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19 similar compounds to monomer 50302775

Compile data set for download or QSAR
Wt: 421.5
BDBM50088733
Wt: 435.6
BDBM50098447
Wt: 409.5
BDBM50098448
Wt: 435.6
BDBM50098453
Wt: 449.6
BDBM50098455
Wt: 449.6
BDBM50098456
Wt: 449.6
BDBM50098459
Wt: 489.6
BDBM50302761
Wt: 489.6
BDBM50302762
Wt: 485.6
BDBM50302763
Wt: 485.6
BDBM50302764
Wt: 471.6
BDBM50302765
Wt: 435.6
BDBM50302766
Wt: 381.5
BDBM50302769
Wt: 475.6
BDBM50302771
Displayed 1 to 15 (of 19 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 55 hits for monomerid = 50088733,50098447,50098448,50098453,50098455,50098456,50098459,50302761,50302762,50302763,50302764,50302765,50302766,50302769,50302771   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50302765
PNG
(CHEMBL569755 | N,N-diethyl-4-((3-hydroxyphenyl)(1-...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCc2ccccc2)CC1)c1cccc(O)c1
Show InChI InChI=1S/C30H37N3O2/c1-3-32(4-2)30(35)25-13-15-26(16-14-25)33(28-11-8-12-29(34)23-28)27-18-21-31(22-19-27)20-17-24-9-6-5-7-10-24/h5-16,23,27,34H,3-4,17-22H2,1-2H3
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0.420n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montr£al

Curated by ChEMBL


Assay Description
Displacement of [125I]-[D-Ala2]deltorphin 2 from human cloned delta opioid receptor


Bioorg Med Chem Lett 19: 5994-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.072
BindingDB Entry DOI: 10.7270/Q22J6BX8
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50302763
PNG
(CHEMBL569728 | N,N-diethyl-4-((3-hydroxyphenyl)(1-...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCc2ccc(C)cc2)CC1)c1cccc(O)c1
Show InChI InChI=1S/C31H39N3O2/c1-4-33(5-2)31(36)26-13-15-27(16-14-26)34(29-7-6-8-30(35)23-29)28-18-21-32(22-19-28)20-17-25-11-9-24(3)10-12-25/h6-16,23,28,35H,4-5,17-22H2,1-3H3
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0.640n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montr£al

Curated by ChEMBL


Assay Description
Displacement of [125I]-[D-Ala2]deltorphin 2 from human cloned delta opioid receptor


Bioorg Med Chem Lett 19: 5994-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.072
BindingDB Entry DOI: 10.7270/Q22J6BX8
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50302761
PNG
(CHEMBL569006 | N,N-diethyl-4-((1-(3-fluorophenethy...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCc2cccc(F)c2)CC1)c1cccc(O)c1
Show InChI InChI=1S/C30H36FN3O2/c1-3-33(4-2)30(36)24-11-13-26(14-12-24)34(28-9-6-10-29(35)22-28)27-16-19-32(20-17-27)18-15-23-7-5-8-25(31)21-23/h5-14,21-22,27,35H,3-4,15-20H2,1-2H3
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0.700n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montr£al

Curated by ChEMBL


Assay Description
Displacement of [125I]-[D-Ala2]deltorphin 2 from human cloned delta opioid receptor


Bioorg Med Chem Lett 19: 5994-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.072
BindingDB Entry DOI: 10.7270/Q22J6BX8
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50302762
PNG
(CHEMBL576267 | N,N-diethyl-4-((1-(2-fluorophenethy...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCc2ccccc2F)CC1)c1cccc(O)c1
Show InChI InChI=1S/C30H36FN3O2/c1-3-33(4-2)30(36)24-12-14-25(15-13-24)34(27-9-7-10-28(35)22-27)26-17-20-32(21-18-26)19-16-23-8-5-6-11-29(23)31/h5-15,22,26,35H,3-4,16-21H2,1-2H3
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0.760n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montr£al

Curated by ChEMBL


Assay Description
Displacement of [125I]-[D-Ala2]deltorphin 2 from human cloned delta opioid receptor


Bioorg Med Chem Lett 19: 5994-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.072
BindingDB Entry DOI: 10.7270/Q22J6BX8
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50302766
PNG
(4-((1-(2-cyclopropylethyl)piperidin-4-yl)(3-hydrox...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCC2CC2)CC1)c1cccc(O)c1
Show InChI InChI=1S/C27H37N3O2/c1-3-29(4-2)27(32)22-10-12-23(13-11-22)30(25-6-5-7-26(31)20-25)24-15-18-28(19-16-24)17-14-21-8-9-21/h5-7,10-13,20-21,24,31H,3-4,8-9,14-19H2,1-2H3
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0.970n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montr£al

Curated by ChEMBL


Assay Description
Displacement of [125I]-[D-Ala2]deltorphin 2 from human cloned delta opioid receptor


