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PubMed code 17720493

Compile data set for download or QSAR
Found 93 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))
BDBM50045775
PNG
((3R,4R)3-[1-(3-Cyclohexyl-3-hydroxy-propyl)-3,4-di...)
Show SMILES C[C@H]1CN(CC[C@H](O)C2CCCCC2)CC[C@@]1(C)c1cccc(O)c1
Show InChI InChI=1S/C22H35NO2/c1-17-16-23(13-11-21(25)18-7-4-3-5-8-18)14-12-22(17,2)19-9-6-10-20(24)15-19/h6,9-10,15,17-18,21,24-25H,3-5,7-8,11-14,16H2,1-2H3/t17-,21-,22+/m0/s1
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0.0430n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 5349-52 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.008
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50219919
PNG
(6-(4-((phenethylamino)methyl)phenoxy)nicotinamide ...)
Show SMILES NC(=O)c1ccc(Oc2ccc(CNCCc3ccccc3)cc2)nc1
Show InChI InChI=1S/C21H21N3O2/c22-21(25)18-8-11-20(24-15-18)26-19-9-6-17(7-10-19)14-23-13-12-16-4-2-1-3-5-16/h1-11,15,23H,12-14H2,(H2,22,25)
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0.0700n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 5349-52 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.008
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50045775
PNG
((3R,4R)3-[1-(3-Cyclohexyl-3-hydroxy-propyl)-3,4-di...)
Show SMILES C[C@H]1CN(CC[C@H](O)C2CCCCC2)CC[C@@]1(C)c1cccc(O)c1
Show InChI InChI=1S/C22H35NO2/c1-17-16-23(13-11-21(25)18-7-4-3-5-8-18)14-12-22(17,2)19-9-6-10-20(24)15-19/h6,9-10,15,17-18,21,24-25H,3-5,7-8,11-14,16H2,1-2H3/t17-,21-,22+/m0/s1
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0.150n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 5349-52 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.008
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50219921
PNG
(4-(4-((phenethylamino)methyl)phenoxy)benzamide | C...)
Show SMILES NC(=O)c1ccc(Oc2ccc(CNCCc3ccccc3)cc2)cc1
Show InChI InChI=1S/C22H22N2O2/c23-22(25)19-8-12-21(13-9-19)26-20-10-6-18(7-11-20)16-24-15-14-17-4-2-1-3-5-17/h1-13,24H,14-16H2,(H2,23,25)
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0.150n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 5349-52 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.008
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50219919
PNG
(6-(4-((phenethylamino)methyl)phenoxy)nicotinamide ...)
Show SMILES NC(=O)c1ccc(Oc2ccc(CNCCc3ccccc3)cc2)nc1
Show InChI InChI=1S/C21H21N3O2/c22-21(25)18-8-11-20(24-15-18)26-19-9-6-17(7-10-19)14-23-13-12-16-4-2-1-3-5-16/h1-11,15,23H,12-14H2,(H2,22,25)
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0.170n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO cells in presence of high sodium by SPA


Bioorg Med Chem Lett 17: 5349-52 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.008
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50219921
PNG
(4-(4-((phenethylamino)methyl)phenoxy)benzamide | C...)
Show SMILES NC(=O)c1ccc(Oc2ccc(CNCCc3ccccc3)cc2)cc1
Show InChI InChI=1S/C22H22N2O2/c23-22(25)19-8-12-21(13-9-19)26-20-10-6-18(7-11-20)16-24-15-14-17-4-2-1-3-5-17/h1-13,24H,14-16H2,(H2,23,25)
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0.290n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO cells in presence of high sodium by SPA


Bioorg Med Chem Lett 17: 5349-52 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.008
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50045775
PNG
((3R,4R)3-[1-(3-Cyclohexyl-3-hydroxy-propyl)-3,4-di...)
Show SMILES C[C@H]1CN(CC[C@H](O)C2CCCCC2)CC[C@@]1(C)c1cccc(O)c1
Show InChI InChI=1S/C22H35NO2/c1-17-16-23(13-11-21(25)18-7-4-3-5-8-18)14-12-22(17,2)19-9-6-10-20(24)15-19/h6,9-10,15,17-18,21,24-25H,3-5,7-8,11-14,16H2,1-2H3/t17-,21-,22+/m0/s1
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0.320n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 5349-52 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.008
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50219918
PNG
(5-(4-((phenethylamino)methyl)phenoxy)picolinamide ...)
Show SMILES NC(=O)c1ccc(Oc2ccc(CNCCc3ccccc3)cc2)cn1
Show InChI InChI=1S/C21H21N3O2/c22-21(25)20-11-10-19(15-24-20)26-18-8-6-17(7-9-18)14-23-13-12-16-4-2-1-3-5-16/h1-11,15,23H,12-14H2,(H2,22,25)
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0.440n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 5349-52 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.008
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM60212
PNG
((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1
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0.590n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 5349-52 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.008
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM60212
PNG
((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1
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0.870n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO cells in presence of high sodium by SPA


