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PubMed code 20055417

Compile data set for download or QSAR
Found 62 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))
BDBM50037134
PNG
((+)-trans-3-Cyclopropylmethyl-2,3,4,4aalpha,5,6,7,...)
Show SMILES Oc1cccc2c1O[C@H]1CCC[C@H]3CN(CC4CC4)CC[C@]213
Show InChI InChI=1S/C19H25NO2/c21-16-5-2-4-15-18(16)22-17-6-1-3-14-12-20(11-13-7-8-13)10-9-19(14,15)17/h2,4-5,13-14,17,21H,1,3,6-12H2/t14-,17-,19-/m0/s1
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0.0800n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


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


J Med Chem 53: 1392-6 (2010)


Article DOI: 10.1021/jm901503e
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50037134
PNG
((+)-trans-3-Cyclopropylmethyl-2,3,4,4aalpha,5,6,7,...)
Show SMILES Oc1cccc2c1O[C@H]1CCC[C@H]3CN(CC4CC4)CC[C@]213
Show InChI InChI=1S/C19H25NO2/c21-16-5-2-4-15-18(16)22-17-6-1-3-14-12-20(11-13-7-8-13)10-9-19(14,15)17/h2,4-5,13-14,17,21H,1,3,6-12H2/t14-,17-,19-/m0/s1
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0.100n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


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


J Med Chem 53: 1392-6 (2010)


Article DOI: 10.1021/jm901503e
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50037134
PNG
((+)-trans-3-Cyclopropylmethyl-2,3,4,4aalpha,5,6,7,...)
Show SMILES Oc1cccc2c1O[C@H]1CCC[C@H]3CN(CC4CC4)CC[C@]213
Show InChI InChI=1S/C19H25NO2/c21-16-5-2-4-15-18(16)22-17-6-1-3-14-12-20(11-13-7-8-13)10-9-19(14,15)17/h2,4-5,13-14,17,21H,1,3,6-12H2/t14-,17-,19-/m0/s1
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0.100n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


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


J Med Chem 53: 1392-6 (2010)


Article DOI: 10.1021/jm901503e
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50303852
PNG
((+)-trans-3-(2-Phenylethyl)-2,3,4,4aalpha,5,6,7,7a...)
Show SMILES Oc1cccc2c1O[C@H]1CCC[C@H]3CN(CCc4ccccc4)CC[C@]213 |r|
Show InChI InChI=1S/C23H27NO2/c25-20-10-5-9-19-22(20)26-21-11-4-8-18-16-24(15-13-23(18,19)21)14-12-17-6-2-1-3-7-17/h1-3,5-7,9-10,18,21,25H,4,8,11-16H2/t18-,21-,23-/m0/s1
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0.300n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


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


J Med Chem 53: 1392-6 (2010)


Article DOI: 10.1021/jm901503e
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50303852
PNG
((+)-trans-3-(2-Phenylethyl)-2,3,4,4aalpha,5,6,7,7a...)
Show SMILES Oc1cccc2c1O[C@H]1CCC[C@H]3CN(CCc4ccccc4)CC[C@]213 |r|
Show InChI InChI=1S/C23H27NO2/c25-20-10-5-9-19-22(20)26-21-11-4-8-18-16-24(15-13-23(18,19)21)14-12-17-6-2-1-3-7-17/h1-3,5-7,9-10,18,21,25H,4,8,11-16H2/t18-,21-,23-/m0/s1
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0.300n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Binding affinity to human mu opioid receptor expressed in CHO cells


J Med Chem 53: 1392-6 (2010)


Article DOI: 10.1021/jm901503e
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50303848
PNG
((+)-trans-3-Methyl-2,3,4,4aalpha,5,6,7,7aalpha-oct...)
Show SMILES CN1CC[C@]23[C@H](CCC[C@H]2C1)Oc1c3cccc1O |r|
Show InChI InChI=1S/C16H21NO2/c1-17-9-8-16-11(10-17)4-2-7-14(16)19-15-12(16)5-3-6-13(15)18/h3,5-6,11,14,18H,2,4,7-10H2,1H3/t11-,14-,16-/m0/s1
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0.650n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


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


J Med Chem 53: 1392-6 (2010)


Article DOI: 10.1021/jm901503e
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50303848
PNG
((+)-trans-3-Methyl-2,3,4,4aalpha,5,6,7,7aalpha-oct...)
Show SMILES CN1CC[C@]23[C@H](CCC[C@H]2C1)Oc1c3cccc1O |r|
Show InChI InChI=1S/C16H21NO2/c1-17-9-8-16-11(10-17)4-2-7-14(16)19-15-12(16)5-3-6-13(15)18/h3,5-6,11,14,18H,2,4,7-10H2,1H3/t11-,14-,16-/m0/s1
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0.650n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Binding affinity to human mu opioid receptor expressed in CHO cells


J Med Chem 53: 1392-6 (2010)


Article DOI: 10.1021/jm901503e
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50000788
PNG
((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...)
Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r|
Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1
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0.980n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Binding affinity to human mu opioid receptor expressed in CHO cells