Bioorg Med Chem Lett 19: 5994-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.072
BindingDB Entry DOI: 10.7270/Q22J6BX8
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50302769
PNG
(CHEMBL571324 | N,N-diethyl-4-((3-hydroxyphenyl)(1-...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(C)CC1)c1cccc(O)c1
Show InChI InChI=1S/C23H31N3O2/c1-4-25(5-2)23(28)18-9-11-19(12-10-18)26(20-13-15-24(3)16-14-20)21-7-6-8-22(27)17-21/h6-12,17,20,27H,4-5,13-16H2,1-3H3
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0.990n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montr£al

Curated by ChEMBL


Assay Description
Displacement of [125I]-[D-Ala2]deltorphin 2 from human cloned delta opioid receptor


Bioorg Med Chem Lett 19: 5994-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.072
BindingDB Entry DOI: 10.7270/Q22J6BX8
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50302764
PNG
(CHEMBL568865 | N,N-diethyl-4-((3-hydroxyphenyl)(1-...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CC(C)c2ccccc2)CC1)c1cccc(O)c1
Show InChI InChI=1/C31H39N3O2/c1-4-33(5-2)31(36)26-14-16-27(17-15-26)34(29-12-9-13-30(35)22-29)28-18-20-32(21-19-28)23-24(3)25-10-7-6-8-11-25/h6-17,22,24,28,35H,4-5,18-21,23H2,1-3H3
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1.40n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montr£al

Curated by ChEMBL


Assay Description
Displacement of [125I]-[D-Ala2]deltorphin 2 from human cloned delta opioid receptor


Bioorg Med Chem Lett 19: 5994-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.072
BindingDB Entry DOI: 10.7270/Q22J6BX8
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50302771
PNG
(CHEMBL569704 | N,N-diethyl-4-((1-(2-(furan-3-yl)et...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCc2ccoc2)CC1)c1cccc(OC)c1
Show InChI InChI=1S/C29H37N3O3/c1-4-31(5-2)29(33)24-9-11-25(12-10-24)32(27-7-6-8-28(21-27)34-3)26-14-18-30(19-15-26)17-13-23-16-20-35-22-23/h6-12,16,20-22,26H,4-5,13-15,17-19H2,1-3H3
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14n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montr£al

Curated by ChEMBL


Assay Description
Displacement of [125I]-[D-Ala2]deltorphin 2 from human cloned delta opioid receptor


Bioorg Med Chem Lett 19: 5994-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.072
BindingDB Entry DOI: 10.7270/Q22J6BX8
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50088733
PNG
(CHEMBL12912 | N,N-Diethyl-4-[(3-methoxy-phenyl)-((...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N([C@H]1C[C@@H]2CC[C@H](C1)N2C)c1cccc(OC)c1
Show InChI InChI=1S/C26H35N3O2/c1-5-28(6-2)26(30)19-10-12-20(13-11-19)29(23-8-7-9-25(18-23)31-4)24-16-21-14-15-22(17-24)27(21)3/h7-13,18,21-22,24H,5-6,14-17H2,1-4H3/t21-,22+,24-
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21n/an/an/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DPDPE radioligand binding to rat opioid receptor delta 1 site from rat brain membranes


Bioorg Med Chem Lett 10: 1109-11 (2000)


Article DOI: 10.1016/s0960-894x(00)00182-7
BindingDB Entry DOI: 10.7270/Q2X0668B
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50098447
PNG
(4-[(1-Allyl-3-methyl-piperidin-4-yl)-(3-methoxy-ph...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N([C@@H]1CCN(CC=C)C[C@@H]1C)c1cccc(OC)c1
Show InChI InChI=1S/C27H37N3O2/c1-6-17-28-18-16-26(21(4)20-28)30(24-10-9-11-25(19-24)32-5)23-14-12-22(13-15-23)27(31)29(7-2)8-3/h6,9-15,19,21,26H,1,7-8,16-18,20H2,2-5H3/t21-,26+/m0/s1
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22n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Affinity of [H]DADLE to the delta opioid receptor from rat brain


J Med Chem 44: 972-87 (2001)


Article DOI: 10.1021/jm000427g
BindingDB Entry DOI: 10.7270/Q2V69K8G
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50098455
PNG
(4-[(1-Cyclopropylmethyl-3-methyl-piperidin-4-yl)-(...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N([C@@H]1CCN(CC2CC2)C[C@@H]1C)c1cccc(OC)c1
Show InChI InChI=1S/C28H39N3O2/c1-5-30(6-2)28(32)23-12-14-24(15-13-23)31(25-8-7-9-26(18-25)33-4)27-16-17-29(19-21(27)3)20-22-10-11-22/h7-9,12-15,18,21-22,27H,5-6,10-11,16-17,19-20H2,1-4H3/t21-,27+/m0/s1
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36n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Affinity of [H]DADLE to the delta opioid receptor from rat brain


J Med Chem 44: 972-87 (2001)


Article DOI: 10.1021/jm000427g
BindingDB Entry DOI: 10.7270/Q2V69K8G
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50302763
PNG
(CHEMBL569728 | N,N-diethyl-4-((3-hydroxyphenyl)(1-...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCc2ccc(C)cc2)CC1)c1cccc(O)c1
Show InChI InChI=1S/C31H39N3O2/c1-4-33(5-2)31(36)26-13-15-27(16-14-26)34(29-7-6-8-30(35)23-29)28-18-21-32(22-19-28)20-17-25-11-9-24(3)10-12-25/h6-16,23,28,35H,4-5,17-22H2,1-3H3
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62n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montr£al