Bioorg Med Chem Lett 17: 5349-52 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.008
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50219921
PNG
(4-(4-((phenethylamino)methyl)phenoxy)benzamide | C...)
Show SMILES NC(=O)c1ccc(Oc2ccc(CNCCc3ccccc3)cc2)cc1
Show InChI InChI=1S/C22H22N2O2/c23-22(25)19-8-12-21(13-9-19)26-20-10-6-18(7-11-20)16-24-15-14-17-4-2-1-3-5-17/h1-13,24H,14-16H2,(H2,23,25)
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0.920n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 5349-52 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.008
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50219919
PNG
(6-(4-((phenethylamino)methyl)phenoxy)nicotinamide ...)
Show SMILES NC(=O)c1ccc(Oc2ccc(CNCCc3ccccc3)cc2)nc1
Show InChI InChI=1S/C21H21N3O2/c22-21(25)18-8-11-20(24-15-18)26-19-9-6-17(7-10-19)14-23-13-12-16-4-2-1-3-5-16/h1-11,15,23H,12-14H2,(H2,22,25)
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0.970n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 5349-52 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.008
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50219919
PNG
(6-(4-((phenethylamino)methyl)phenoxy)nicotinamide ...)
Show SMILES NC(=O)c1ccc(Oc2ccc(CNCCc3ccccc3)cc2)nc1
Show InChI InChI=1S/C21H21N3O2/c22-21(25)18-8-11-20(24-15-18)26-19-9-6-17(7-10-19)14-23-13-12-16-4-2-1-3-5-16/h1-11,15,23H,12-14H2,(H2,22,25)
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1.20n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 5349-52 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.008
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50219921
PNG
(4-(4-((phenethylamino)methyl)phenoxy)benzamide | C...)
Show SMILES NC(=O)c1ccc(Oc2ccc(CNCCc3ccccc3)cc2)cc1
Show InChI InChI=1S/C22H22N2O2/c23-22(25)19-8-12-21(13-9-19)26-20-10-6-18(7-11-20)16-24-15-14-17-4-2-1-3-5-17/h1-13,24H,14-16H2,(H2,23,25)
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1.20n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 5349-52 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.008
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50045775
PNG
((3R,4R)3-[1-(3-Cyclohexyl-3-hydroxy-propyl)-3,4-di...)
Show SMILES C[C@H]1CN(CC[C@H](O)C2CCCCC2)CC[C@@]1(C)c1cccc(O)c1
Show InChI InChI=1S/C22H35NO2/c1-17-16-23(13-11-21(25)18-7-4-3-5-8-18)14-12-22(17,2)19-9-6-10-20(24)15-19/h6,9-10,15,17-18,21,24-25H,3-5,7-8,11-14,16H2,1-2H3/t17-,21-,22+/m0/s1
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1.20n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 5349-52 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.008
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50219919
PNG
(6-(4-((phenethylamino)methyl)phenoxy)nicotinamide ...)
Show SMILES NC(=O)c1ccc(Oc2ccc(CNCCc3ccccc3)cc2)nc1
Show InChI InChI=1S/C21H21N3O2/c22-21(25)18-8-11-20(24-15-18)26-19-9-6-17(7-10-19)14-23-13-12-16-4-2-1-3-5-16/h1-11,15,23H,12-14H2,(H2,22,25)
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1.20n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]bremazocine from human delta opioid receptor expressed in CHO cells in presence of high sodium by SPA


Bioorg Med Chem Lett 17: 5349-52 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.008
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50219918
PNG
(5-(4-((phenethylamino)methyl)phenoxy)picolinamide ...)
Show SMILES NC(=O)c1ccc(Oc2ccc(CNCCc3ccccc3)cc2)cn1
Show InChI InChI=1S/C21H21N3O2/c22-21(25)20-11-10-19(15-24-20)26-18-8-6-17(7-9-18)14-23-13-12-16-4-2-1-3-5-16/h1-11,15,23H,12-14H2,(H2,22,25)
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1.80n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 5349-52 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.008
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50219921
PNG
(4-(4-((phenethylamino)methyl)phenoxy)benzamide | C...)
Show SMILES NC(=O)c1ccc(Oc2ccc(CNCCc3ccccc3)cc2)cc1
Show InChI InChI=1S/C22H22N2O2/c23-22(25)19-8-12-21(13-9-19)26-20-10-6-18(7-11-20)16-24-15-14-17-4-2-1-3-5-17/h1-13,24H,14-16H2,(H2,23,25)
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1.90n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]bremazocine from human delta opioid receptor expressed in CHO cells in presence of high sodium by SPA


Bioorg Med Chem Lett 17: 5349-52 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.008
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50219925
PNG
(6-(4-(2-(benzylamino)ethyl)phenoxy)nicotinamide | ...)
Show SMILES NC(=O)c1ccc(Oc2ccc(CCNCc3ccccc3)cc2)nc1
Show InChI InChI=1S/C21H21N3O2/c22-21(25)18-8-11-20(24-15-18)26-19-9-6-16(7-10-19)12-13-23-14-17-4-2-1-3-5-17/h1-11,15,23H,12-14H2,(H2,22,25)
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2.30n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 5349-52 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.008
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50219916
PNG
(6-(4-((benzylamino)methyl)phenoxy)nicotinamide | C...)
Show SMILES NC(=O)c1ccc(Oc2ccc(CNCc3ccccc3)cc2)nc1
Show InChI InChI=1S/C20H19N3O2/c21-20(24)17-8-11-19(23-14-17)25-18-9-6-16(7-10-18)13-22-12-15-4-2-1-3-5-15/h1-11,14,22H,12-13H2,(H2,21,24)
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2.5n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 5349-52 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.008
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50219918
PNG
(5-(4-((phenethylamino)methyl)phenoxy)picolinamide ...)
Show SMILES NC(=O)c1ccc(Oc2ccc(CNCCc3ccccc3)cc2)cn1
Show InChI InChI=1S/C21H21N3O2/c22-21(25)20-11-10-19(15-24-20)26-18-8-6-17(7-9-18)14-23-13-12-16-4-2-1-3-5-16/h1-11,15,23H,12-14H2,(H2,22,25)
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2.90n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 5349-52 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.008
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM60212
PNG
((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1
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3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 5349-52 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.008
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50219916
PNG
(6-(4-((benzylamino)methyl)phenoxy)nicotinamide | C...)
Show SMILES NC(=O)c1ccc(Oc2ccc(CNCc3ccccc3)cc2)nc1
Show InChI InChI=1S/C20H19N3O2/c21-20(24)17-8-11-19(23-14-17)25-18-9-6-16(7-10-18)13-22-12-15-4-2-1-3-5-15/h1-11,14,22H,12-13H2,(H2,21,24)
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4.10n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 5349-52 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.008
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50045775
PNG
((3R,4R)3-[1-(3-Cyclohexyl-3-hydroxy-propyl)-3,4-di...)
Show SMILES C[C@H]1CN(CC[C@H](O)C2CCCCC2)CC[C@@]1(C)c1cccc(O)c1
Show InChI InChI=1S/C22H35NO2/c1-17-16-23(13-11-21(25)18-7-4-3-5-8-18)14-12-22(17,2)19-9-6-10-20(24)15-19/h6,9-10,15,17-18,21,24-25H,3-5,7-8,11-14,16H2,1-2H3/t17-,21-,22+/m0/s1
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4.70n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells in presence of high sodium by SPA


Bioorg Med Chem Lett 17: 5349-52 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.008
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50045775
PNG
((3R,4R)3-[1-(3-Cyclohexyl-3-hydroxy-propyl)-3,4-di...)
Show SMILES C[C@H]1CN(CC[C@H](O)C2CCCCC2)CC[C@@]1(C)c1cccc(O)c1
Show InChI InChI=1S/C22H35NO2/c1-17-16-23(13-11-21(25)18-7-4-3-5-8-18)14-12-22(17,2)19-9-6-10-20(24)15-19/h6,9-10,15,17-18,21,24-25H,3-5,7-8,11-14,16H2,1-2H3/t17-,21-,22+/m0/s1
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4.80n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]bremazocine from human delta opioid receptor expressed in CHO cells in presence of high sodium by SPA


