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Compile Data Set for Download or QSAR

Found 107 hits Enz. Inhib. hit(s) with all data for entry = 50014543   
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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50144258
PNG
(4-[(8-Benzo[1,3]dioxol-5-ylmethyl-8-aza-bicyclo[3....)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccc2-[#8]-[#6]-[#8]-c2c1)\c1ccccc1
Show InChI InChI=1S/C33H36N2O3/c1-3-34(4-2)33(36)26-13-11-25(12-14-26)32(24-8-6-5-7-9-24)27-19-28-15-16-29(20-27)35(28)21-23-10-17-30-31(18-23)38-22-37-30/h5-14,17-18,28-29H,3-4,15-16,19-22H2,1-2H3
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0.0100n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for delta opioid receptor


Bioorg Med Chem Lett 14: 2109-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.051
BindingDB Entry DOI: 10.7270/Q25B01X4
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50144236
PNG
(4-[(R)-(S)-8-Aza-bicyclo[3.2.1]oct-(3Z)-ylidene-ph...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(=C1\C[C@@H]2CC[C@H](C1)N2)\c1ccccc1
Show InChI InChI=1S/C25H30N2O/c1-3-27(4-2)25(28)20-12-10-19(11-13-20)24(18-8-6-5-7-9-18)21-16-22-14-15-23(17-21)26-22/h5-13,22-23,26H,3-4,14-17H2,1-2H3/b24-21-/t22-,23+/m0/s1
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0.0230n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for delta opioid receptor


Bioorg Med Chem Lett 14: 2109-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.051
BindingDB Entry DOI: 10.7270/Q25B01X4
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50144229
PNG
(4-{[(1S,5R)-8-Allyl-8-aza-bicyclo[3.2.1]oct-(3Z)-y...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(=C1\C[C@@H]2CC[C@H](C1)N2CC=C)\c1ccccc1 |THB:22:21:14.15.20:17.18|
Show InChI InChI=1S/C28H34N2O/c1-4-18-30-25-16-17-26(30)20-24(19-25)27(21-10-8-7-9-11-21)22-12-14-23(15-13-22)28(31)29(5-2)6-3/h4,7-15,25-26H,1,5-6,16-20H2,2-3H3/b27-24-/t25-,26+/m0/s1
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0.0250n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Effective concentration against stimulation of [35S]-GTP-gammaS, binding in CHO cells transfected with the human opioid receptor delta 1


Bioorg Med Chem Lett 14: 2109-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.051
BindingDB Entry DOI: 10.7270/Q25B01X4
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50144249
PNG
(CHEMBL302801 | N,N-Diethyl-4-{[(1S,5R)-8-phenethyl...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(=C1\C[C@@H]2CC[C@H](C1)N2CCc1ccccc1)\c1ccccc1 |THB:22:21:14.15.20:17.18|
Show InChI InChI=1S/C33H38N2O/c1-3-34(4-2)33(36)28-17-15-27(16-18-28)32(26-13-9-6-10-14-26)29-23-30-19-20-31(24-29)35(30)22-21-25-11-7-5-8-12-25/h5-18,30-31H,3-4,19-24H2,1-2H3/b32-29-/t30-,31+/m0/s1
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0.240n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for delta opioid receptor


Bioorg Med Chem Lett 14: 2109-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.051
BindingDB Entry DOI: 10.7270/Q25B01X4
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50144234
PNG
(4-((R)-(S)-8-Aza-bicyclo[3.2.1]oct-3-yl-phenyl-ami...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1C[C@@H]2CC[C@H](C1)N2)c1ccccc1
Show InChI InChI=1S/C24H31N3O/c1-3-26(4-2)24(28)18-10-14-22(15-11-18)27(21-8-6-5-7-9-21)23-16-19-12-13-20(17-23)25-19/h5-11,14-15,19-20,23,25H,3-4,12-13,16-17H2,1-2H3/t19-,20+,23?
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0.300n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Effective concentration against stimulation of [35S]-GTP-gammaS, binding in CHO cells transfected with the human opioid receptor delta 1