Curated by ChEMBL


Assay Description
Displacement of [125I]FK33824 from human cloned mu opioid receptor


Bioorg Med Chem Lett 19: 5994-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.072
BindingDB Entry DOI: 10.7270/Q22J6BX8
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50098459
PNG
(CHEMBL434685 | N,N-Diethyl-4-{(3-methoxy-phenyl)-[...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N([C@@H]1CCN(CC(C)=C)C[C@@H]1C)c1cccc(OC)c1
Show InChI InChI=1S/C28H39N3O2/c1-7-30(8-2)28(32)23-12-14-24(15-13-23)31(25-10-9-11-26(18-25)33-6)27-16-17-29(19-21(3)4)20-22(27)5/h9-15,18,22,27H,3,7-8,16-17,19-20H2,1-2,4-6H3/t22-,27+/m0/s1
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72n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Affinity of [H]DADLE to the delta opioid receptor from rat brain


J Med Chem 44: 972-87 (2001)


Article DOI: 10.1021/jm000427g
BindingDB Entry DOI: 10.7270/Q2V69K8G
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50302769
PNG
(CHEMBL571324 | N,N-diethyl-4-((3-hydroxyphenyl)(1-...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(C)CC1)c1cccc(O)c1
Show InChI InChI=1S/C23H31N3O2/c1-4-25(5-2)23(28)18-9-11-19(12-10-18)26(20-13-15-24(3)16-14-20)21-7-6-8-22(27)17-21/h6-12,17,20,27H,4-5,13-16H2,1-3H3
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87n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montr£al

Curated by ChEMBL


Assay Description
Displacement of [125I]FK33824 from human cloned mu opioid receptor


Bioorg Med Chem Lett 19: 5994-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.072
BindingDB Entry DOI: 10.7270/Q22J6BX8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50302765
PNG
(CHEMBL569755 | N,N-diethyl-4-((3-hydroxyphenyl)(1-...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCc2ccccc2)CC1)c1cccc(O)c1
Show InChI InChI=1S/C30H37N3O2/c1-3-32(4-2)30(35)25-13-15-26(16-14-25)33(28-11-8-12-29(34)23-28)27-18-21-31(22-19-27)20-17-24-9-6-5-7-10-24/h5-16,23,27,34H,3-4,17-22H2,1-2H3
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88n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montr£al

Curated by ChEMBL


Assay Description
Displacement of [125I]FK33824 from human cloned mu opioid receptor


Bioorg Med Chem Lett 19: 5994-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.072
BindingDB Entry DOI: 10.7270/Q22J6BX8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50302766
PNG
(4-((1-(2-cyclopropylethyl)piperidin-4-yl)(3-hydrox...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCC2CC2)CC1)c1cccc(O)c1
Show InChI InChI=1S/C27H37N3O2/c1-3-29(4-2)27(32)22-10-12-23(13-11-22)30(25-6-5-7-26(31)20-25)24-15-18-28(19-16-24)17-14-21-8-9-21/h5-7,10-13,20-21,24,31H,3-4,8-9,14-19H2,1-2H3
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126n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montr£al

Curated by ChEMBL


Assay Description
Displacement of [125I]FK33824 from human cloned mu opioid receptor


Bioorg Med Chem Lett 19: 5994-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.072
BindingDB Entry DOI: 10.7270/Q22J6BX8
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50098448
PNG
(4-[(1,3-Dimethyl-piperidin-4-yl)-(3-methoxy-phenyl...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(C)C[C@@H]1C)c1cccc(OC)c1
Show InChI InChI=1S/C25H35N3O2/c1-6-27(7-2)25(29)20-11-13-21(14-12-20)28(22-9-8-10-23(17-22)30-5)24-15-16-26(4)18-19(24)3/h8-14,17,19,24H,6-7,15-16,18H2,1-5H3/t19-,24?/m0/s1
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141n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Affinity of [H]DADLE to the delta opioid receptor from rat brain


J Med Chem 44: 972-87 (2001)


Article DOI: 10.1021/jm000427g
BindingDB Entry DOI: 10.7270/Q2V69K8G
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50302762
PNG
(CHEMBL576267 | N,N-diethyl-4-((1-(2-fluorophenethy...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCc2ccccc2F)CC1)c1cccc(O)c1
Show InChI InChI=1S/C30H36FN3O2/c1-3-33(4-2)30(36)24-12-14-25(15-13-24)34(27-9-7-10-28(35)22-27)26-17-20-32(21-18-26)19-16-23-8-5-6-11-29(23)31/h5-15,22,26,35H,3-4,16-21H2,1-2H3
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162n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montr£al

Curated by ChEMBL


Assay Description
Displacement of [125I]FK33824 from human cloned mu opioid receptor