Bioorg Med Chem Lett 17: 5349-52 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.008
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM60212
PNG
((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1
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5.30n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells in presence of high sodium by SPA


Bioorg Med Chem Lett 17: 5349-52 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.008
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50219925
PNG
(6-(4-(2-(benzylamino)ethyl)phenoxy)nicotinamide | ...)
Show SMILES NC(=O)c1ccc(Oc2ccc(CCNCc3ccccc3)cc2)nc1
Show InChI InChI=1S/C21H21N3O2/c22-21(25)18-8-11-20(24-15-18)26-19-9-6-16(7-10-19)12-13-23-14-17-4-2-1-3-5-17/h1-11,15,23H,12-14H2,(H2,22,25)
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7.40n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO cells in presence of high sodium by SPA


Bioorg Med Chem Lett 17: 5349-52 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.008
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50219919
PNG
(6-(4-((phenethylamino)methyl)phenoxy)nicotinamide ...)
Show SMILES NC(=O)c1ccc(Oc2ccc(CNCCc3ccccc3)cc2)nc1
Show InChI InChI=1S/C21H21N3O2/c22-21(25)18-8-11-20(24-15-18)26-19-9-6-17(7-10-19)14-23-13-12-16-4-2-1-3-5-16/h1-11,15,23H,12-14H2,(H2,22,25)
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8.40n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells in presence of high sodium by SPA


Bioorg Med Chem Lett 17: 5349-52 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.008
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50219918
PNG
(5-(4-((phenethylamino)methyl)phenoxy)picolinamide ...)
Show SMILES NC(=O)c1ccc(Oc2ccc(CNCCc3ccccc3)cc2)cn1
Show InChI InChI=1S/C21H21N3O2/c22-21(25)20-11-10-19(15-24-20)26-18-8-6-17(7-9-18)14-23-13-12-16-4-2-1-3-5-16/h1-11,15,23H,12-14H2,(H2,22,25)
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8.5n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]bremazocine from human delta opioid receptor expressed in CHO cells in presence of high sodium by SPA


Bioorg Med Chem Lett 17: 5349-52 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.008
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50219918
PNG
(5-(4-((phenethylamino)methyl)phenoxy)picolinamide ...)
Show SMILES NC(=O)c1ccc(Oc2ccc(CNCCc3ccccc3)cc2)cn1
Show InChI InChI=1S/C21H21N3O2/c22-21(25)20-11-10-19(15-24-20)26-18-8-6-17(7-9-18)14-23-13-12-16-4-2-1-3-5-16/h1-11,15,23H,12-14H2,(H2,22,25)
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9.60n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 5349-52 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.008
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM60212
PNG
((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1
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11n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 5349-52 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.008
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50219921
PNG
(4-(4-((phenethylamino)methyl)phenoxy)benzamide | C...)
Show SMILES NC(=O)c1ccc(Oc2ccc(CNCCc3ccccc3)cc2)cc1
Show InChI InChI=1S/C22H22N2O2/c23-22(25)19-8-12-21(13-9-19)26-20-10-6-18(7-11-20)16-24-15-14-17-4-2-1-3-5-17/h1-13,24H,14-16H2,(H2,23,25)
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15n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells in presence of high sodium by SPA


Bioorg Med Chem Lett 17: 5349-52 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.008
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM60212
PNG
((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1
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16n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]bremazocine from human delta opioid receptor expressed in CHO cells in presence of high sodium by SPA


