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PubMed code 21684752

Compile data set for download or QSAR
Found 25 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
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50000092
PNG
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1|
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
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2.60n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse and the National Institute on Alcohol Abuse and Alcoholism

Curated by ChEMBL


Assay Description
Displacement of [125I]IOXY from human mu opioid receptor expressed in CHO cells coexpressing human recombinant MOR after 2 hrs by liquid scintillatio...


Bioorg Med Chem 19: 4330-7 (2011)


Article DOI: 10.1016/j.bmc.2011.05.035
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50273935
PNG
((4R*,6aS*,11bR*)-2,3,4,5,6,6a-Hexahydro-3-phenethy...)
Show SMILES Oc1cccc2c1O[C@@H]1CC[C@H]3C[C@@]21CCN3CCc1ccccc1 |r|
Show InChI InChI=1S/C22H25NO2/c24-19-8-4-7-18-21(19)25-20-10-9-17-15-22(18,20)12-14-23(17)13-11-16-5-2-1-3-6-16/h1-8,17,20,24H,9-15H2/t17?,20-,22+/m1/s1
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42n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse and the National Institute on Alcohol Abuse and Alcoholism

Curated by ChEMBL


Assay Description
Displacement of [125I]IOXY from human kappa opioid receptor expressed in CHO cells coexpressing human recombinant KOP after 2 hrs by liquid scintilla...


Bioorg Med Chem 19: 4330-7 (2011)


Article DOI: 10.1016/j.bmc.2011.05.035
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50273935
PNG
((4R*,6aS*,11bR*)-2,3,4,5,6,6a-Hexahydro-3-phenethy...)
Show SMILES Oc1cccc2c1O[C@@H]1CC[C@H]3C[C@@]21CCN3CCc1ccccc1 |r|
Show InChI InChI=1S/C22H25NO2/c24-19-8-4-7-18-21(19)25-20-10-9-17-15-22(18,20)12-14-23(17)13-11-16-5-2-1-3-6-16/h1-8,17,20,24H,9-15H2/t17?,20-,22+/m1/s1
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49n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse and the National Institute on Alcohol Abuse and Alcoholism

Curated by ChEMBL


Assay Description
Displacement of [125I]IOXY from human mu opioid receptor expressed in CHO cells coexpressing human recombinant MOR after 2 hrs by liquid scintillatio...


Bioorg Med Chem 19: 4330-7 (2011)


Article DOI: 10.1016/j.bmc.2011.05.035
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50348870
PNG
(CHEMBL1808302)
Show SMILES Oc1ccc2O[C@@H]3CC[C@@H]4C[C@]3(CCN4CCc3ccccc3)c2c1 |r|
Show InChI InChI=1S/C22H25NO2/c24-18-7-8-20-19(14-18)22-11-13-23(12-10-16-4-2-1-3-5-16)17(15-22)6-9-21(22)25-20/h1-5,7-8,14,17,21,24H,6,9-13,15H2/t17-,21-,22-/m1/s1
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98n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse and the National Institute on Alcohol Abuse and Alcoholism

Curated by ChEMBL


Assay Description
Displacement of [125I]IOXY from human kappa opioid receptor expressed in CHO cells coexpressing human recombinant KOP after 2 hrs by liquid scintilla...


Bioorg Med Chem 19: 4330-7 (2011)


Article DOI: 10.1016/j.bmc.2011.05.035
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50273933
PNG
((4R*,6aS*,11bR*)-2,3,4,5,6,6a-Hexahydro-3-phenethy...)
Show SMILES Oc1ccc2O[C@@H]3CC[C@H]4C[C@@]3(CCN4CCc3ccccc3)c2c1 |r|
Show InChI InChI=1S/C22H25NO2/c24-18-7-8-20-19(14-18)22-11-13-23(12-10-16-4-2-1-3-5-16)17(15-22)6-9-21(22)25-20/h1-5,7-8,14,17,21,24H,6,9-13,15H2/t17?,21-,22+/m1/s1
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102n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse and the National Institute on Alcohol Abuse and Alcoholism

Curated by ChEMBL


Assay Description
Displacement of [125I]IOXY from human kappa opioid receptor expressed in CHO cells coexpressing human recombinant KOP after 2 hrs by liquid scintilla...