Bioorg Med Chem Lett 19: 5994-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.072
BindingDB Entry DOI: 10.7270/Q22J6BX8
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50098448
PNG
(4-[(1,3-Dimethyl-piperidin-4-yl)-(3-methoxy-phenyl...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(C)C[C@@H]1C)c1cccc(OC)c1
Show InChI InChI=1S/C25H35N3O2/c1-6-27(7-2)25(29)20-11-13-21(14-12-20)28(22-9-8-10-23(17-22)30-5)24-15-16-26(4)18-19(24)3/h8-14,17,19,24H,6-7,15-16,18H2,1-5H3/t19-,24?/m0/s1
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178n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Affinity of [H]DADLE to the delta opioid receptor from rat brain


J Med Chem 44: 972-87 (2001)


Article DOI: 10.1021/jm000427g
BindingDB Entry DOI: 10.7270/Q2V69K8G
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50098456
PNG
(4-[(1-Cyclopropylmethyl-3-methyl-piperidin-4-yl)-(...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N([C@@H]1CCN(CC2CC2)C[C@H]1C)c1cccc(OC)c1
Show InChI InChI=1S/C28H39N3O2/c1-5-30(6-2)28(32)23-12-14-24(15-13-23)31(25-8-7-9-26(18-25)33-4)27-16-17-29(19-21(27)3)20-22-10-11-22/h7-9,12-15,18,21-22,27H,5-6,10-11,16-17,19-20H2,1-4H3/t21-,27-/m1/s1
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230n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Affinity of [H]DADLE to the delta opioid receptor from rat brain


J Med Chem 44: 972-87 (2001)


Article DOI: 10.1021/jm000427g
BindingDB Entry DOI: 10.7270/Q2V69K8G
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50098453
PNG
(4-[(1-Allyl-3-methyl-piperidin-4-yl)-(3-methoxy-ph...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N([C@@H]1CCN(CC=C)C[C@H]1C)c1cccc(OC)c1
Show InChI InChI=1S/C27H37N3O2/c1-6-17-28-18-16-26(21(4)20-28)30(24-10-9-11-25(19-24)32-5)23-14-12-22(13-15-23)27(31)29(7-2)8-3/h6,9-15,19,21,26H,1,7-8,16-18,20H2,2-5H3/t21-,26-/m1/s1
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379n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Affinity of [H]DADLE to the delta opioid receptor from rat brain


J Med Chem 44: 972-87 (2001)


Article DOI: 10.1021/jm000427g
BindingDB Entry DOI: 10.7270/Q2V69K8G
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50302761
PNG
(CHEMBL569006 | N,N-diethyl-4-((1-(3-fluorophenethy...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCc2cccc(F)c2)CC1)c1cccc(O)c1
Show InChI InChI=1S/C30H36FN3O2/c1-3-33(4-2)30(36)24-11-13-26(14-12-24)34(28-9-6-10-29(35)22-28)27-16-19-32(20-17-27)18-15-23-7-5-8-25(31)21-23/h5-14,21-22,27,35H,3-4,15-20H2,1-2H3
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472n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montr£al

Curated by ChEMBL


Assay Description
Displacement of [125I]FK33824 from human cloned mu opioid receptor


Bioorg Med Chem Lett 19: 5994-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.072
BindingDB Entry DOI: 10.7270/Q22J6BX8
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50302766
PNG
(4-((1-(2-cyclopropylethyl)piperidin-4-yl)(3-hydrox...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCC2CC2)CC1)c1cccc(O)c1
Show InChI InChI=1S/C27H37N3O2/c1-3-29(4-2)27(32)22-10-12-23(13-11-22)30(25-6-5-7-26(31)20-25)24-15-18-28(19-16-24)17-14-21-8-9-21/h5-7,10-13,20-21,24,31H,3-4,8-9,14-19H2,1-2H3
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508n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montr£al

Curated by ChEMBL


Assay Description
Displacement of [125I]D-pro10-dynorphin from human cloned kappa opioid receptor


Bioorg Med Chem Lett 19: 5994-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.072
BindingDB Entry DOI: 10.7270/Q22J6BX8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50302764
PNG
(CHEMBL568865 | N,N-diethyl-4-((3-hydroxyphenyl)(1-...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CC(C)c2ccccc2)CC1)c1cccc(O)c1
Show InChI InChI=1/C31H39N3O2/c1-4-33(5-2)31(36)26-14-16-27(17-15-26)34(29-12-9-13-30(35)22-29)28-18-20-32(21-19-28)23-24(3)25-10-7-6-8-11-25/h6-17,22,24,28,35H,4-5,18-21,23H2,1-3H3
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648n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montr£al

Curated by ChEMBL


Assay Description
Displacement of [125I]FK33824 from human cloned mu opioid receptor


Bioorg Med Chem Lett 19: 5994-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.072
BindingDB Entry DOI: 10.7270/Q22J6BX8
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50302763
PNG
(CHEMBL569728 | N,N-diethyl-4-((3-hydroxyphenyl)(1-...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCc2ccc(C)cc2)CC1)c1cccc(O)c1
Show InChI InChI=1S/C31H39N3O2/c1-4-33(5-2)31(36)26-13-15-27(16-14-26)34(29-7-6-8-30(35)23-29)28-18-21-32(22-19-28)20-17-25-11-9-24(3)10-12-25/h6-16,23,28,35H,4-5,17-22H2,1-3H3
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726n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montr£al