Bioorg Med Chem Lett 17: 5349-52 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.008
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50219915
PNG
(6-(4-(2-(phenethylamino)ethyl)phenoxy)nicotinamide...)
Show SMILES NC(=O)c1ccc(Oc2ccc(CCNCCc3ccccc3)cc2)nc1
Show InChI InChI=1S/C22H23N3O2/c23-22(26)19-8-11-21(25-16-19)27-20-9-6-18(7-10-20)13-15-24-14-12-17-4-2-1-3-5-17/h1-11,16,24H,12-15H2,(H2,23,26)
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17n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 5349-52 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.008
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50219911
PNG
(6-(4-(2-(3-phenylpropylamino)ethyl)phenoxy)nicotin...)
Show SMILES NC(=O)c1ccc(Oc2ccc(CCNCCCc3ccccc3)cc2)nc1
Show InChI InChI=1S/C23H25N3O2/c24-23(27)20-10-13-22(26-17-20)28-21-11-8-19(9-12-21)14-16-25-15-4-7-18-5-2-1-3-6-18/h1-3,5-6,8-13,17,25H,4,7,14-16H2,(H2,24,27)
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18n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 5349-52 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.008
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50219925
PNG
(6-(4-(2-(benzylamino)ethyl)phenoxy)nicotinamide | ...)
Show SMILES NC(=O)c1ccc(Oc2ccc(CCNCc3ccccc3)cc2)nc1
Show InChI InChI=1S/C21H21N3O2/c22-21(25)18-8-11-20(24-15-18)26-19-9-6-16(7-10-19)12-13-23-14-17-4-2-1-3-5-17/h1-11,15,23H,12-14H2,(H2,22,25)
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18n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 5349-52 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.008
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50219924
PNG
(6-[4-(phenethylamino-methyl)-phenoxy]-nicotinamidi...)
Show SMILES NC(=N)c1ccc(Oc2ccc(CNCCc3ccccc3)cc2)nc1
Show InChI InChI=1S/C21H22N4O/c22-21(23)18-8-11-20(25-15-18)26-19-9-6-17(7-10-19)14-24-13-12-16-4-2-1-3-5-16/h1-11,15,24H,12-14H2,(H3,22,23)
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21n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 5349-52 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.008
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50219917
PNG
(6-(4-(3-(benzylamino)propyl)phenoxy)nicotinamide |...)
Show SMILES NC(=O)c1ccc(Oc2ccc(CCCNCc3ccccc3)cc2)nc1
Show InChI InChI=1S/C22H23N3O2/c23-22(26)19-10-13-21(25-16-19)27-20-11-8-17(9-12-20)7-4-14-24-15-18-5-2-1-3-6-18/h1-3,5-6,8-13,16,24H,4,7,14-15H2,(H2,23,26)
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22n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 5349-52 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.008
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50219915
PNG
(6-(4-(2-(phenethylamino)ethyl)phenoxy)nicotinamide...)
Show SMILES NC(=O)c1ccc(Oc2ccc(CCNCCc3ccccc3)cc2)nc1
Show InChI InChI=1S/C22H23N3O2/c23-22(26)19-8-11-21(25-16-19)27-20-9-6-18(7-10-20)13-15-24-14-12-17-4-2-1-3-5-17/h1-11,16,24H,12-15H2,(H2,23,26)
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23n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 5349-52 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.008
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50219925
PNG
(6-(4-(2-(benzylamino)ethyl)phenoxy)nicotinamide | ...)
Show SMILES NC(=O)c1ccc(Oc2ccc(CCNCc3ccccc3)cc2)nc1
Show InChI InChI=1S/C21H21N3O2/c22-21(25)18-8-11-20(24-15-18)26-19-9-6-16(7-10-19)12-13-23-14-17-4-2-1-3-5-17/h1-11,15,23H,12-14H2,(H2,22,25)
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23n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 5349-52 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.008
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50219911
PNG
(6-(4-(2-(3-phenylpropylamino)ethyl)phenoxy)nicotin...)
Show SMILES NC(=O)c1ccc(Oc2ccc(CCNCCCc3ccccc3)cc2)nc1
Show InChI InChI=1S/C23H25N3O2/c24-23(27)20-10-13-22(26-17-20)28-21-11-8-19(9-12-21)14-16-25-15-4-7-18-5-2-1-3-6-18/h1-3,5-6,8-13,17,25H,4,7,14-16H2,(H2,24,27)
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24n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 5349-52 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.008
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50219917
PNG
(6-(4-(3-(benzylamino)propyl)phenoxy)nicotinamide |...)
Show SMILES NC(=O)c1ccc(Oc2ccc(CCCNCc3ccccc3)cc2)nc1
Show InChI InChI=1S/C22H23N3O2/c23-22(26)19-10-13-21(25-16-19)27-20-11-8-17(9-12-20)7-4-14-24-15-18-5-2-1-3-6-18/h1-3,5-6,8-13,16,24H,4,7,14-15H2,(H2,23,26)
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46n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 5349-52 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.008
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50219922
PNG
(CHEMBL396392 | N-methyl-6-(4-((phenethylamino)meth...)
Show SMILES CNC(=O)c1ccc(Oc2ccc(CNCCc3ccccc3)cc2)nc1
Show InChI InChI=1S/C22H23N3O2/c1-23-22(26)19-9-12-21(25-16-19)27-20-10-7-18(8-11-20)15-24-14-13-17-5-3-2-4-6-17/h2-12,16,24H,13-15H2,1H3,(H,23,26)
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52n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 5349-52 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.008
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50219933
PNG
(CHEMBL238305 | N-isopropyl-6-(4-((phenethylamino)m...)
Show SMILES CC(C)NC(=O)c1ccc(Oc2ccc(CNCCc3ccccc3)cc2)nc1
Show InChI InChI=1S/C24H27N3O2/c1-18(2)27-24(28)21-10-13-23(26-17-21)29-22-11-8-20(9-12-22)16-25-15-14-19-6-4-3-5-7-19/h3-13,17-18,25H,14-16H2,1-2H3,(H,27,28)
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52n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 5349-52 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.008
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50219916
PNG
(6-(4-((benzylamino)methyl)phenoxy)nicotinamide | C...)
Show SMILES NC(=O)c1ccc(Oc2ccc(CNCc3ccccc3)cc2)nc1
Show InChI InChI=1S/C20H19N3O2/c21-20(24)17-8-11-19(23-14-17)25-18-9-6-16(7-10-18)13-22-12-15-4-2-1-3-5-15/h1-11,14,22H,12-13H2,(H2,21,24)
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54n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 5349-52 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.008
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50219930
PNG
(CHEMBL238283 | N-ethyl-6-(4-((phenethylamino)methy...)
Show SMILES CCNC(=O)c1ccc(Oc2ccc(CNCCc3ccccc3)cc2)nc1
Show InChI InChI=1S/C23H25N3O2/c1-2-25-23(27)20-10-13-22(26-17-20)28-21-11-8-19(9-12-21)16-24-15-14-18-6-4-3-5-7-18/h3-13,17,24H,2,14-16H2,1H3,(H,25,27)
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57n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 5349-52 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.008
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50219918
PNG
(5-(4-((phenethylamino)methyl)phenoxy)picolinamide ...)
Show SMILES NC(=O)c1ccc(Oc2ccc(CNCCc3ccccc3)cc2)cn1
Show InChI InChI=1S/C21H21N3O2/c22-21(25)20-11-10-19(15-24-20)26-18-8-6-17(7-9-18)14-23-13-12-16-4-2-1-3-5-16/h1-11,15,23H,12-14H2,(H2,22,25)
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69n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells in presence of high sodium by SPA


Bioorg Med Chem Lett 17: 5349-52 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.008
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50219925
PNG
(6-(4-(2-(benzylamino)ethyl)phenoxy)nicotinamide | ...)
Show SMILES NC(=O)c1ccc(Oc2ccc(CCNCc3ccccc3)cc2)nc1
Show InChI InChI=1S/C21H21N3O2/c22-21(25)18-8-11-20(24-15-18)26-19-9-6-16(7-10-19)12-13-23-14-17-4-2-1-3-5-17/h1-11,15,23H,12-14H2,(H2,22,25)
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70n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]bremazocine from human delta opioid receptor expressed in CHO cells in presence of high sodium by SPA


Bioorg Med Chem Lett 17: 5349-52 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.008
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50219915
PNG
(6-(4-(2-(phenethylamino)ethyl)phenoxy)nicotinamide...)
Show SMILES NC(=O)c1ccc(Oc2ccc(CCNCCc3ccccc3)cc2)nc1
Show InChI InChI=1S/C22H23N3O2/c23-22(26)19-8-11-21(25-16-19)27-20-9-6-18(7-10-20)13-15-24-14-12-17-4-2-1-3-5-17/h1-11,16,24H,12-15H2,(H2,23,26)
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128n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 5349-52 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.008
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50219925
PNG
(6-(4-(2-(benzylamino)ethyl)phenoxy)nicotinamide | ...)
Show SMILES NC(=O)c1ccc(Oc2ccc(CCNCc3ccccc3)cc2)nc1
Show InChI InChI=1S/C21H21N3O2/c22-21(25)18-8-11-20(24-15-18)26-19-9-6-16(7-10-19)12-13-23-14-17-4-2-1-3-5-17/h1-11,15,23H,12-14H2,(H2,22,25)
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136n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells in presence of high sodium by SPA