J Med Chem 53: 1392-6 (2010)


Article DOI: 10.1021/jm901503e
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50037134
PNG
((+)-trans-3-Cyclopropylmethyl-2,3,4,4aalpha,5,6,7,...)
Show SMILES Oc1cccc2c1O[C@H]1CCC[C@H]3CN(CC4CC4)CC[C@]213
Show InChI InChI=1S/C19H25NO2/c21-16-5-2-4-15-18(16)22-17-6-1-3-14-12-20(11-13-7-8-13)10-9-19(14,15)17/h2,4-5,13-14,17,21H,1,3,6-12H2/t14-,17-,19-/m0/s1
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2n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


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


J Med Chem 53: 1392-6 (2010)


Article DOI: 10.1021/jm901503e
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50001033
PNG
((-)-Pentazocine | 3-But-2-enyl-6,11-dimethyl-1,2,3...)
Show SMILES [H][C@]12[#6]-c3ccc(-[#8])cc3[C@]([#6])([#6]-[#6]-[#7]1-[#6]\[#6]=[#6](/[#6])-[#6])[#6@@H]2-[#6] |r,TLB:21:20:9.3.2:12.13.14|
Show InChI InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3/t14-,18-,19-/m1/s1
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2.20n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


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


J Med Chem 53: 1392-6 (2010)


Article DOI: 10.1021/jm901503e
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50000788
PNG
((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...)
Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r|
Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1
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3n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


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


J Med Chem 53: 1392-6 (2010)


Article DOI: 10.1021/jm901503e
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50001033
PNG
((-)-Pentazocine | 3-But-2-enyl-6,11-dimethyl-1,2,3...)
Show SMILES [H][C@]12[#6]-c3ccc(-[#8])cc3[C@]([#6])([#6]-[#6]-[#7]1-[#6]\[#6]=[#6](/[#6])-[#6])[#6@@H]2-[#6] |r,TLB:21:20:9.3.2:12.13.14|
Show InChI InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3/t14-,18-,19-/m1/s1
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3.90n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


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


J Med Chem 53: 1392-6 (2010)


Article DOI: 10.1021/jm901503e
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50303852
PNG
((+)-trans-3-(2-Phenylethyl)-2,3,4,4aalpha,5,6,7,7a...)
Show SMILES Oc1cccc2c1O[C@H]1CCC[C@H]3CN(CCc4ccccc4)CC[C@]213 |r|
Show InChI InChI=1S/C23H27NO2/c25-20-10-5-9-19-22(20)26-21-11-4-8-18-16-24(15-13-23(18,19)21)14-12-17-6-2-1-3-7-17/h1-3,5-7,9-10,18,21,25H,4,8,11-16H2/t18-,21-,23-/m0/s1
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6n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


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


J Med Chem 53: 1392-6 (2010)


Article DOI: 10.1021/jm901503e
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50035131
PNG
((+)-(6R,11S)-6,11-dimethyl-3-(3-methyl-but-2-enyl)...)
Show SMILES [#6]-[#6@@H]1-[#6@@H]-2-[#6]-c3ccc(-[#8])cc3[C@@]1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](/[#6])-[#6] |r,TLB:16:15:10.4.3:1|
Show InChI InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3/t14-,18+,19+/m1/s1
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6n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in rat brain homogenate


J Med Chem 53: 1392-6 (2010)


Article DOI: 10.1021/jm901503e
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50303852
PNG
((+)-trans-3-(2-Phenylethyl)-2,3,4,4aalpha,5,6,7,7a...)
Show SMILES Oc1cccc2c1O[C@H]1CCC[C@H]3CN(CCc4ccccc4)CC[C@]213 |r|
Show InChI InChI=1S/C23H27NO2/c25-20-10-5-9-19-22(20)26-21-11-4-8-18-16-24(15-13-23(18,19)21)14-12-17-6-2-1-3-7-17/h1-3,5-7,9-10,18,21,25H,4,8,11-16H2/t18-,21-,23-/m0/s1
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15n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


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


J Med Chem 53: 1392-6 (2010)


Article DOI: 10.1021/jm901503e
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50303852
PNG
((+)-trans-3-(2-Phenylethyl)-2,3,4,4aalpha,5,6,7,7a...)
Show SMILES Oc1cccc2c1O[C@H]1CCC[C@H]3CN(CCc4ccccc4)CC[C@]213 |r|
Show InChI InChI=1S/C23H27NO2/c25-20-10-5-9-19-22(20)26-21-11-4-8-18-16-24(15-13-23(18,19)21)14-12-17-6-2-1-3-7-17/h1-3,5-7,9-10,18,21,25H,4,8,11-16H2/t18-,21-,23-/m0/s1
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15n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


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


J Med Chem 53: 1392-6 (2010)