Curated by ChEMBL


Assay Description
Displacement of [125I]D-pro10-dynorphin from human cloned kappa opioid receptor


Bioorg Med Chem Lett 19: 5994-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.072
BindingDB Entry DOI: 10.7270/Q22J6BX8
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50302765
PNG
(CHEMBL569755 | N,N-diethyl-4-((3-hydroxyphenyl)(1-...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCc2ccccc2)CC1)c1cccc(O)c1
Show InChI InChI=1S/C30H37N3O2/c1-3-32(4-2)30(35)25-13-15-26(16-14-25)33(28-11-8-12-29(34)23-28)27-18-21-31(22-19-27)20-17-24-9-6-5-7-10-24/h5-16,23,27,34H,3-4,17-22H2,1-2H3
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744n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montr£al

Curated by ChEMBL


Assay Description
Displacement of [125I]D-pro10-dynorphin from human cloned kappa opioid receptor


Bioorg Med Chem Lett 19: 5994-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.072
BindingDB Entry DOI: 10.7270/Q22J6BX8
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50302769
PNG
(CHEMBL571324 | N,N-diethyl-4-((3-hydroxyphenyl)(1-...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(C)CC1)c1cccc(O)c1
Show InChI InChI=1S/C23H31N3O2/c1-4-25(5-2)23(28)18-9-11-19(12-10-18)26(20-13-15-24(3)16-14-20)21-7-6-8-22(27)17-21/h6-12,17,20,27H,4-5,13-16H2,1-3H3
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901n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montr£al

Curated by ChEMBL


Assay Description
Displacement of [125I]D-pro10-dynorphin from human cloned kappa opioid receptor


Bioorg Med Chem Lett 19: 5994-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.072
BindingDB Entry DOI: 10.7270/Q22J6BX8
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50302762
PNG
(CHEMBL576267 | N,N-diethyl-4-((1-(2-fluorophenethy...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCc2ccccc2F)CC1)c1cccc(O)c1
Show InChI InChI=1S/C30H36FN3O2/c1-3-33(4-2)30(36)24-12-14-25(15-13-24)34(27-9-7-10-28(35)22-27)26-17-20-32(21-18-26)19-16-23-8-5-6-11-29(23)31/h5-15,22,26,35H,3-4,16-21H2,1-2H3
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967n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montr£al

Curated by ChEMBL


Assay Description
Displacement of [125I]D-pro10-dynorphin from human cloned kappa opioid receptor


Bioorg Med Chem Lett 19: 5994-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.072
BindingDB Entry DOI: 10.7270/Q22J6BX8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50302771
PNG
(CHEMBL569704 | N,N-diethyl-4-((1-(2-(furan-3-yl)et...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCc2ccoc2)CC1)c1cccc(OC)c1
Show InChI InChI=1S/C29H37N3O3/c1-4-31(5-2)29(33)24-9-11-25(12-10-24)32(27-7-6-8-28(21-27)34-3)26-14-18-30(19-15-26)17-13-23-16-20-35-22-23/h6-12,16,20-22,26H,4-5,13-15,17-19H2,1-3H3
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1.30E+3n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montr£al

Curated by ChEMBL


Assay Description
Displacement of [125I]FK33824 from human cloned mu opioid receptor


Bioorg Med Chem Lett 19: 5994-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.072
BindingDB Entry DOI: 10.7270/Q22J6BX8
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50302761
PNG
(CHEMBL569006 | N,N-diethyl-4-((1-(3-fluorophenethy...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCc2cccc(F)c2)CC1)c1cccc(O)c1
Show InChI InChI=1S/C30H36FN3O2/c1-3-33(4-2)30(36)24-11-13-26(14-12-24)34(28-9-6-10-29(35)22-28)27-16-19-32(20-17-27)18-15-23-7-5-8-25(31)21-23/h5-14,21-22,27,35H,3-4,15-20H2,1-2H3
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1.36E+3n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montr£al

Curated by ChEMBL


Assay Description
Displacement of [125I]D-pro10-dynorphin from human cloned kappa opioid receptor


Bioorg Med Chem Lett 19: 5994-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.072
BindingDB Entry DOI: 10.7270/Q22J6BX8
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50302764
PNG
(CHEMBL568865 | N,N-diethyl-4-((3-hydroxyphenyl)(1-...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CC(C)c2ccccc2)CC1)c1cccc(O)c1
Show InChI InChI=1/C31H39N3O2/c1-4-33(5-2)31(36)26-14-16-27(17-15-26)34(29-12-9-13-30(35)22-29)28-18-20-32(21-19-28)23-24(3)25-10-7-6-8-11-25/h6-17,22,24,28,35H,4-5,18-21,23H2,1-3H3
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2.19E+3n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montr£al

Curated by ChEMBL


Assay Description
Displacement of [125I]D-pro10-dynorphin from human cloned kappa opioid receptor