Bioorg Med Chem Lett 17: 5349-52 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.008
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50219911
PNG
(6-(4-(2-(3-phenylpropylamino)ethyl)phenoxy)nicotin...)
Show SMILES NC(=O)c1ccc(Oc2ccc(CCNCCCc3ccccc3)cc2)nc1
Show InChI InChI=1S/C23H25N3O2/c24-23(27)20-10-13-22(26-17-20)28-21-11-8-19(9-12-21)14-16-25-15-4-7-18-5-2-1-3-6-18/h1-3,5-6,8-13,17,25H,4,7,14-16H2,(H2,24,27)
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212n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 5349-52 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.008
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50219924
PNG
(6-[4-(phenethylamino-methyl)-phenoxy]-nicotinamidi...)
Show SMILES NC(=N)c1ccc(Oc2ccc(CNCCc3ccccc3)cc2)nc1
Show InChI InChI=1S/C21H22N4O/c22-21(23)18-8-11-20(25-15-18)26-19-9-6-17(7-10-19)14-24-13-12-16-4-2-1-3-5-16/h1-11,15,24H,12-14H2,(H3,22,23)
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215n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]bremazocine from human delta opioid receptor expressed in CHO cells in presence of high sodium by SPA


Bioorg Med Chem Lett 17: 5349-52 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.008
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50219928
PNG
(CHEMBL238282 | N-methyl-6-[4-(phenethylamino-methy...)
Show SMILES CN=C(N)c1ccc(Oc2ccc(CNCCc3ccccc3)cc2)nc1 |w:1.0|
Show InChI InChI=1S/C22H24N4O/c1-24-22(23)19-9-12-21(26-16-19)27-20-10-7-18(8-11-20)15-25-14-13-17-5-3-2-4-6-17/h2-12,16,25H,13-15H2,1H3,(H2,23,24)
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235n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 5349-52 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.008
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50219914
PNG
((6-(4-((phenethylamino)methyl)phenoxy)pyridin-3-yl...)
Show SMILES O=C(N1CCCCC1)c1ccc(Oc2ccc(CNCCc3ccccc3)cc2)nc1
Show InChI InChI=1S/C26H29N3O2/c30-26(29-17-5-2-6-18-29)23-11-14-25(28-20-23)31-24-12-9-22(10-13-24)19-27-16-15-21-7-3-1-4-8-21/h1,3-4,7-14,20,27H,2,5-6,15-19H2
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389n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 5349-52 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.008
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50219917
PNG
(6-(4-(3-(benzylamino)propyl)phenoxy)nicotinamide |...)
Show SMILES NC(=O)c1ccc(Oc2ccc(CCCNCc3ccccc3)cc2)nc1
Show InChI InChI=1S/C22H23N3O2/c23-22(26)19-10-13-21(25-16-19)27-20-11-8-17(9-12-20)7-4-14-24-15-18-5-2-1-3-6-18/h1-3,5-6,8-13,16,24H,4,7,14-15H2,(H2,23,26)
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496n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 5349-52 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.008
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50219927
PNG
(6-(4-(2-(benzylamino)ethyl)phenoxy)picolinamide | ...)
Show SMILES NC(=O)c1cccc(Oc2ccc(CCNCc3ccccc3)cc2)n1
Show InChI InChI=1S/C21H21N3O2/c22-21(25)19-7-4-8-20(24-19)26-18-11-9-16(10-12-18)13-14-23-15-17-5-2-1-3-6-17/h1-12,23H,13-15H2,(H2,22,25)
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643n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 5349-52 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.008
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50219930
PNG
(CHEMBL238283 | N-ethyl-6-(4-((phenethylamino)methy...)
Show SMILES CCNC(=O)c1ccc(Oc2ccc(CNCCc3ccccc3)cc2)nc1
Show InChI InChI=1S/C23H25N3O2/c1-2-25-23(27)20-10-13-22(26-17-20)28-21-11-8-19(9-12-21)16-24-15-14-18-6-4-3-5-7-18/h3-13,17,24H,2,14-16H2,1H3,(H,25,27)
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674n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]bremazocine from human delta opioid receptor expressed in CHO cells in presence of high sodium by SPA


Bioorg Med Chem Lett 17: 5349-52 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.008
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50219922
PNG
(CHEMBL396392 | N-methyl-6-(4-((phenethylamino)meth...)
Show SMILES CNC(=O)c1ccc(Oc2ccc(CNCCc3ccccc3)cc2)nc1
Show InChI InChI=1S/C22H23N3O2/c1-23-22(26)19-9-12-21(25-16-19)27-20-10-7-18(8-11-20)15-24-14-13-17-5-3-2-4-6-17/h2-12,16,24H,13-15H2,1H3,(H,23,26)
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718n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]bremazocine from human delta opioid receptor expressed in CHO cells in presence of high sodium by SPA