Article DOI: 10.1021/jm901503e
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50001033
PNG
((-)-Pentazocine | 3-But-2-enyl-6,11-dimethyl-1,2,3...)
Show SMILES [H][C@]12[#6]-c3ccc(-[#8])cc3[C@]([#6])([#6]-[#6]-[#7]1-[#6]\[#6]=[#6](/[#6])-[#6])[#6@@H]2-[#6] |r,TLB:21:20:9.3.2:12.13.14|
Show InChI InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3/t14-,18-,19-/m1/s1
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16n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in rat brain homogenate


J Med Chem 53: 1392-6 (2010)


Article DOI: 10.1021/jm901503e
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50001033
PNG
((-)-Pentazocine | 3-But-2-enyl-6,11-dimethyl-1,2,3...)
Show SMILES [H][C@]12[#6]-c3ccc(-[#8])cc3[C@]([#6])([#6]-[#6]-[#7]1-[#6]\[#6]=[#6](/[#6])-[#6])[#6@@H]2-[#6] |r,TLB:21:20:9.3.2:12.13.14|
Show InChI InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3/t14-,18-,19-/m1/s1
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49n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


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


J Med Chem 53: 1392-6 (2010)


Article DOI: 10.1021/jm901503e
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50000788
PNG
((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...)
Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r|
Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1
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51n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


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


J Med Chem 53: 1392-6 (2010)


Article DOI: 10.1021/jm901503e
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50303852
PNG
((+)-trans-3-(2-Phenylethyl)-2,3,4,4aalpha,5,6,7,7a...)
Show SMILES Oc1cccc2c1O[C@H]1CCC[C@H]3CN(CCc4ccccc4)CC[C@]213 |r|
Show InChI InChI=1S/C23H27NO2/c25-20-10-5-9-19-22(20)26-21-11-4-8-18-16-24(15-13-23(18,19)21)14-12-17-6-2-1-3-7-17/h1-3,5-7,9-10,18,21,25H,4,8,11-16H2/t18-,21-,23-/m0/s1
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131n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in rat brain homogenate


J Med Chem 53: 1392-6 (2010)


Article DOI: 10.1021/jm901503e
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50303852
PNG
((+)-trans-3-(2-Phenylethyl)-2,3,4,4aalpha,5,6,7,7a...)
Show SMILES Oc1cccc2c1O[C@H]1CCC[C@H]3CN(CCc4ccccc4)CC[C@]213 |r|
Show InChI InChI=1S/C23H27NO2/c25-20-10-5-9-19-22(20)26-21-11-4-8-18-16-24(15-13-23(18,19)21)14-12-17-6-2-1-3-7-17/h1-3,5-7,9-10,18,21,25H,4,8,11-16H2/t18-,21-,23-/m0/s1
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131n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in rat brain homogenate


J Med Chem 53: 1392-6 (2010)


Article DOI: 10.1021/jm901503e
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50303853
PNG
((+)-trans-9-Methoxy-3-(2-phenylethyl)-2,3,4,4aalph...)
Show SMILES COc1cccc2c1O[C@H]1CCC[C@H]3CN(CCc4ccccc4)CC[C@]213 |r|
Show InChI InChI=1S/C24H29NO2/c1-26-21-11-6-10-20-23(21)27-22-12-5-9-19-17-25(16-14-24(19,20)22)15-13-18-7-3-2-4-8-18/h2-4,6-8,10-11,19,22H,5,9,12-17H2,1H3/t19-,22-,24-/m0/s1
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145n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


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


J Med Chem 53: 1392-6 (2010)


Article DOI: 10.1021/jm901503e
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50303853
PNG
((+)-trans-9-Methoxy-3-(2-phenylethyl)-2,3,4,4aalph...)
Show SMILES COc1cccc2c1O[C@H]1CCC[C@H]3CN(CCc4ccccc4)CC[C@]213 |r|
Show InChI InChI=1S/C24H29NO2/c1-26-21-11-6-10-20-23(21)27-22-12-5-9-19-17-25(16-14-24(19,20)22)15-13-18-7-3-2-4-8-18/h2-4,6-8,10-11,19,22H,5,9,12-17H2,1H3/t19-,22-,24-/m0/s1
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145n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Binding affinity to human mu opioid receptor expressed in CHO cells


J Med Chem 53: 1392-6 (2010)


Article DOI: 10.1021/jm901503e
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50303853
PNG
((+)-trans-9-Methoxy-3-(2-phenylethyl)-2,3,4,4aalph...)
Show SMILES COc1cccc2c1O[C@H]1CCC[C@H]3CN(CCc4ccccc4)CC[C@]213 |r|
Show InChI InChI=1S/C24H29NO2/c1-26-21-11-6-10-20-23(21)27-22-12-5-9-19-17-25(16-14-24(19,20)22)15-13-18-7-3-2-4-8-18/h2-4,6-8,10-11,19,22H,5,9,12-17H2,1H3/t19-,22-,24-/m0/s1
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278n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in rat brain homogenate


J Med Chem 53: 1392-6 (2010)


