
PNG
(CHEMBL2022306)
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(=O)C=CC |r,w:29.32|
Show InChI InChI=1S/C23H30O8/c1-6-7-15(25)17-11-23(4)13(21(28)31-17)8-9-22(3)14(20(27)29-5)10-16(30-12(2)24)18(26)19(22)23/h6-7,13-14,16-17,19H,8-11H2,1-5H3/t13-,14-,16-,17-,19-,22-,23-/m0/s1
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>1.70E+3n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human recombinant mu opioid receptor expressed in CHO cells after 2 hrs by liquid scintillation counting


Bioorg Med Chem 20: 3100-10 (2012)


Article DOI: 10.1016/j.bmc.2012.02.040
BindingDB Entry DOI: 10.7270/Q27H1KK0
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
BindingDB Entry DOI: 10.7270/Q2DN44KP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50381659
PNG
(CHEMBL2022299)
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(=O)c1cccc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C27H29F3O8/c1-13(31)37-18-11-17(23(34)36-4)25(2)9-8-16-24(35)38-19(12-26(16,3)22(25)21(18)33)20(32)14-6-5-7-15(10-14)27(28,29)30/h5-7,10,16-19,22H,8-9,11-12H2,1-4H3/t16-,17-,18-,19-,22-,25-,26-/m0/s1
PDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
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2.26E+3n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human recombinant kappa opioid receptor expressed in CHO cells after 2 hrs by liquid scintillation counting


Bioorg Med Chem 20: 3100-10 (2012)


Article DOI: 10.1016/j.bmc.2012.02.040
BindingDB Entry DOI: 10.7270/Q27H1KK0
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50381662
PNG
(CHEMBL2022302)
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(=O)c1ccsc1 |r|
Show InChI InChI=1S/C24H28O8S/c1-12(25)31-16-9-15(21(28)30-4)23(2)7-5-14-22(29)32-17(18(26)13-6-8-33-11-13)10-24(14,3)20(23)19(16)27/h6,8,11,14-17,20H,5,7,9-10H2,1-4H3/t14-,15-,16-,17-,20-,23-,24-/m0/s1
PDB

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UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.53E+3n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human recombinant mu opioid receptor expressed in CHO cells after 2 hrs by liquid scintillation counting


Bioorg Med Chem 20: 3100-10 (2012)


Article DOI: 10.1016/j.bmc.2012.02.040
BindingDB Entry DOI: 10.7270/Q27H1KK0
More data for this
Ligand-Target Pair
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