Bioorg Med Chem Lett 14: 2109-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.051
BindingDB Entry DOI: 10.7270/Q25B01X4
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50144246
PNG
(4-{[(1R,5S)-8-Allyl-8-aza-bicyclo[3.2.1]oct-(3E)-y...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(=C1/C[C@@H]2CC[C@H](C1)N2CC=C)\c1ccccc1 |THB:22:21:14.20.15:18.17|
Show InChI InChI=1S/C28H34N2O/c1-4-18-30-25-16-17-26(30)20-24(19-25)27(21-10-8-7-9-11-21)22-12-14-23(15-13-22)28(31)29(5-2)6-3/h4,7-15,25-26H,1,5-6,16-20H2,2-3H3/b27-24-/t25-,26+/m1/s1
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0.320n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for delta opioid receptor


Bioorg Med Chem Lett 14: 2109-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.051
BindingDB Entry DOI: 10.7270/Q25B01X4
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50144233
PNG
(4-[(S)-(R)-8-Aza-bicyclo[3.2.1]oct-(3E)-ylidene-ph...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(=C1/C[C@@H]2CC[C@H](C1)N2)\c1ccccc1
Show InChI InChI=1S/C25H30N2O/c1-3-27(4-2)25(28)20-12-10-19(11-13-20)24(18-8-6-5-7-9-18)21-16-22-14-15-23(17-21)26-22/h5-13,22-23,26H,3-4,14-17H2,1-2H3/b24-21-/t22-,23+/m1/s1
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0.360n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for delta opioid receptor


Bioorg Med Chem Lett 14: 2109-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.051
BindingDB Entry DOI: 10.7270/Q25B01X4
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50144240
PNG
(CHEMBL65151 | N,N-Diethyl-4-{[8-(2-phenoxy-ethyl)-...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-[#6]-[#8]-c1ccccc1)\c1ccccc1
Show InChI InChI=1S/C33H38N2O2/c1-3-34(4-2)33(36)27-17-15-26(16-18-27)32(25-11-7-5-8-12-25)28-23-29-19-20-30(24-28)35(29)21-22-37-31-13-9-6-10-14-31/h5-18,29-30H,3-4,19-24H2,1-2H3
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0.380n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for delta opioid receptor


Bioorg Med Chem Lett 14: 2109-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.051
BindingDB Entry DOI: 10.7270/Q25B01X4
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50144244
PNG
(CHEMBL63571 | N,N-Diethyl-4-[phenyl-(8-propyl-8-az...)
Show SMILES [#6]-[#6]-[#6]-[#7]-1-[#6]-2-[#6]-[#6]-[#6]-1-[#6]\[#6](-[#6]-2)=[#6](\c1ccccc1)-c1ccc(cc1)-[#6](=O)-[#7](-[#6]-[#6])-[#6]-[#6]
Show InChI InChI=1S/C28H36N2O/c1-4-18-30-25-16-17-26(30)20-24(19-25)27(21-10-8-7-9-11-21)22-12-14-23(15-13-22)28(31)29(5-2)6-3/h7-15,25-26H,4-6,16-20H2,1-3H3
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0.390n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for delta opioid receptor


Bioorg Med Chem Lett 14: 2109-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.051
BindingDB Entry DOI: 10.7270/Q25B01X4
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50144247
PNG
(4-[((1S,5R)-8-Allyl-8-aza-bicyclo[3.2.1]oct-3-yl)-...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1C[C@@H]2CC[C@H](C1)N2CC=C)c1ccccc1 |THB:22:21:14.20.15:17.18|
Show InChI InChI=1S/C27H35N3O/c1-4-18-29-24-16-17-25(29)20-26(19-24)30(22-10-8-7-9-11-22)23-14-12-21(13-15-23)27(31)28(5-2)6-3/h4,7-15,24-26H,1,5-6,16-20H2,2-3H3/t24-,25+,26?
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0.5n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Effective concentration against stimulation of [35S]-GTP-gammaS, binding in CHO cells transfected with the human opioid receptor delta 1