Article DOI: 10.1021/jm901503e
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50303853
PNG
((+)-trans-9-Methoxy-3-(2-phenylethyl)-2,3,4,4aalph...)
Show SMILES COc1cccc2c1O[C@H]1CCC[C@H]3CN(CCc4ccccc4)CC[C@]213 |r|
Show InChI InChI=1S/C24H29NO2/c1-26-21-11-6-10-20-23(21)27-22-12-5-9-19-17-25(16-14-24(19,20)22)15-13-18-7-3-2-4-8-18/h2-4,6-8,10-11,19,22H,5,9,12-17H2,1H3/t19-,22-,24-/m0/s1
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278n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in rat brain homogenate


J Med Chem 53: 1392-6 (2010)


Article DOI: 10.1021/jm901503e
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50303850
PNG
((+)-trans-3-Cyclopropylmethyl-9-methoxy-2,3,4,4aal...)
Show SMILES COc1cccc2c1O[C@H]1CCC[C@H]3CN(CC4CC4)CC[C@]213 |r|
Show InChI InChI=1S/C20H27NO2/c1-22-17-6-3-5-16-19(17)23-18-7-2-4-15-13-21(12-14-8-9-14)11-10-20(15,16)18/h3,5-6,14-15,18H,2,4,7-13H2,1H3/t15-,18-,20-/m0/s1
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285n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in rat brain homogenate


J Med Chem 53: 1392-6 (2010)


Article DOI: 10.1021/jm901503e
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50303850
PNG
((+)-trans-3-Cyclopropylmethyl-9-methoxy-2,3,4,4aal...)
Show SMILES COc1cccc2c1O[C@H]1CCC[C@H]3CN(CC4CC4)CC[C@]213 |r|
Show InChI InChI=1S/C20H27NO2/c1-22-17-6-3-5-16-19(17)23-18-7-2-4-15-13-21(12-14-8-9-14)11-10-20(15,16)18/h3,5-6,14-15,18H,2,4,7-13H2,1H3/t15-,18-,20-/m0/s1
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285n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in rat brain homogenate


J Med Chem 53: 1392-6 (2010)


Article DOI: 10.1021/jm901503e
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50037134
PNG
((+)-trans-3-Cyclopropylmethyl-2,3,4,4aalpha,5,6,7,...)
Show SMILES Oc1cccc2c1O[C@H]1CCC[C@H]3CN(CC4CC4)CC[C@]213
Show InChI InChI=1S/C19H25NO2/c21-16-5-2-4-15-18(16)22-17-6-1-3-14-12-20(11-13-7-8-13)10-9-19(14,15)17/h2,4-5,13-14,17,21H,1,3,6-12H2/t14-,17-,19-/m0/s1
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399n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in rat brain homogenate


J Med Chem 53: 1392-6 (2010)


Article DOI: 10.1021/jm901503e
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50037134
PNG
((+)-trans-3-Cyclopropylmethyl-2,3,4,4aalpha,5,6,7,...)
Show SMILES Oc1cccc2c1O[C@H]1CCC[C@H]3CN(CC4CC4)CC[C@]213
Show InChI InChI=1S/C19H25NO2/c21-16-5-2-4-15-18(16)22-17-6-1-3-14-12-20(11-13-7-8-13)10-9-19(14,15)17/h2,4-5,13-14,17,21H,1,3,6-12H2/t14-,17-,19-/m0/s1
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399n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in rat brain homogenate


J Med Chem 53: 1392-6 (2010)


Article DOI: 10.1021/jm901503e
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50303851
PNG
((+)-cis-3-Methyl-2,3,4,4aalpha,5,6,7,7aalpha-octah...)
Show SMILES COc1cccc2c1O[C@H]1CCC[C@@H]3CN(C)CC[C@]213 |r|
Show InChI InChI=1S/C17H23NO2/c1-18-10-9-17-12(11-18)5-3-8-15(17)20-16-13(17)6-4-7-14(16)19-2/h4,6-7,12,15H,3,5,8-11H2,1-2H3/t12-,15+,17+/m1/s1
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1.85E+3n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


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


J Med Chem 53: 1392-6 (2010)


Article DOI: 10.1021/jm901503e
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50303851
PNG
((+)-cis-3-Methyl-2,3,4,4aalpha,5,6,7,7aalpha-octah...)
Show SMILES COc1cccc2c1O[C@H]1CCC[C@@H]3CN(C)CC[C@]213 |r|
Show InChI InChI=1S/C17H23NO2/c1-18-10-9-17-12(11-18)5-3-8-15(17)20-16-13(17)6-4-7-14(16)19-2/h4,6-7,12,15H,3,5,8-11H2,1-2H3/t12-,15+,17+/m1/s1
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1.85E+3n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


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


J Med Chem 53: 1392-6 (2010)