Bioorg Med Chem Lett 17: 5349-52 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.008
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50219920
PNG
(6-(4-(3-phenylpropylamino)phenoxy)nicotinamide | C...)
Show SMILES NC(=O)c1ccc(Oc2ccc(NCCCc3ccccc3)cc2)nc1
Show InChI InChI=1S/C21H21N3O2/c22-21(25)17-8-13-20(24-15-17)26-19-11-9-18(10-12-19)23-14-4-7-16-5-2-1-3-6-16/h1-3,5-6,8-13,15,23H,4,7,14H2,(H2,22,25)
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>1.00E+3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 5349-52 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.008
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50219926
PNG
(6-(4-(3-(phenylamino)propyl)phenoxy)nicotinamide |...)
Show SMILES NC(=O)c1ccc(Oc2ccc(CCCNc3ccccc3)cc2)nc1
Show InChI InChI=1S/C21H21N3O2/c22-21(25)17-10-13-20(24-15-17)26-19-11-8-16(9-12-19)5-4-14-23-18-6-2-1-3-7-18/h1-3,6-13,15,23H,4-5,14H2,(H2,22,25)
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>1.00E+3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 5349-52 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.008
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50219926
PNG
(6-(4-(3-(phenylamino)propyl)phenoxy)nicotinamide |...)
Show SMILES NC(=O)c1ccc(Oc2ccc(CCCNc3ccccc3)cc2)nc1
Show InChI InChI=1S/C21H21N3O2/c22-21(25)17-10-13-20(24-15-17)26-19-11-8-16(9-12-19)5-4-14-23-18-6-2-1-3-7-18/h1-3,6-13,15,23H,4-5,14H2,(H2,22,25)
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>1.00E+3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 5349-52 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.008
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50219926
PNG
(6-(4-(3-(phenylamino)propyl)phenoxy)nicotinamide |...)
Show SMILES NC(=O)c1ccc(Oc2ccc(CCCNc3ccccc3)cc2)nc1
Show InChI InChI=1S/C21H21N3O2/c22-21(25)17-10-13-20(24-15-17)26-19-11-8-16(9-12-19)5-4-14-23-18-6-2-1-3-7-18/h1-3,6-13,15,23H,4-5,14H2,(H2,22,25)
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>1.00E+3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 5349-52 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.008
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50219920
PNG
(6-(4-(3-phenylpropylamino)phenoxy)nicotinamide | C...)
Show SMILES NC(=O)c1ccc(Oc2ccc(NCCCc3ccccc3)cc2)nc1
Show InChI InChI=1S/C21H21N3O2/c22-21(25)17-8-13-20(24-15-17)26-19-11-9-18(10-12-19)23-14-4-7-16-5-2-1-3-6-16/h1-3,5-6,8-13,15,23H,4,7,14H2,(H2,22,25)
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Lilly Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 5349-52 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.008
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50219920
PNG
(6-(4-(3-phenylpropylamino)phenoxy)nicotinamide | C...)
Show SMILES NC(=O)c1ccc(Oc2ccc(NCCCc3ccccc3)cc2)nc1
Show InChI InChI=1S/C21H21N3O2/c22-21(25)17-8-13-20(24-15-17)26-19-11-9-18(10-12-19)23-14-4-7-16-5-2-1-3-6-16/h1-3,5-6,8-13,15,23H,4,7,14H2,(H2,22,25)
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Lilly Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 5349-52 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.008
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50219931
PNG
(6-(4-(2-(benzylamino)ethyl)phenoxy)nicotinonitrile...)
Show SMILES N#Cc1ccc(Oc2ccc(CCNCc3ccccc3)cc2)nc1
Show InChI InChI=1S/C21H19N3O/c22-14-19-8-11-21(24-16-19)25-20-9-6-17(7-10-20)12-13-23-15-18-4-2-1-3-5-18/h1-11,16,23H,12-13,15H2
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1.08E+3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 5349-52 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.008
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50219924
PNG
(6-[4-(phenethylamino-methyl)-phenoxy]-nicotinamidi...)
Show SMILES NC(=N)c1ccc(Oc2ccc(CNCCc3ccccc3)cc2)nc1
Show InChI InChI=1S/C21H22N4O/c22-21(23)18-8-11-20(25-15-18)26-19-9-6-17(7-10-19)14-24-13-12-16-4-2-1-3-5-16/h1-11,15,24H,12-14H2,(H3,22,23)
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1.15E+3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells in presence of high sodium by SPA


Bioorg Med Chem Lett 17: 5349-52 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.008
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50219933
PNG
(CHEMBL238305 | N-isopropyl-6-(4-((phenethylamino)m...)
Show SMILES CC(C)NC(=O)c1ccc(Oc2ccc(CNCCc3ccccc3)cc2)nc1
Show InChI InChI=1S/C24H27N3O2/c1-18(2)27-24(28)21-10-13-23(26-17-21)29-22-11-8-20(9-12-22)16-25-15-14-19-6-4-3-5-7-19/h3-13,17-18,25H,14-16H2,1-2H3,(H,27,28)
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2.41E+3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]bremazocine from human delta opioid receptor expressed in CHO cells in presence of high sodium by SPA


Bioorg Med Chem Lett 17: 5349-52 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.008
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50219929
PNG
(6-(4-(2-(benzylamino)ethyl)phenoxy)nicotinic acid ...)
Show SMILES OC(=O)c1ccc(Oc2ccc(CCNCc3ccccc3)cc2)nc1
Show InChI InChI=1S/C21H20N2O3/c24-21(25)18-8-11-20(23-15-18)26-19-9-6-16(7-10-19)12-13-22-14-17-4-2-1-3-5-17/h1-11,15,22H,12-14H2,(H,24,25)
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>2.50E+3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 5349-52 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.008
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50219912
PNG
(2-(4-(2-(benzylamino)ethyl)phenoxy)nicotinamide | ...)
Show SMILES NC(=O)c1cccnc1Oc1ccc(CCNCc2ccccc2)cc1
Show InChI InChI=1S/C21H21N3O2/c22-20(25)19-7-4-13-24-21(19)26-18-10-8-16(9-11-18)12-14-23-15-17-5-2-1-3-6-17/h1-11,13,23H,12,14-15H2,(H2,22,25)
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Lilly Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 5349-52 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.008
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50219913
PNG
(6-(4-((phenethylamino)methyl)phenoxy)pyridine-3-su...)
Show SMILES NS(=O)(=O)c1ccc(Oc2ccc(CNCCc3ccccc3)cc2)nc1
Show InChI InChI=1S/C20H21N3O3S/c21-27(24,25)19-10-11-20(23-15-19)26-18-8-6-17(7-9-18)14-22-13-12-16-4-2-1-3-5-16/h1-11,15,22H,12-14H2,(H2,21,24,25)
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Lilly Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 5349-52 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.008
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50219923
PNG
(2-(4-(2-(benzylamino)ethyl)phenoxy)isonicotinamide...)
Show SMILES NC(=O)c1ccnc(Oc2ccc(CCNCc3ccccc3)cc2)c1
Show InChI InChI=1S/C21H21N3O2/c22-21(25)18-11-13-24-20(14-18)26-19-8-6-16(7-9-19)10-12-23-15-17-4-2-1-3-5-17/h1-9,11,13-14,23H,10,12,15H2,(H2,22,25)
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>2.50E+3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 5349-52 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.008
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50219932
PNG
(2-(4-(5-(aminomethyl)pyridin-2-yloxy)phenyl)-N-ben...)
Show SMILES NCc1ccc(Oc2ccc(CCNCc3ccccc3)cc2)nc1
Show InChI InChI=1S/C21H23N3O/c22-14-19-8-11-21(24-16-19)25-20-9-6-17(7-10-20)12-13-23-15-18-4-2-1-3-5-18/h1-11,16,23H,12-15,22H2
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Lilly Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 5349-52 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.008
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50219930
PNG
(CHEMBL238283 | N-ethyl-6-(4-((phenethylamino)methy...)
Show SMILES CCNC(=O)c1ccc(Oc2ccc(CNCCc3ccccc3)cc2)nc1
Show InChI InChI=1S/C23H25N3O2/c1-2-25-23(27)20-10-13-22(26-17-20)28-21-11-8-19(9-12-21)16-24-15-14-18-6-4-3-5-7-18/h3-13,17,24H,2,14-16H2,1H3,(H,25,27)
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2.81E+3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells in presence of high sodium by SPA