Bioorg Med Chem Lett 19: 5994-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.072
BindingDB Entry DOI: 10.7270/Q22J6BX8
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50098448
PNG
(4-[(1,3-Dimethyl-piperidin-4-yl)-(3-methoxy-phenyl...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(C)C[C@@H]1C)c1cccc(OC)c1
Show InChI InChI=1S/C25H35N3O2/c1-6-27(7-2)25(29)20-11-13-21(14-12-20)28(22-9-8-10-23(17-22)30-5)24-15-16-26(4)18-19(24)3/h8-14,17,19,24H,6-7,15-16,18H2,1-5H3/t19-,24?/m0/s1
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3.32E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Affinity of [3H]DAMGO to the mu opioid receptor from rat brain


J Med Chem 44: 972-87 (2001)


Article DOI: 10.1021/jm000427g
BindingDB Entry DOI: 10.7270/Q2V69K8G
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50088733
PNG
(CHEMBL12912 | N,N-Diethyl-4-[(3-methoxy-phenyl)-((...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N([C@H]1C[C@@H]2CC[C@H](C1)N2C)c1cccc(OC)c1
Show InChI InChI=1S/C26H35N3O2/c1-5-28(6-2)26(30)19-10-12-20(13-11-19)29(23-8-7-9-25(18-23)31-4)24-16-21-14-15-22(17-24)27(21)3/h7-13,18,21-22,24H,5-6,14-17H2,1-4H3/t21-,22+,24-
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3.70E+3n/an/an/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity of the compound was determined by inhibition of [3H]-DAMGO binding to Opioid receptor mu 1 from rat brain membranes


Bioorg Med Chem Lett 10: 1109-11 (2000)


Article DOI: 10.1016/s0960-894x(00)00182-7
BindingDB Entry DOI: 10.7270/Q2X0668B
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50098453
PNG
(4-[(1-Allyl-3-methyl-piperidin-4-yl)-(3-methoxy-ph...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N([C@@H]1CCN(CC=C)C[C@H]1C)c1cccc(OC)c1
Show InChI InChI=1S/C27H37N3O2/c1-6-17-28-18-16-26(21(4)20-28)30(24-10-9-11-25(19-24)32-5)23-14-12-22(13-15-23)27(31)29(7-2)8-3/h6,9-15,19,21,26H,1,7-8,16-18,20H2,2-5H3/t21-,26-/m1/s1
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4.87E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Affinity of [3H]DAMGO to the mu opioid receptor from rat brain


J Med Chem 44: 972-87 (2001)


Article DOI: 10.1021/jm000427g
BindingDB Entry DOI: 10.7270/Q2V69K8G
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50302771
PNG
(CHEMBL569704 | N,N-diethyl-4-((1-(2-(furan-3-yl)et...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCc2ccoc2)CC1)c1cccc(OC)c1
Show InChI InChI=1S/C29H37N3O3/c1-4-31(5-2)29(33)24-9-11-25(12-10-24)32(27-7-6-8-28(21-27)34-3)26-14-18-30(19-15-26)17-13-23-16-20-35-22-23/h6-12,16,20-22,26H,4-5,13-15,17-19H2,1-3H3
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4.99E+3n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montr£al

Curated by ChEMBL


Assay Description
Displacement of [125I]D-pro10-dynorphin from human cloned kappa opioid receptor


Bioorg Med Chem Lett 19: 5994-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.072
BindingDB Entry DOI: 10.7270/Q22J6BX8
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50098447
PNG
(4-[(1-Allyl-3-methyl-piperidin-4-yl)-(3-methoxy-ph...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N([C@@H]1CCN(CC=C)C[C@@H]1C)c1cccc(OC)c1
Show InChI InChI=1S/C27H37N3O2/c1-6-17-28-18-16-26(21(4)20-28)30(24-10-9-11-25(19-24)32-5)23-14-12-22(13-15-23)27(31)29(7-2)8-3/h6,9-15,19,21,26H,1,7-8,16-18,20H2,2-5H3/t21-,26+/m0/s1
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5.33E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Affinity of [3H]DAMGO to the mu opioid receptor from rat brain


J Med Chem 44: 972-87 (2001)


Article DOI: 10.1021/jm000427g
BindingDB Entry DOI: 10.7270/Q2V69K8G
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50098459
PNG
(CHEMBL434685 | N,N-Diethyl-4-{(3-methoxy-phenyl)-[...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N([C@@H]1CCN(CC(C)=C)C[C@@H]1C)c1cccc(OC)c1
Show InChI InChI=1S/C28H39N3O2/c1-7-30(8-2)28(32)23-12-14-24(15-13-23)31(25-10-9-11-26(18-25)33-6)27-16-17-29(19-21(3)4)20-22(27)5/h9-15,18,22,27H,3,7-8,16-17,19-20H2,1-2,4-6H3/t22-,27+/m0/s1
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5.69E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Affinity of [3H]DAMGO to the mu opioid receptor from rat brain


J Med Chem 44: 972-87 (2001)


Article DOI: 10.1021/jm000427g
BindingDB Entry DOI: 10.7270/Q2V69K8G
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50098448
PNG
(4-[(1,3-Dimethyl-piperidin-4-yl)-(3-methoxy-phenyl...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(C)C[C@@H]1C)c1cccc(OC)c1
Show InChI InChI=1S/C25H35N3O2/c1-6-27(7-2)25(29)20-11-13-21(14-12-20)28(22-9-8-10-23(17-22)30-5)24-15-16-26(4)18-19(24)3/h8-14,17,19,24H,6-7,15-16,18H2,1-5H3/t19-,24?/m0/s1
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>5.92E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Affinity of [3H]DAMGO to the mu opioid receptor from rat brain