Article DOI: 10.1021/jm901503e
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50303853
PNG
((+)-trans-9-Methoxy-3-(2-phenylethyl)-2,3,4,4aalph...)
Show SMILES COc1cccc2c1O[C@H]1CCC[C@H]3CN(CCc4ccccc4)CC[C@]213 |r|
Show InChI InChI=1S/C24H29NO2/c1-26-21-11-6-10-20-23(21)27-22-12-5-9-19-17-25(16-14-24(19,20)22)15-13-18-7-3-2-4-8-18/h2-4,6-8,10-11,19,22H,5,9,12-17H2,1H3/t19-,22-,24-/m0/s1
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1.85E+3n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


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


J Med Chem 53: 1392-6 (2010)


Article DOI: 10.1021/jm901503e
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50303853
PNG
((+)-trans-9-Methoxy-3-(2-phenylethyl)-2,3,4,4aalph...)
Show SMILES COc1cccc2c1O[C@H]1CCC[C@H]3CN(CCc4ccccc4)CC[C@]213 |r|
Show InChI InChI=1S/C24H29NO2/c1-26-21-11-6-10-20-23(21)27-22-12-5-9-19-17-25(16-14-24(19,20)22)15-13-18-7-3-2-4-8-18/h2-4,6-8,10-11,19,22H,5,9,12-17H2,1H3/t19-,22-,24-/m0/s1
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1.85E+3n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


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


J Med Chem 53: 1392-6 (2010)


Article DOI: 10.1021/jm901503e
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50303848
PNG
((+)-trans-3-Methyl-2,3,4,4aalpha,5,6,7,7aalpha-oct...)
Show SMILES CN1CC[C@]23[C@H](CCC[C@H]2C1)Oc1c3cccc1O |r|
Show InChI InChI=1S/C16H21NO2/c1-17-9-8-16-11(10-17)4-2-7-14(16)19-15-12(16)5-3-6-13(15)18/h3,5-6,11,14,18H,2,4,7-10H2,1H3/t11-,14-,16-/m0/s1
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6.90E+3n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


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


J Med Chem 53: 1392-6 (2010)


Article DOI: 10.1021/jm901503e
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50303848
PNG
((+)-trans-3-Methyl-2,3,4,4aalpha,5,6,7,7aalpha-oct...)
Show SMILES CN1CC[C@]23[C@H](CCC[C@H]2C1)Oc1c3cccc1O |r|
Show InChI InChI=1S/C16H21NO2/c1-17-9-8-16-11(10-17)4-2-7-14(16)19-15-12(16)5-3-6-13(15)18/h3,5-6,11,14,18H,2,4,7-10H2,1H3/t11-,14-,16-/m0/s1
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6.90E+3n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


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


J Med Chem 53: 1392-6 (2010)


Article DOI: 10.1021/jm901503e
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50303847
PNG
((+)-trans-9-Methoxy-3-methyl-2,3,4,4aalpha,5,6,7,7...)
Show SMILES COc1cccc2c1O[C@H]1CCC[C@H]3CN(C)CC[C@]213 |r|
Show InChI InChI=1S/C17H23NO2/c1-18-10-9-17-12(11-18)5-3-8-15(17)20-16-13(17)6-4-7-14(16)19-2/h4,6-7,12,15H,3,5,8-11H2,1-2H3/t12-,15-,17-/m0/s1
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7.23E+3n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


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


J Med Chem 53: 1392-6 (2010)


Article DOI: 10.1021/jm901503e
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50303847
PNG
((+)-trans-9-Methoxy-3-methyl-2,3,4,4aalpha,5,6,7,7...)
Show SMILES COc1cccc2c1O[C@H]1CCC[C@H]3CN(C)CC[C@]213 |r|
Show InChI InChI=1S/C17H23NO2/c1-18-10-9-17-12(11-18)5-3-8-15(17)20-16-13(17)6-4-7-14(16)19-2/h4,6-7,12,15H,3,5,8-11H2,1-2H3/t12-,15-,17-/m0/s1
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7.23E+3n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


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


J Med Chem 53: 1392-6 (2010)


Article DOI: 10.1021/jm901503e
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50303847
PNG
((+)-trans-9-Methoxy-3-methyl-2,3,4,4aalpha,5,6,7,7...)
Show SMILES COc1cccc2c1O[C@H]1CCC[C@H]3CN(C)CC[C@]213 |r|
Show InChI InChI=1S/C17H23NO2/c1-18-10-9-17-12(11-18)5-3-8-15(17)20-16-13(17)6-4-7-14(16)19-2/h4,6-7,12,15H,3,5,8-11H2,1-2H3/t12-,15-,17-/m0/s1
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7.61E+3n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


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


J Med Chem 53: 1392-6 (2010)


Article DOI: 10.1021/jm901503e
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50303847
PNG
((+)-trans-9-Methoxy-3-methyl-2,3,4,4aalpha,5,6,7,7...)
Show SMILES COc1cccc2c1O[C@H]1CCC[C@H]3CN(C)CC[C@]213 |r|
Show InChI InChI=1S/C17H23NO2/c1-18-10-9-17-12(11-18)5-3-8-15(17)20-16-13(17)6-4-7-14(16)19-2/h4,6-7,12,15H,3,5,8-11H2,1-2H3/t12-,15-,17-/m0/s1
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7.61E+3n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Binding affinity to human mu opioid receptor expressed in CHO cells