Bioorg Med Chem 19: 4330-7 (2011)


Article DOI: 10.1016/j.bmc.2011.05.035
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50348869
PNG
(CHEMBL1808300)
Show SMILES Oc1cccc2c1O[C@@H]1CC[C@@H]3C[C@]21CCN3CCc1ccccc1 |r|
Show InChI InChI=1S/C22H25NO2/c24-19-8-4-7-18-21(19)25-20-10-9-17-15-22(18,20)12-14-23(17)13-11-16-5-2-1-3-6-16/h1-8,17,20,24H,9-15H2/t17-,20-,22-/m1/s1
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167n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse and the National Institute on Alcohol Abuse and Alcoholism

Curated by ChEMBL


Assay Description
Displacement of [125I]IOXY from human mu opioid receptor expressed in CHO cells coexpressing human recombinant MOR after 2 hrs by liquid scintillatio...


Bioorg Med Chem 19: 4330-7 (2011)


Article DOI: 10.1016/j.bmc.2011.05.035
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50348869
PNG
(CHEMBL1808300)
Show SMILES Oc1cccc2c1O[C@@H]1CC[C@@H]3C[C@]21CCN3CCc1ccccc1 |r|
Show InChI InChI=1S/C22H25NO2/c24-19-8-4-7-18-21(19)25-20-10-9-17-15-22(18,20)12-14-23(17)13-11-16-5-2-1-3-6-16/h1-8,17,20,24H,9-15H2/t17-,20-,22-/m1/s1
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171n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse and the National Institute on Alcohol Abuse and Alcoholism

Curated by ChEMBL


Assay Description
Displacement of [125I]IOXY from human kappa opioid receptor expressed in CHO cells coexpressing human recombinant KOP after 2 hrs by liquid scintilla...


Bioorg Med Chem 19: 4330-7 (2011)


Article DOI: 10.1016/j.bmc.2011.05.035
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50348871
PNG
(CHEMBL1808303)
Show SMILES Oc1ccc2O[C@H]3CC[C@@H]4C[C@]3(CCN4CCc3ccccc3)c2c1 |r|
Show InChI InChI=1S/C22H25NO2/c24-18-7-8-20-19(14-18)22-11-13-23(12-10-16-4-2-1-3-5-16)17(15-22)6-9-21(22)25-20/h1-5,7-8,14,17,21,24H,6,9-13,15H2/t17-,21+,22-/m1/s1
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199n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse and the National Institute on Alcohol Abuse and Alcoholism

Curated by ChEMBL


Assay Description
Displacement of [125I]IOXY from human kappa opioid receptor expressed in CHO cells coexpressing human recombinant KOP after 2 hrs by liquid scintilla...


Bioorg Med Chem 19: 4330-7 (2011)


Article DOI: 10.1016/j.bmc.2011.05.035
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50348871
PNG
(CHEMBL1808303)
Show SMILES Oc1ccc2O[C@H]3CC[C@@H]4C[C@]3(CCN4CCc3ccccc3)c2c1 |r|
Show InChI InChI=1S/C22H25NO2/c24-18-7-8-20-19(14-18)22-11-13-23(12-10-16-4-2-1-3-5-16)17(15-22)6-9-21(22)25-20/h1-5,7-8,14,17,21,24H,6,9-13,15H2/t17-,21+,22-/m1/s1
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250n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse and the National Institute on Alcohol Abuse and Alcoholism

Curated by ChEMBL


Assay Description
Displacement of [125I]IOXY from human mu opioid receptor expressed in CHO cells coexpressing human recombinant MOR after 2 hrs by liquid scintillatio...


Bioorg Med Chem 19: 4330-7 (2011)


Article DOI: 10.1016/j.bmc.2011.05.035
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50273933
PNG
((4R*,6aS*,11bR*)-2,3,4,5,6,6a-Hexahydro-3-phenethy...)
Show SMILES Oc1ccc2O[C@@H]3CC[C@H]4C[C@@]3(CCN4CCc3ccccc3)c2c1 |r|
Show InChI InChI=1S/C22H25NO2/c24-18-7-8-20-19(14-18)22-11-13-23(12-10-16-4-2-1-3-5-16)17(15-22)6-9-21(22)25-20/h1-5,7-8,14,17,21,24H,6,9-13,15H2/t17?,21-,22+/m1/s1
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352n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse and the National Institute on Alcohol Abuse and Alcoholism

Curated by ChEMBL


Assay Description
Displacement of [125I]IOXY from human mu opioid receptor expressed in CHO cells coexpressing human recombinant MOR after 2 hrs by liquid scintillatio...