Bioorg Med Chem Lett 17: 5349-52 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.008
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50219928
PNG
(CHEMBL238282 | N-methyl-6-[4-(phenethylamino-methy...)
Show SMILES CN=C(N)c1ccc(Oc2ccc(CNCCc3ccccc3)cc2)nc1 |w:1.0|
Show InChI InChI=1S/C22H24N4O/c1-24-22(23)19-9-12-21(26-16-19)27-20-10-7-18(8-11-20)15-25-14-13-17-5-3-2-4-6-17/h2-12,16,25H,13-15H2,1H3,(H2,23,24)
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3.46E+3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]bremazocine from human delta opioid receptor expressed in CHO cells in presence of high sodium by SPA


Bioorg Med Chem Lett 17: 5349-52 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.008
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50219933
PNG
(CHEMBL238305 | N-isopropyl-6-(4-((phenethylamino)m...)
Show SMILES CC(C)NC(=O)c1ccc(Oc2ccc(CNCCc3ccccc3)cc2)nc1
Show InChI InChI=1S/C24H27N3O2/c1-18(2)27-24(28)21-10-13-23(26-17-21)29-22-11-8-20(9-12-22)16-25-15-14-19-6-4-3-5-7-19/h3-13,17-18,25H,14-16H2,1-2H3,(H,27,28)
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>5.00E+3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells in presence of high sodium by SPA


Bioorg Med Chem Lett 17: 5349-52 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.008
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50219927
PNG
(6-(4-(2-(benzylamino)ethyl)phenoxy)picolinamide | ...)
Show SMILES NC(=O)c1cccc(Oc2ccc(CCNCc3ccccc3)cc2)n1
Show InChI InChI=1S/C21H21N3O2/c22-21(25)19-7-4-8-20(24-19)26-18-11-9-16(10-12-18)13-14-23-15-17-5-2-1-3-6-17/h1-12,23H,13-15H2,(H2,22,25)
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>5.00E+3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells in presence of high sodium by SPA


Bioorg Med Chem Lett 17: 5349-52 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.008
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50219932
PNG
(2-(4-(5-(aminomethyl)pyridin-2-yloxy)phenyl)-N-ben...)
Show SMILES NCc1ccc(Oc2ccc(CCNCc3ccccc3)cc2)nc1
Show InChI InChI=1S/C21H23N3O/c22-14-19-8-11-21(24-16-19)25-20-9-6-17(7-10-20)12-13-23-15-18-4-2-1-3-5-18/h1-11,16,23H,12-15,22H2
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]bremazocine from human delta opioid receptor expressed in CHO cells in presence of high sodium by SPA


Bioorg Med Chem Lett 17: 5349-52 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.008
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50219928
PNG
(CHEMBL238282 | N-methyl-6-[4-(phenethylamino-methy...)
Show SMILES CN=C(N)c1ccc(Oc2ccc(CNCCc3ccccc3)cc2)nc1 |w:1.0|
Show InChI InChI=1S/C22H24N4O/c1-24-22(23)19-9-12-21(26-16-19)27-20-10-7-18(8-11-20)15-25-14-13-17-5-3-2-4-6-17/h2-12,16,25H,13-15H2,1H3,(H2,23,24)
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells in presence of high sodium by SPA


Bioorg Med Chem Lett 17: 5349-52 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.008
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50219914
PNG
((6-(4-((phenethylamino)methyl)phenoxy)pyridin-3-yl...)
Show SMILES O=C(N1CCCCC1)c1ccc(Oc2ccc(CNCCc3ccccc3)cc2)nc1
Show InChI InChI=1S/C26H29N3O2/c30-26(29-17-5-2-6-18-29)23-11-14-25(28-20-23)31-24-12-9-22(10-13-24)19-27-16-15-21-7-3-1-4-8-21/h1,3-4,7-14,20,27H,2,5-6,15-19H2
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]bremazocine from human delta opioid receptor expressed in CHO cells in presence of high sodium by SPA


Bioorg Med Chem Lett 17: 5349-52 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.008
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50219912
PNG
(2-(4-(2-(benzylamino)ethyl)phenoxy)nicotinamide | ...)
Show SMILES NC(=O)c1cccnc1Oc1ccc(CCNCc2ccccc2)cc1
Show InChI InChI=1S/C21H21N3O2/c22-20(25)19-7-4-13-24-21(19)26-18-10-8-16(9-11-18)12-14-23-15-17-5-2-1-3-6-17/h1-11,13,23H,12,14-15H2,(H2,22,25)
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>5.00E+3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]bremazocine from human delta opioid receptor expressed in CHO cells in presence of high sodium by SPA


Bioorg Med Chem Lett 17: 5349-52 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.008
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50219912
PNG
(2-(4-(2-(benzylamino)ethyl)phenoxy)nicotinamide | ...)
Show SMILES NC(=O)c1cccnc1Oc1ccc(CCNCc2ccccc2)cc1
Show InChI InChI=1S/C21H21N3O2/c22-20(25)19-7-4-13-24-21(19)26-18-10-8-16(9-11-18)12-14-23-15-17-5-2-1-3-6-17/h1-11,13,23H,12,14-15H2,(H2,22,25)
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>5.00E+3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells in presence of high sodium by SPA


Bioorg Med Chem Lett 17: 5349-52 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.008
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50219927
PNG
(6-(4-(2-(benzylamino)ethyl)phenoxy)picolinamide | ...)
Show SMILES NC(=O)c1cccc(Oc2ccc(CCNCc3ccccc3)cc2)n1
Show InChI InChI=1S/C21H21N3O2/c22-21(25)19-7-4-8-20(24-19)26-18-11-9-16(10-12-18)13-14-23-15-17-5-2-1-3-6-17/h1-12,23H,13-15H2,(H2,22,25)
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]bremazocine from human delta opioid receptor expressed in CHO cells in presence of high sodium by SPA


Bioorg Med Chem Lett 17: 5349-52 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.008
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50219913
PNG
(6-(4-((phenethylamino)methyl)phenoxy)pyridine-3-su...)
Show SMILES NS(=O)(=O)c1ccc(Oc2ccc(CNCCc3ccccc3)cc2)nc1
Show InChI InChI=1S/C20H21N3O3S/c21-27(24,25)19-10-11-20(23-15-19)26-18-8-6-17(7-9-18)14-22-13-12-16-4-2-1-3-5-16/h1-11,15,22H,12-14H2,(H2,21,24,25)
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>5.00E+3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells in presence of high sodium by SPA