J Med Chem 53: 1392-6 (2010)


Article DOI: 10.1021/jm901503e
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50303853
PNG
((+)-trans-9-Methoxy-3-(2-phenylethyl)-2,3,4,4aalph...)
Show SMILES COc1cccc2c1O[C@H]1CCC[C@H]3CN(CCc4ccccc4)CC[C@]213 |r|
Show InChI InChI=1S/C24H29NO2/c1-26-21-11-6-10-20-23(21)27-22-12-5-9-19-17-25(16-14-24(19,20)22)15-13-18-7-3-2-4-8-18/h2-4,6-8,10-11,19,22H,5,9,12-17H2,1H3/t19-,22-,24-/m0/s1
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PubMed
8.39E+3n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


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


J Med Chem 53: 1392-6 (2010)


Article DOI: 10.1021/jm901503e
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50303851
PNG
((+)-cis-3-Methyl-2,3,4,4aalpha,5,6,7,7aalpha-octah...)
Show SMILES COc1cccc2c1O[C@H]1CCC[C@@H]3CN(C)CC[C@]213 |r|
Show InChI InChI=1S/C17H23NO2/c1-18-10-9-17-12(11-18)5-3-8-15(17)20-16-13(17)6-4-7-14(16)19-2/h4,6-7,12,15H,3,5,8-11H2,1-2H3/t12-,15+,17+/m1/s1
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UniChem
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>1.00E+4n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


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


J Med Chem 53: 1392-6 (2010)


Article DOI: 10.1021/jm901503e
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50303851
PNG
((+)-cis-3-Methyl-2,3,4,4aalpha,5,6,7,7aalpha-octah...)
Show SMILES COc1cccc2c1O[C@H]1CCC[C@@H]3CN(C)CC[C@]213 |r|
Show InChI InChI=1S/C17H23NO2/c1-18-10-9-17-12(11-18)5-3-8-15(17)20-16-13(17)6-4-7-14(16)19-2/h4,6-7,12,15H,3,5,8-11H2,1-2H3/t12-,15+,17+/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


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


J Med Chem 53: 1392-6 (2010)


Article DOI: 10.1021/jm901503e
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50303848
PNG
((+)-trans-3-Methyl-2,3,4,4aalpha,5,6,7,7aalpha-oct...)
Show SMILES CN1CC[C@]23[C@H](CCC[C@H]2C1)Oc1c3cccc1O |r|
Show InChI InChI=1S/C16H21NO2/c1-17-9-8-16-11(10-17)4-2-7-14(16)19-15-12(16)5-3-6-13(15)18/h3,5-6,11,14,18H,2,4,7-10H2,1H3/t11-,14-,16-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in rat brain homogenate


J Med Chem 53: 1392-6 (2010)


Article DOI: 10.1021/jm901503e
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50303850
PNG
((+)-trans-3-Cyclopropylmethyl-9-methoxy-2,3,4,4aal...)
Show SMILES COc1cccc2c1O[C@H]1CCC[C@H]3CN(CC4CC4)CC[C@]213 |r|
Show InChI InChI=1S/C20H27NO2/c1-22-17-6-3-5-16-19(17)23-18-7-2-4-15-13-21(12-14-8-9-14)11-10-20(15,16)18/h3,5-6,14-15,18H,2,4,7-13H2,1H3/t15-,18-,20-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Binding affinity to human mu opioid receptor expressed in CHO cells


J Med Chem 53: 1392-6 (2010)


Article DOI: 10.1021/jm901503e
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50303851
PNG
((+)-cis-3-Methyl-2,3,4,4aalpha,5,6,7,7aalpha-octah...)
Show SMILES COc1cccc2c1O[C@H]1CCC[C@@H]3CN(C)CC[C@]213 |r|
Show InChI InChI=1S/C17H23NO2/c1-18-10-9-17-12(11-18)5-3-8-15(17)20-16-13(17)6-4-7-14(16)19-2/h4,6-7,12,15H,3,5,8-11H2,1-2H3/t12-,15+,17+/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Binding affinity to human mu opioid receptor expressed in CHO cells


J Med Chem 53: 1392-6 (2010)


Article DOI: 10.1021/jm901503e
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50303848
PNG
((+)-trans-3-Methyl-2,3,4,4aalpha,5,6,7,7aalpha-oct...)
Show SMILES CN1CC[C@]23[C@H](CCC[C@H]2C1)Oc1c3cccc1O |r|
Show InChI InChI=1S/C16H21NO2/c1-17-9-8-16-11(10-17)4-2-7-14(16)19-15-12(16)5-3-6-13(15)18/h3,5-6,11,14,18H,2,4,7-10H2,1H3/t11-,14-,16-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


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


J Med Chem 53: 1392-6 (2010)