Bioorg Med Chem Lett 14: 2109-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.051
BindingDB Entry DOI: 10.7270/Q25B01X4
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50144235
PNG
(CHEMBL63750 | N,N-Diethyl-4-{phenyl-[8-(3-phenyl-p...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-[#6]-[#6]-c1ccccc1)\c1ccccc1
Show InChI InChI=1S/C34H40N2O/c1-3-35(4-2)34(37)29-19-17-28(18-20-29)33(27-15-9-6-10-16-27)30-24-31-21-22-32(25-30)36(31)23-11-14-26-12-7-5-8-13-26/h5-10,12-13,15-20,31-32H,3-4,11,14,21-25H2,1-2H3
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0.560n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for delta opioid receptor


Bioorg Med Chem Lett 14: 2109-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.051
BindingDB Entry DOI: 10.7270/Q25B01X4
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50144245
PNG
(4-[(8-Aza-bicyclo[3.2.1]oct-3-ylidene)-(4-hydroxy-...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2)\c1ccc(-[#8])cc1
Show InChI InChI=1S/C25H30N2O2/c1-3-27(4-2)25(29)19-7-5-17(6-8-19)24(18-9-13-23(28)14-10-18)20-15-21-11-12-22(16-20)26-21/h5-10,13-14,21-22,26,28H,3-4,11-12,15-16H2,1-2H3
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0.580n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for delta opioid receptor


Bioorg Med Chem Lett 14: 2109-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.051
BindingDB Entry DOI: 10.7270/Q25B01X4
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50144243
PNG
(CHEMBL67996 | N,N-Diethyl-4-[(3-hydroxy-phenyl)-(8...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6])\c1cccc(-[#8])c1
Show InChI InChI=1S/C26H32N2O2/c1-4-28(5-2)26(30)19-11-9-18(10-12-19)25(20-7-6-8-24(29)17-20)21-15-22-13-14-23(16-21)27(22)3/h6-12,17,22-23,29H,4-5,13-16H2,1-3H3
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0.600n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for delta opioid receptor


Bioorg Med Chem Lett 14: 2109-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.051
BindingDB Entry DOI: 10.7270/Q25B01X4
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50144255
PNG
(CHEMBL65772 | N,N-Diethyl-4-[(3-methoxy-phenyl)-(8...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-[#6]-c1ccccc1)\c1cccc(-[#8]-[#6])c1
Show InChI InChI=1S/C34H40N2O2/c1-4-35(5-2)34(37)27-16-14-26(15-17-27)33(28-12-9-13-32(24-28)38-3)29-22-30-18-19-31(23-29)36(30)21-20-25-10-7-6-8-11-25/h6-17,24,30-31H,4-5,18-23H2,1-3H3
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1.40n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for delta opioid receptor


Bioorg Med Chem Lett 14: 2109-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.051
BindingDB Entry DOI: 10.7270/Q25B01X4
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50144238
PNG
(4-{[8-(2-Cyclohexyl-ethyl)-8-aza-bicyclo[3.2.1]oct...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-[#6]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)\c1ccccc1
Show InChI InChI=1S/C33H44N2O/c1-3-34(4-2)33(36)28-17-15-27(16-18-28)32(26-13-9-6-10-14-26)29-23-30-19-20-31(24-29)35(30)22-21-25-11-7-5-8-12-25/h6,9-10,13-18,25,30-31H,3-5,7-8,11-12,19-24H2,1-2H3
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1.40n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for delta opioid receptor


Bioorg Med Chem Lett 14: 2109-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.051
BindingDB Entry DOI: 10.7270/Q25B01X4
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50039029
PNG
((+)-4-((alpha R)-((2S,5R)-4-allyl-2,5-dimethylpipe...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(OC)c1 |r|
Show InChI InChI=1S/C28H39N3O2/c1-7-17-30-19-22(5)31(20-21(30)4)27(25-11-10-12-26(18-25)33-6)23-13-15-24(16-14-23)28(32)29(8-2)9-3/h7,10-16,18,21-22,27H,1,8-9,17,19-20H2,2-6H3/t21-,22+,27-/m1/s1
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1.70n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for delta opioid receptor