Bioorg Med Chem 19: 4330-7 (2011)


Article DOI: 10.1016/j.bmc.2011.05.035
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50348872
PNG
(CHEMBL1808304)
Show SMILES Oc1cccc2c1O[C@H]1CC[C@@H]3C[C@]21CCN3CCc1ccccc1 |r|
Show InChI InChI=1S/C22H25NO2/c24-19-8-4-7-18-21(19)25-20-10-9-17-15-22(18,20)12-14-23(17)13-11-16-5-2-1-3-6-16/h1-8,17,20,24H,9-15H2/t17-,20+,22-/m1/s1
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367n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse and the National Institute on Alcohol Abuse and Alcoholism

Curated by ChEMBL


Assay Description
Displacement of [125I]IOXY from human kappa opioid receptor expressed in CHO cells coexpressing human recombinant KOP after 2 hrs by liquid scintilla...


Bioorg Med Chem 19: 4330-7 (2011)


Article DOI: 10.1016/j.bmc.2011.05.035
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50348872
PNG
(CHEMBL1808304)
Show SMILES Oc1cccc2c1O[C@H]1CC[C@@H]3C[C@]21CCN3CCc1ccccc1 |r|
Show InChI InChI=1S/C22H25NO2/c24-19-8-4-7-18-21(19)25-20-10-9-17-15-22(18,20)12-14-23(17)13-11-16-5-2-1-3-6-16/h1-8,17,20,24H,9-15H2/t17-,20+,22-/m1/s1
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384n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse and the National Institute on Alcohol Abuse and Alcoholism

Curated by ChEMBL


Assay Description
Displacement of [125I]IOXY from human mu opioid receptor expressed in CHO cells coexpressing human recombinant MOR after 2 hrs by liquid scintillatio...


Bioorg Med Chem 19: 4330-7 (2011)


Article DOI: 10.1016/j.bmc.2011.05.035
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50348870
PNG
(CHEMBL1808302)
Show SMILES Oc1ccc2O[C@@H]3CC[C@@H]4C[C@]3(CCN4CCc3ccccc3)c2c1 |r|
Show InChI InChI=1S/C22H25NO2/c24-18-7-8-20-19(14-18)22-11-13-23(12-10-16-4-2-1-3-5-16)17(15-22)6-9-21(22)25-20/h1-5,7-8,14,17,21,24H,6,9-13,15H2/t17-,21-,22-/m1/s1
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486n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse and the National Institute on Alcohol Abuse and Alcoholism

Curated by ChEMBL


Assay Description
Displacement of [125I]IOXY from human mu opioid receptor expressed in CHO cells coexpressing human recombinant MOR after 2 hrs by liquid scintillatio...


Bioorg Med Chem 19: 4330-7 (2011)


Article DOI: 10.1016/j.bmc.2011.05.035
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50348868
PNG
(CHEMBL1808301)
Show SMILES CN1CC[C@]23C[C@H]1CC[C@H]2Oc1ccc(O)cc31 |r|
Show InChI InChI=1S/C15H19NO2/c1-16-7-6-15-9-10(16)2-5-14(15)18-13-4-3-11(17)8-12(13)15/h3-4,8,10,14,17H,2,5-7,9H2,1H3/t10-,14-,15-/m1/s1
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>2.80E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse and the National Institute on Alcohol Abuse and Alcoholism

Curated by ChEMBL


Assay Description
Displacement of [125I]IOXY from human mu opioid receptor expressed in CHO cells coexpressing human recombinant MOR after 2 hrs by liquid scintillatio...


Bioorg Med Chem 19: 4330-7 (2011)


Article DOI: 10.1016/j.bmc.2011.05.035
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50348867
PNG
(CHEMBL1808299)
Show SMILES CN1CC[C@]23C[C@H]1CC[C@H]2Oc1c3cccc1O |r|
Show InChI InChI=1S/C15H19NO2/c1-16-8-7-15-9-10(16)5-6-13(15)18-14-11(15)3-2-4-12(14)17/h2-4,10,13,17H,5-9H2,1H3/t10-,13-,15-/m1/s1
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>2.80E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse and the National Institute on Alcohol Abuse and Alcoholism

Curated by ChEMBL


Assay Description
Displacement of [125I]IOXY from human mu opioid receptor expressed in CHO cells coexpressing human recombinant MOR after 2 hrs by liquid scintillatio...