Article DOI: 10.1021/jm901503e
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50303850
PNG
((+)-trans-3-Cyclopropylmethyl-9-methoxy-2,3,4,4aal...)
Show SMILES COc1cccc2c1O[C@H]1CCC[C@H]3CN(CC4CC4)CC[C@]213 |r|
Show InChI InChI=1S/C20H27NO2/c1-22-17-6-3-5-16-19(17)23-18-7-2-4-15-13-21(12-14-8-9-14)11-10-20(15,16)18/h3,5-6,14-15,18H,2,4,7-13H2,1H3/t15-,18-,20-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


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


J Med Chem 53: 1392-6 (2010)


Article DOI: 10.1021/jm901503e
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50303847
PNG
((+)-trans-9-Methoxy-3-methyl-2,3,4,4aalpha,5,6,7,7...)
Show SMILES COc1cccc2c1O[C@H]1CCC[C@H]3CN(C)CC[C@]213 |r|
Show InChI InChI=1S/C17H23NO2/c1-18-10-9-17-12(11-18)5-3-8-15(17)20-16-13(17)6-4-7-14(16)19-2/h4,6-7,12,15H,3,5,8-11H2,1-2H3/t12-,15-,17-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


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


J Med Chem 53: 1392-6 (2010)


Article DOI: 10.1021/jm901503e
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50303847
PNG
((+)-trans-9-Methoxy-3-methyl-2,3,4,4aalpha,5,6,7,7...)
Show SMILES COc1cccc2c1O[C@H]1CCC[C@H]3CN(C)CC[C@]213 |r|
Show InChI InChI=1S/C17H23NO2/c1-18-10-9-17-12(11-18)5-3-8-15(17)20-16-13(17)6-4-7-14(16)19-2/h4,6-7,12,15H,3,5,8-11H2,1-2H3/t12-,15-,17-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in rat brain homogenate


J Med Chem 53: 1392-6 (2010)


Article DOI: 10.1021/jm901503e
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50303850
PNG
((+)-trans-3-Cyclopropylmethyl-9-methoxy-2,3,4,4aal...)
Show SMILES COc1cccc2c1O[C@H]1CCC[C@H]3CN(CC4CC4)CC[C@]213 |r|
Show InChI InChI=1S/C20H27NO2/c1-22-17-6-3-5-16-19(17)23-18-7-2-4-15-13-21(12-14-8-9-14)11-10-20(15,16)18/h3,5-6,14-15,18H,2,4,7-13H2,1H3/t15-,18-,20-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


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


J Med Chem 53: 1392-6 (2010)


Article DOI: 10.1021/jm901503e
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50303847
PNG
((+)-trans-9-Methoxy-3-methyl-2,3,4,4aalpha,5,6,7,7...)
Show SMILES COc1cccc2c1O[C@H]1CCC[C@H]3CN(C)CC[C@]213 |r|
Show InChI InChI=1S/C17H23NO2/c1-18-10-9-17-12(11-18)5-3-8-15(17)20-16-13(17)6-4-7-14(16)19-2/h4,6-7,12,15H,3,5,8-11H2,1-2H3/t12-,15-,17-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in rat brain homogenate


J Med Chem 53: 1392-6 (2010)


Article DOI: 10.1021/jm901503e
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50303849
PNG
((+)-cis-9-Methoxy-3-methyl-2,3,4,4aalpha,5,6,7,7aa...)
Show SMILES CN1CC[C@]23[C@H](CCC[C@@H]2C1)Oc1c3cccc1O |r|
Show InChI InChI=1S/C16H21NO2/c1-17-9-8-16-11(10-17)4-2-7-14(16)19-15-12(16)5-3-6-13(15)18/h3,5-6,11,14,18H,2,4,7-10H2,1H3/t11-,14+,16+/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


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


J Med Chem 53: 1392-6 (2010)


Article DOI: 10.1021/jm901503e
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50303849
PNG
((+)-cis-9-Methoxy-3-methyl-2,3,4,4aalpha,5,6,7,7aa...)
Show SMILES CN1CC[C@]23[C@H](CCC[C@@H]2C1)Oc1c3cccc1O |r|
Show InChI InChI=1S/C16H21NO2/c1-17-9-8-16-11(10-17)4-2-7-14(16)19-15-12(16)5-3-6-13(15)18/h3,5-6,11,14,18H,2,4,7-10H2,1H3/t11-,14+,16+/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


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


J Med Chem 53: 1392-6 (2010)


Article DOI: 10.1021/jm901503e
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50303849
PNG
((+)-cis-9-Methoxy-3-methyl-2,3,4,4aalpha,5,6,7,7aa...)
Show SMILES CN1CC[C@]23[C@H](CCC[C@@H]2C1)Oc1c3cccc1O |r|
Show InChI InChI=1S/C16H21NO2/c1-17-9-8-16-11(10-17)4-2-7-14(16)19-15-12(16)5-3-6-13(15)18/h3,5-6,11,14,18H,2,4,7-10H2,1H3/t11-,14+,16+/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


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


J Med Chem 53: 1392-6 (2010)