Bioorg Med Chem Lett 14: 2109-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.051
BindingDB Entry DOI: 10.7270/Q25B01X4
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50144251
PNG
(CHEMBL302121 | N,N-Diethyl-4-[(4-hydroxy-phenyl)-(...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6])\c1ccc(-[#8])cc1
Show InChI InChI=1S/C26H32N2O2/c1-4-28(5-2)26(30)20-8-6-18(7-9-20)25(19-10-14-24(29)15-11-19)21-16-22-12-13-23(17-21)27(22)3/h6-11,14-15,22-23,29H,4-5,12-13,16-17H2,1-3H3
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1.90n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for delta opioid receptor


Bioorg Med Chem Lett 14: 2109-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.051
BindingDB Entry DOI: 10.7270/Q25B01X4
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50144253
PNG
(CHEMBL63400 | N,N-Diethyl-4-({8-[2-(4-fluoro-pheny...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-[#6]-c1ccc(F)cc1)\c1ccccc1
Show InChI InChI=1S/C33H37FN2O/c1-3-35(4-2)33(37)27-14-12-26(13-15-27)32(25-8-6-5-7-9-25)28-22-30-18-19-31(23-28)36(30)21-20-24-10-16-29(34)17-11-24/h5-17,30-31H,3-4,18-23H2,1-2H3
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2.60n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for delta opioid receptor


Bioorg Med Chem Lett 14: 2109-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.051
BindingDB Entry DOI: 10.7270/Q25B01X4
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50452061
PNG
(CHEMBL2112215)
Show SMILES [H][C@]12CC[C@]([H])(C\C(C1)=C(\c1ccccc1)c1ccc(cc1)C(=O)N(CC)CC(C)=C)N2CCc1ccccc1 |r|
Show InChI InChI=1S/C35H40N2O/c1-4-36(25-26(2)3)35(38)30-17-15-29(16-18-30)34(28-13-9-6-10-14-28)31-23-32-19-20-33(24-31)37(32)22-21-27-11-7-5-8-12-27/h5-18,32-33H,2,4,19-25H2,1,3H3/b34-31-/t32-,33+/m0/s1
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2.90n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for delta opioid receptor


Bioorg Med Chem Lett 14: 2109-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.051
BindingDB Entry DOI: 10.7270/Q25B01X4
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50144239
PNG
(CHEMBL67673 | N-Ethyl-N-(2-hydroxy-ethyl)-4-[(8-ph...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6]-[#8])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-[#6]-c1ccccc1)\c1ccccc1
Show InChI InChI=1S/C33H38N2O2/c1-2-34(21-22-36)33(37)28-15-13-27(14-16-28)32(26-11-7-4-8-12-26)29-23-30-17-18-31(24-29)35(30)20-19-25-9-5-3-6-10-25/h3-16,30-31,36H,2,17-24H2,1H3
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3.20n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for delta opioid receptor


Bioorg Med Chem Lett 14: 2109-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.051
BindingDB Entry DOI: 10.7270/Q25B01X4
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50144230
PNG
(CHEMBL67157 | N,N-Diethyl-4-[(4-methoxy-phenyl)-(8...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6])\c1ccc(-[#8]-[#6])cc1
Show InChI InChI=1S/C27H34N2O2/c1-5-29(6-2)27(30)21-9-7-19(8-10-21)26(20-11-15-25(31-4)16-12-20)22-17-23-13-14-24(18-22)28(23)3/h7-12,15-16,23-24H,5-6,13-14,17-18H2,1-4H3
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3.5n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for delta opioid receptor