J Med Chem 44: 972-87 (2001)


Article DOI: 10.1021/jm000427g
BindingDB Entry DOI: 10.7270/Q2V69K8G
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50098448
PNG
(4-[(1,3-Dimethyl-piperidin-4-yl)-(3-methoxy-phenyl...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(C)C[C@@H]1C)c1cccc(OC)c1
Show InChI InChI=1S/C25H35N3O2/c1-6-27(7-2)25(29)20-11-13-21(14-12-20)28(22-9-8-10-23(17-22)30-5)24-15-16-26(4)18-19(24)3/h8-14,17,19,24H,6-7,15-16,18H2,1-5H3/t19-,24?/m0/s1
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>6.06E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Affinity of [3H]U-69593 to opioid receptor kappa 1 from rat brain


J Med Chem 44: 972-87 (2001)


Article DOI: 10.1021/jm000427g
BindingDB Entry DOI: 10.7270/Q2V69K8G
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50098448
PNG
(4-[(1,3-Dimethyl-piperidin-4-yl)-(3-methoxy-phenyl...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(C)C[C@@H]1C)c1cccc(OC)c1
Show InChI InChI=1S/C25H35N3O2/c1-6-27(7-2)25(29)20-11-13-21(14-12-20)28(22-9-8-10-23(17-22)30-5)24-15-16-26(4)18-19(24)3/h8-14,17,19,24H,6-7,15-16,18H2,1-5H3/t19-,24?/m0/s1
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6.30E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Affinity of [3H]U-69593 to opioid receptor kappa 1 from rat brain


J Med Chem 44: 972-87 (2001)


Article DOI: 10.1021/jm000427g
BindingDB Entry DOI: 10.7270/Q2V69K8G
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50098456
PNG
(4-[(1-Cyclopropylmethyl-3-methyl-piperidin-4-yl)-(...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N([C@@H]1CCN(CC2CC2)C[C@H]1C)c1cccc(OC)c1
Show InChI InChI=1S/C28H39N3O2/c1-5-30(6-2)28(32)23-12-14-24(15-13-23)31(25-8-7-9-26(18-25)33-4)27-16-17-29(19-21(27)3)20-22-10-11-22/h7-9,12-15,18,21-22,27H,5-6,10-11,16-17,19-20H2,1-4H3/t21-,27-/m1/s1
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>6.54E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Affinity of [3H]DAMGO to the mu opioid receptor from rat brain


J Med Chem 44: 972-87 (2001)


Article DOI: 10.1021/jm000427g
BindingDB Entry DOI: 10.7270/Q2V69K8G
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50098455
PNG
(4-[(1-Cyclopropylmethyl-3-methyl-piperidin-4-yl)-(...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N([C@@H]1CCN(CC2CC2)C[C@@H]1C)c1cccc(OC)c1
Show InChI InChI=1S/C28H39N3O2/c1-5-30(6-2)28(32)23-12-14-24(15-13-23)31(25-8-7-9-26(18-25)33-4)27-16-17-29(19-21(27)3)20-22-10-11-22/h7-9,12-15,18,21-22,27H,5-6,10-11,16-17,19-20H2,1-4H3/t21-,27+/m0/s1
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>6.54E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Affinity of [3H]DAMGO to the mu opioid receptor from rat brain


J Med Chem 44: 972-87 (2001)


Article DOI: 10.1021/jm000427g
BindingDB Entry DOI: 10.7270/Q2V69K8G
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50098455
PNG
(4-[(1-Cyclopropylmethyl-3-methyl-piperidin-4-yl)-(...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N([C@@H]1CCN(CC2CC2)C[C@@H]1C)c1cccc(OC)c1
Show InChI InChI=1S/C28H39N3O2/c1-5-30(6-2)28(32)23-12-14-24(15-13-23)31(25-8-7-9-26(18-25)33-4)27-16-17-29(19-21(27)3)20-22-10-11-22/h7-9,12-15,18,21-22,27H,5-6,10-11,16-17,19-20H2,1-4H3/t21-,27+/m0/s1
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>7.46E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Affinity of [3H]U-69593 to opioid receptor kappa 1 from rat brain


J Med Chem 44: 972-87 (2001)


Article DOI: 10.1021/jm000427g
BindingDB Entry DOI: 10.7270/Q2V69K8G
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50098447
PNG
(4-[(1-Allyl-3-methyl-piperidin-4-yl)-(3-methoxy-ph...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N([C@@H]1CCN(CC=C)C[C@@H]1C)c1cccc(OC)c1
Show InChI InChI=1S/C27H37N3O2/c1-6-17-28-18-16-26(21(4)20-28)30(24-10-9-11-25(19-24)32-5)23-14-12-22(13-15-23)27(31)29(7-2)8-3/h6,9-15,19,21,26H,1,7-8,16-18,20H2,2-5H3/t21-,26+/m0/s1
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>7.46E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Affinity of [3H]U-69593 to opioid receptor kappa 1 from rat brain