Bioorg Med Chem 19: 4330-7 (2011)


Article DOI: 10.1016/j.bmc.2011.05.035
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50348870
PNG
(CHEMBL1808302)
Show SMILES Oc1ccc2O[C@@H]3CC[C@@H]4C[C@]3(CCN4CCc3ccccc3)c2c1 |r|
Show InChI InChI=1S/C22H25NO2/c24-18-7-8-20-19(14-18)22-11-13-23(12-10-16-4-2-1-3-5-16)17(15-22)6-9-21(22)25-20/h1-5,7-8,14,17,21,24H,6,9-13,15H2/t17-,21-,22-/m1/s1
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>4.90E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse and the National Institute on Alcohol Abuse and Alcoholism

Curated by ChEMBL


Assay Description
Displacement of [125I]IOXY from human delta opioid receptor expressed in CHO cells coexpressing human recombinant DOR after 2 hrs by liquid scintilla...


Bioorg Med Chem 19: 4330-7 (2011)


Article DOI: 10.1016/j.bmc.2011.05.035
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50348867
PNG
(CHEMBL1808299)
Show SMILES CN1CC[C@]23C[C@H]1CC[C@H]2Oc1c3cccc1O |r|
Show InChI InChI=1S/C15H19NO2/c1-16-8-7-15-9-10(16)5-6-13(15)18-14-11(15)3-2-4-12(14)17/h2-4,10,13,17H,5-9H2,1H3/t10-,13-,15-/m1/s1
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>4.90E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse and the National Institute on Alcohol Abuse and Alcoholism

Curated by ChEMBL


Assay Description
Displacement of [125I]IOXY from human delta opioid receptor expressed in CHO cells coexpressing human recombinant DOR after 2 hrs by liquid scintilla...


Bioorg Med Chem 19: 4330-7 (2011)


Article DOI: 10.1016/j.bmc.2011.05.035
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50348869
PNG
(CHEMBL1808300)
Show SMILES Oc1cccc2c1O[C@@H]1CC[C@@H]3C[C@]21CCN3CCc1ccccc1 |r|
Show InChI InChI=1S/C22H25NO2/c24-19-8-4-7-18-21(19)25-20-10-9-17-15-22(18,20)12-14-23(17)13-11-16-5-2-1-3-6-16/h1-8,17,20,24H,9-15H2/t17-,20-,22-/m1/s1
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>4.90E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse and the National Institute on Alcohol Abuse and Alcoholism

Curated by ChEMBL


Assay Description
Displacement of [125I]IOXY from human delta opioid receptor expressed in CHO cells coexpressing human recombinant DOR after 2 hrs by liquid scintilla...


Bioorg Med Chem 19: 4330-7 (2011)


Article DOI: 10.1016/j.bmc.2011.05.035
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50348868
PNG
(CHEMBL1808301)
Show SMILES CN1CC[C@]23C[C@H]1CC[C@H]2Oc1ccc(O)cc31 |r|
Show InChI InChI=1S/C15H19NO2/c1-16-7-6-15-9-10(16)2-5-14(15)18-13-4-3-11(17)8-12(13)15/h3-4,8,10,14,17H,2,5-7,9H2,1H3/t10-,14-,15-/m1/s1
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>4.90E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse and the National Institute on Alcohol Abuse and Alcoholism

Curated by ChEMBL


Assay Description
Displacement of [125I]IOXY from human delta opioid receptor expressed in CHO cells coexpressing human recombinant DOR after 2 hrs by liquid scintilla...


Bioorg Med Chem 19: 4330-7 (2011)


Article DOI: 10.1016/j.bmc.2011.05.035
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50348871
PNG
(CHEMBL1808303)
Show SMILES Oc1ccc2O[C@H]3CC[C@@H]4C[C@]3(CCN4CCc3ccccc3)c2c1 |r|
Show InChI InChI=1S/C22H25NO2/c24-18-7-8-20-19(14-18)22-11-13-23(12-10-16-4-2-1-3-5-16)17(15-22)6-9-21(22)25-20/h1-5,7-8,14,17,21,24H,6,9-13,15H2/t17-,21+,22-/m1/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse and the National Institute on Alcohol Abuse and Alcoholism

Curated by ChEMBL


Assay Description
Displacement of [125I]IOXY from human delta opioid receptor expressed in CHO cells coexpressing human recombinant DOR after 2 hrs by liquid scintilla...