Article DOI: 10.1021/jm901503e
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50000788
PNG
((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...)
Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r|
Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in rat brain homogenate


J Med Chem 53: 1392-6 (2010)


Article DOI: 10.1021/jm901503e
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50303849
PNG
((+)-cis-9-Methoxy-3-methyl-2,3,4,4aalpha,5,6,7,7aa...)
Show SMILES CN1CC[C@]23[C@H](CCC[C@@H]2C1)Oc1c3cccc1O |r|
Show InChI InChI=1S/C16H21NO2/c1-17-9-8-16-11(10-17)4-2-7-14(16)19-15-12(16)5-3-6-13(15)18/h3,5-6,11,14,18H,2,4,7-10H2,1H3/t11-,14+,16+/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


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


J Med Chem 53: 1392-6 (2010)


Article DOI: 10.1021/jm901503e
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50303849
PNG
((+)-cis-9-Methoxy-3-methyl-2,3,4,4aalpha,5,6,7,7aa...)
Show SMILES CN1CC[C@]23[C@H](CCC[C@@H]2C1)Oc1c3cccc1O |r|
Show InChI InChI=1S/C16H21NO2/c1-17-9-8-16-11(10-17)4-2-7-14(16)19-15-12(16)5-3-6-13(15)18/h3,5-6,11,14,18H,2,4,7-10H2,1H3/t11-,14+,16+/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Binding affinity to human mu opioid receptor expressed in CHO cells


J Med Chem 53: 1392-6 (2010)


Article DOI: 10.1021/jm901503e
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50303850
PNG
((+)-trans-3-Cyclopropylmethyl-9-methoxy-2,3,4,4aal...)
Show SMILES COc1cccc2c1O[C@H]1CCC[C@H]3CN(CC4CC4)CC[C@]213 |r|
Show InChI InChI=1S/C20H27NO2/c1-22-17-6-3-5-16-19(17)23-18-7-2-4-15-13-21(12-14-8-9-14)11-10-20(15,16)18/h3,5-6,14-15,18H,2,4,7-13H2,1H3/t15-,18-,20-/m0/s1
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National Taiwan University

Curated by ChEMBL


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


J Med Chem 53: 1392-6 (2010)


Article DOI: 10.1021/jm901503e
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50303848
PNG
((+)-trans-3-Methyl-2,3,4,4aalpha,5,6,7,7aalpha-oct...)
Show SMILES CN1CC[C@]23[C@H](CCC[C@H]2C1)Oc1c3cccc1O |r|
Show InChI InChI=1S/C16H21NO2/c1-17-9-8-16-11(10-17)4-2-7-14(16)19-15-12(16)5-3-6-13(15)18/h3,5-6,11,14,18H,2,4,7-10H2,1H3/t11-,14-,16-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in rat brain homogenate


J Med Chem 53: 1392-6 (2010)


Article DOI: 10.1021/jm901503e
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50303850
PNG
((+)-trans-3-Cyclopropylmethyl-9-methoxy-2,3,4,4aal...)
Show SMILES COc1cccc2c1O[C@H]1CCC[C@H]3CN(CC4CC4)CC[C@]213 |r|
Show InChI InChI=1S/C20H27NO2/c1-22-17-6-3-5-16-19(17)23-18-7-2-4-15-13-21(12-14-8-9-14)11-10-20(15,16)18/h3,5-6,14-15,18H,2,4,7-13H2,1H3/t15-,18-,20-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


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


J Med Chem 53: 1392-6 (2010)


Article DOI: 10.1021/jm901503e
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50037134
PNG
((+)-trans-3-Cyclopropylmethyl-2,3,4,4aalpha,5,6,7,...)
Show SMILES Oc1cccc2c1O[C@H]1CCC[C@H]3CN(CC4CC4)CC[C@]213
Show InChI InChI=1S/C19H25NO2/c21-16-5-2-4-15-18(16)22-17-6-1-3-14-12-20(11-13-7-8-13)10-9-19(14,15)17/h2,4-5,13-14,17,21H,1,3,6-12H2/t14-,17-,19-/m0/s1
PDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 0.220n/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Binding affinity to human mu opioid receptor expressed in CHO cells


J Med Chem 53: 1392-6 (2010)


Article DOI: 10.1021/jm901503e
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50037134
PNG
((+)-trans-3-Cyclopropylmethyl-2,3,4,4aalpha,5,6,7,...)
Show SMILES Oc1cccc2c1O[C@H]1CCC[C@H]3CN(CC4CC4)CC[C@]213
Show InChI InChI=1S/C19H25NO2/c21-16-5-2-4-15-18(16)22-17-6-1-3-14-12-20(11-13-7-8-13)10-9-19(14,15)17/h2,4-5,13-14,17,21H,1,3,6-12H2/t14-,17-,19-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 20n/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Binding affinity to human delta opioid receptor expressed in CHO cells


J Med Chem 53: 1392-6 (2010)


Article DOI: 10.1021/jm901503e
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%