J Med Chem 44: 972-87 (2001)


Article DOI: 10.1021/jm000427g
BindingDB Entry DOI: 10.7270/Q2V69K8G
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50098459
PNG
(CHEMBL434685 | N,N-Diethyl-4-{(3-methoxy-phenyl)-[...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N([C@@H]1CCN(CC(C)=C)C[C@@H]1C)c1cccc(OC)c1
Show InChI InChI=1S/C28H39N3O2/c1-7-30(8-2)28(32)23-12-14-24(15-13-23)31(25-10-9-11-26(18-25)33-6)27-16-17-29(19-21(3)4)20-22(27)5/h9-15,18,22,27H,3,7-8,16-17,19-20H2,1-2,4-6H3/t22-,27+/m0/s1
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>7.46E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Affinity of [3H]U-69593 to opioid receptor kappa 1 from rat brain


J Med Chem 44: 972-87 (2001)


Article DOI: 10.1021/jm000427g
BindingDB Entry DOI: 10.7270/Q2V69K8G
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50098456
PNG
(4-[(1-Cyclopropylmethyl-3-methyl-piperidin-4-yl)-(...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N([C@@H]1CCN(CC2CC2)C[C@H]1C)c1cccc(OC)c1
Show InChI InChI=1S/C28H39N3O2/c1-5-30(6-2)28(32)23-12-14-24(15-13-23)31(25-8-7-9-26(18-25)33-4)27-16-17-29(19-21(27)3)20-22-10-11-22/h7-9,12-15,18,21-22,27H,5-6,10-11,16-17,19-20H2,1-4H3/t21-,27-/m1/s1
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>7.46E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Affinity of [3H]U-69593 to opioid receptor kappa 1 from rat brain


J Med Chem 44: 972-87 (2001)


Article DOI: 10.1021/jm000427g
BindingDB Entry DOI: 10.7270/Q2V69K8G
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50098453
PNG
(4-[(1-Allyl-3-methyl-piperidin-4-yl)-(3-methoxy-ph...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N([C@@H]1CCN(CC=C)C[C@H]1C)c1cccc(OC)c1
Show InChI InChI=1S/C27H37N3O2/c1-6-17-28-18-16-26(21(4)20-28)30(24-10-9-11-25(19-24)32-5)23-14-12-22(13-15-23)27(31)29(7-2)8-3/h6,9-15,19,21,26H,1,7-8,16-18,20H2,2-5H3/t21-,26-/m1/s1
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>7.46E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Affinity of [3H]U-69593 to opioid receptor kappa 1 from rat brain


J Med Chem 44: 972-87 (2001)


Article DOI: 10.1021/jm000427g
BindingDB Entry DOI: 10.7270/Q2V69K8G
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50302763
PNG
(CHEMBL569728 | N,N-diethyl-4-((3-hydroxyphenyl)(1-...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCc2ccc(C)cc2)CC1)c1cccc(O)c1
Show InChI InChI=1S/C31H39N3O2/c1-4-33(5-2)31(36)26-13-15-27(16-14-26)34(29-7-6-8-30(35)23-29)28-18-21-32(22-19-28)20-17-25-11-9-24(3)10-12-25/h6-16,23,28,35H,4-5,17-22H2,1-3H3
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n/an/an/an/a 1.10n/an/an/an/a



AstraZeneca R&D Montr£al

Curated by ChEMBL


Assay Description
Agonist activity at human delta opioid receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 19: 5994-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.072
BindingDB Entry DOI: 10.7270/Q22J6BX8
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50302765
PNG
(CHEMBL569755 | N,N-diethyl-4-((3-hydroxyphenyl)(1-...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCc2ccccc2)CC1)c1cccc(O)c1
Show InChI InChI=1S/C30H37N3O2/c1-3-32(4-2)30(35)25-13-15-26(16-14-25)33(28-11-8-12-29(34)23-28)27-18-21-31(22-19-27)20-17-24-9-6-5-7-10-24/h5-16,23,27,34H,3-4,17-22H2,1-2H3
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n/an/an/an/a 0.560n/an/an/an/a



AstraZeneca R&D Montr£al

Curated by ChEMBL


Assay Description
Agonist activity at human delta opioid receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 19: 5994-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.072
BindingDB Entry DOI: 10.7270/Q22J6BX8
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50302762
PNG
(CHEMBL576267 | N,N-diethyl-4-((1-(2-fluorophenethy...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCc2ccccc2F)CC1)c1cccc(O)c1
Show InChI InChI=1S/C30H36FN3O2/c1-3-33(4-2)30(36)24-12-14-25(15-13-24)34(27-9-7-10-28(35)22-27)26-17-20-32(21-18-26)19-16-23-8-5-6-11-29(23)31/h5-15,22,26,35H,3-4,16-21H2,1-2H3
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n/an/an/an/a 1.10n/an/an/an/a



AstraZeneca R&D Montr£al

Curated by ChEMBL


Assay Description
Agonist activity at human delta opioid receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 19: 5994-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.072
BindingDB Entry DOI: 10.7270/Q22J6BX8
More data for this
Ligand-Target Pair
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