Bioorg Med Chem Lett 17: 5349-52 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.008
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50219931
PNG
(6-(4-(2-(benzylamino)ethyl)phenoxy)nicotinonitrile...)
Show SMILES N#Cc1ccc(Oc2ccc(CCNCc3ccccc3)cc2)nc1
Show InChI InChI=1S/C21H19N3O/c22-14-19-8-11-21(24-16-19)25-20-9-6-17(7-10-20)12-13-23-15-18-4-2-1-3-5-18/h1-11,16,23H,12-13,15H2
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>5.00E+3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells in presence of high sodium by SPA


Bioorg Med Chem Lett 17: 5349-52 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.008
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50219922
PNG
(CHEMBL396392 | N-methyl-6-(4-((phenethylamino)meth...)
Show SMILES CNC(=O)c1ccc(Oc2ccc(CNCCc3ccccc3)cc2)nc1
Show InChI InChI=1S/C22H23N3O2/c1-23-22(26)19-9-12-21(25-16-19)27-20-10-7-18(8-11-20)15-24-14-13-17-5-3-2-4-6-17/h2-12,16,24H,13-15H2,1H3,(H,23,26)
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells in presence of high sodium by SPA


Bioorg Med Chem Lett 17: 5349-52 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.008
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50219929
PNG
(6-(4-(2-(benzylamino)ethyl)phenoxy)nicotinic acid ...)
Show SMILES OC(=O)c1ccc(Oc2ccc(CCNCc3ccccc3)cc2)nc1
Show InChI InChI=1S/C21H20N2O3/c24-21(25)18-8-11-20(23-15-18)26-19-9-6-16(7-10-19)12-13-22-14-17-4-2-1-3-5-17/h1-11,15,22H,12-14H2,(H,24,25)
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells in presence of high sodium by SPA


Bioorg Med Chem Lett 17: 5349-52 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.008
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50219923
PNG
(2-(4-(2-(benzylamino)ethyl)phenoxy)isonicotinamide...)
Show SMILES NC(=O)c1ccnc(Oc2ccc(CCNCc3ccccc3)cc2)c1
Show InChI InChI=1S/C21H21N3O2/c22-21(25)18-11-13-24-20(14-18)26-19-8-6-16(7-9-19)10-12-23-15-17-4-2-1-3-5-17/h1-9,11,13-14,23H,10,12,15H2,(H2,22,25)
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]bremazocine from human delta opioid receptor expressed in CHO cells in presence of high sodium by SPA


Bioorg Med Chem Lett 17: 5349-52 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.008
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50219913
PNG
(6-(4-((phenethylamino)methyl)phenoxy)pyridine-3-su...)
Show SMILES NS(=O)(=O)c1ccc(Oc2ccc(CNCCc3ccccc3)cc2)nc1
Show InChI InChI=1S/C20H21N3O3S/c21-27(24,25)19-10-11-20(23-15-19)26-18-8-6-17(7-9-18)14-22-13-12-16-4-2-1-3-5-16/h1-11,15,22H,12-14H2,(H2,21,24,25)
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]bremazocine from human delta opioid receptor expressed in CHO cells in presence of high sodium by SPA


Bioorg Med Chem Lett 17: 5349-52 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.008
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50219932
PNG
(2-(4-(5-(aminomethyl)pyridin-2-yloxy)phenyl)-N-ben...)
Show SMILES NCc1ccc(Oc2ccc(CCNCc3ccccc3)cc2)nc1
Show InChI InChI=1S/C21H23N3O/c22-14-19-8-11-21(24-16-19)25-20-9-6-17(7-10-20)12-13-23-15-18-4-2-1-3-5-18/h1-11,16,23H,12-15,22H2
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells in presence of high sodium by SPA


Bioorg Med Chem Lett 17: 5349-52 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.008
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50219914
PNG
((6-(4-((phenethylamino)methyl)phenoxy)pyridin-3-yl...)
Show SMILES O=C(N1CCCCC1)c1ccc(Oc2ccc(CNCCc3ccccc3)cc2)nc1
Show InChI InChI=1S/C26H29N3O2/c30-26(29-17-5-2-6-18-29)23-11-14-25(28-20-23)31-24-12-9-22(10-13-24)19-27-16-15-21-7-3-1-4-8-21/h1,3-4,7-14,20,27H,2,5-6,15-19H2
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells in presence of high sodium by SPA


Bioorg Med Chem Lett 17: 5349-52 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.008
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50219929
PNG
(6-(4-(2-(benzylamino)ethyl)phenoxy)nicotinic acid ...)
Show SMILES OC(=O)c1ccc(Oc2ccc(CCNCc3ccccc3)cc2)nc1
Show InChI InChI=1S/C21H20N2O3/c24-21(25)18-8-11-20(23-15-18)26-19-9-6-16(7-10-19)12-13-22-14-17-4-2-1-3-5-17/h1-11,15,22H,12-14H2,(H,24,25)
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]bremazocine from human delta opioid receptor expressed in CHO cells in presence of high sodium by SPA


Bioorg Med Chem Lett 17: 5349-52 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.008
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50219923
PNG
(2-(4-(2-(benzylamino)ethyl)phenoxy)isonicotinamide...)
Show SMILES NC(=O)c1ccnc(Oc2ccc(CCNCc3ccccc3)cc2)c1
Show InChI InChI=1S/C21H21N3O2/c22-21(25)18-11-13-24-20(14-18)26-19-8-6-16(7-9-19)10-12-23-15-17-4-2-1-3-5-17/h1-9,11,13-14,23H,10,12,15H2,(H2,22,25)
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells in presence of high sodium by SPA


Bioorg Med Chem Lett 17: 5349-52 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.008
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50219931
PNG
(6-(4-(2-(benzylamino)ethyl)phenoxy)nicotinonitrile...)
Show SMILES N#Cc1ccc(Oc2ccc(CCNCc3ccccc3)cc2)nc1
Show InChI InChI=1S/C21H19N3O/c22-14-19-8-11-21(24-16-19)25-20-9-6-17(7-10-20)12-13-23-15-18-4-2-1-3-5-18/h1-11,16,23H,12-13,15H2
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>5.00E+3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]bremazocine from human delta opioid receptor expressed in CHO cells in presence of high sodium by SPA


Bioorg Med Chem Lett 17: 5349-52 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.008
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%