Bioorg Med Chem 19: 4330-7 (2011)


Article DOI: 10.1016/j.bmc.2011.05.035
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50273935
PNG
((4R*,6aS*,11bR*)-2,3,4,5,6,6a-Hexahydro-3-phenethy...)
Show SMILES Oc1cccc2c1O[C@@H]1CC[C@H]3C[C@@]21CCN3CCc1ccccc1 |r|
Show InChI InChI=1S/C22H25NO2/c24-19-8-4-7-18-21(19)25-20-10-9-17-15-22(18,20)12-14-23(17)13-11-16-5-2-1-3-6-16/h1-8,17,20,24H,9-15H2/t17?,20-,22+/m1/s1
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National Institute on Drug Abuse and the National Institute on Alcohol Abuse and Alcoholism

Curated by ChEMBL


Assay Description
Displacement of [125I]IOXY from human delta opioid receptor expressed in CHO cells coexpressing human recombinant DOR after 2 hrs by liquid scintilla...


Bioorg Med Chem 19: 4330-7 (2011)


Article DOI: 10.1016/j.bmc.2011.05.035
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50348872
PNG
(CHEMBL1808304)
Show SMILES Oc1cccc2c1O[C@H]1CC[C@@H]3C[C@]21CCN3CCc1ccccc1 |r|
Show InChI InChI=1S/C22H25NO2/c24-19-8-4-7-18-21(19)25-20-10-9-17-15-22(18,20)12-14-23(17)13-11-16-5-2-1-3-6-16/h1-8,17,20,24H,9-15H2/t17-,20+,22-/m1/s1
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National Institute on Drug Abuse and the National Institute on Alcohol Abuse and Alcoholism

Curated by ChEMBL


Assay Description
Displacement of [125I]IOXY from human delta opioid receptor expressed in CHO cells coexpressing human recombinant DOR after 2 hrs by liquid scintilla...


Bioorg Med Chem 19: 4330-7 (2011)


Article DOI: 10.1016/j.bmc.2011.05.035
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50273933
PNG
((4R*,6aS*,11bR*)-2,3,4,5,6,6a-Hexahydro-3-phenethy...)
Show SMILES Oc1ccc2O[C@@H]3CC[C@H]4C[C@@]3(CCN4CCc3ccccc3)c2c1 |r|
Show InChI InChI=1S/C22H25NO2/c24-18-7-8-20-19(14-18)22-11-13-23(12-10-16-4-2-1-3-5-16)17(15-22)6-9-21(22)25-20/h1-5,7-8,14,17,21,24H,6,9-13,15H2/t17?,21-,22+/m1/s1
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National Institute on Drug Abuse and the National Institute on Alcohol Abuse and Alcoholism

Curated by ChEMBL


Assay Description
Displacement of [125I]IOXY from human delta opioid receptor expressed in CHO cells coexpressing human recombinant DOR after 2 hrs by liquid scintilla...


Bioorg Med Chem 19: 4330-7 (2011)


Article DOI: 10.1016/j.bmc.2011.05.035
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50348867
PNG
(CHEMBL1808299)
Show SMILES CN1CC[C@]23C[C@H]1CC[C@H]2Oc1c3cccc1O |r|
Show InChI InChI=1S/C15H19NO2/c1-16-8-7-15-9-10(16)5-6-13(15)18-14-11(15)3-2-4-12(14)17/h2-4,10,13,17H,5-9H2,1H3/t10-,13-,15-/m1/s1
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7.50E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse and the National Institute on Alcohol Abuse and Alcoholism

Curated by ChEMBL


Assay Description
Displacement of [125I]IOXY from human kappa opioid receptor expressed in CHO cells coexpressing human recombinant KOP after 2 hrs by liquid scintilla...


Bioorg Med Chem 19: 4330-7 (2011)


Article DOI: 10.1016/j.bmc.2011.05.035
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50348868
PNG
(CHEMBL1808301)
Show SMILES CN1CC[C@]23C[C@H]1CC[C@H]2Oc1ccc(O)cc31 |r|
Show InChI InChI=1S/C15H19NO2/c1-16-7-6-15-9-10(16)2-5-14(15)18-13-4-3-11(17)8-12(13)15/h3-4,8,10,14,17H,2,5-7,9H2,1H3/t10-,14-,15-/m1/s1
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>8.60E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse and the National Institute on Alcohol Abuse and Alcoholism

Curated by ChEMBL


Assay Description
Displacement of [125I]IOXY from human kappa opioid receptor expressed in CHO cells coexpressing human recombinant KOP after 2 hrs by liquid scintilla...


Bioorg Med Chem 19: 4330-7 (2011)


Article DOI: 10.1016/j.bmc.2011.05.035
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%