Bioorg Med Chem Lett 14: 2109-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.051
BindingDB Entry DOI: 10.7270/Q25B01X4
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50144232
PNG
(CHEMBL63213 | N,N-Diethyl-4-({8-[2-(1H-indol-3-yl)...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(=C1CC2CCC(C1)N2CCc1c[nH]c2ccccc12)c1ccccc1 |(18.44,4.67,;17.1,5.44,;15.77,4.66,;15.78,3.12,;17.13,2.36,;14.43,5.43,;14.43,6.97,;13.1,4.64,;11.76,5.41,;10.43,4.62,;10.46,3.1,;11.79,2.33,;13.12,3.1,;9.12,2.33,;9.12,.79,;7.8,,;7.8,-1.54,;8.57,-.44,;9.79,-.44,;10.5,-1.68,;10.47,.02,;9.12,-2.31,;9.12,-3.85,;10.46,-4.62,;10.46,-6.16,;11.71,-7.07,;11.23,-8.53,;9.69,-8.53,;8.66,-9.66,;7.17,-9.35,;6.68,-7.89,;7.73,-6.75,;9.22,-7.07,;7.79,3.08,;7.79,4.61,;6.45,5.38,;5.12,4.61,;5.13,3.05,;6.47,2.3,)|
Show InChI InChI=1S/C35H39N3O/c1-3-37(4-2)35(39)27-16-14-26(15-17-27)34(25-10-6-5-7-11-25)29-22-30-18-19-31(23-29)38(30)21-20-28-24-36-33-13-9-8-12-32(28)33/h5-17,24,30-31,36H,3-4,18-23H2,1-2H3
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3.5n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Effective concentration against stimulation of [35S]-GTP-gammaS, binding in CHO cells transfected with the human opioid receptor delta 1


Bioorg Med Chem Lett 14: 2109-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.051
BindingDB Entry DOI: 10.7270/Q25B01X4
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50144237
PNG
(CHEMBL307775 | N,N-Diethyl-4-{[(1R,5S)-8-methyl-8-...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(=C1/C[C@@H]2CC[C@H](C1)N2C)\c1ccccc1 |THB:22:21:14.20.15:18.17|
Show InChI InChI=1S/C26H32N2O/c1-4-28(5-2)26(29)21-13-11-20(12-14-21)25(19-9-7-6-8-10-19)22-17-23-15-16-24(18-22)27(23)3/h6-14,23-24H,4-5,15-18H2,1-3H3/b25-22-/t23-,24+/m1/s1
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4.5n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for delta opioid receptor


Bioorg Med Chem Lett 14: 2109-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.051
BindingDB Entry DOI: 10.7270/Q25B01X4
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50144250
PNG
(CHEMBL63597 | N,N-Diethyl-4-{[(1S,5R)-8-methyl-8-a...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(=C1\C[C@@H]2CC[C@H](C1)N2C)\c1ccccc1 |THB:22:21:14.15.20:17.18|
Show InChI InChI=1S/C26H32N2O/c1-4-28(5-2)26(29)21-13-11-20(12-14-21)25(19-9-7-6-8-10-19)22-17-23-15-16-24(18-22)27(23)3/h6-14,23-24H,4-5,15-18H2,1-3H3/b25-22-/t23-,24+/m0/s1
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5.70n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Effective concentration against stimulation of [35S]-GTP-gammaS, binding in CHO cells transfected with the human opioid receptor delta 1


Bioorg Med Chem Lett 14: 2109-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.051
BindingDB Entry DOI: 10.7270/Q25B01X4
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50144242
PNG
(CHEMBL307327 | N,N-Diethyl-4-[(3-methoxy-phenyl)-(...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6])\c1cccc(-[#8]-[#6])c1
Show InChI InChI=1S/C27H34N2O2/c1-5-29(6-2)27(30)20-12-10-19(11-13-20)26(21-8-7-9-25(18-21)31-4)22-16-23-14-15-24(17-22)28(23)3/h7-13,18,23-24H,5-6,14-17H2,1-4H3
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5.90n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for delta opioid receptor


Bioorg Med Chem Lett 14: 2109-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.051
BindingDB Entry DOI: 10.7270/Q25B01X4
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50144227
PNG
(CHEMBL66387 | N,N-Diethyl-4-{[8-(2-oxo-2-phenyl-et...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-[#6](=O)-c1ccccc1)\c1ccccc1
Show InChI InChI=1S/C33H36N2O2/c1-3-34(4-2)33(37)27-17-15-26(16-18-27)32(25-13-9-6-10-14-25)28-21-29-19-20-30(22-28)35(29)23-31(36)24-11-7-5-8-12-24/h5-18,29-30H,3-4,19-23H2,1-2H3
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6.30n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Effective concentration against stimulation of [35S]-GTP-gammaS, binding in CHO cells transfected with the human opioid receptor delta 1


Bioorg Med Chem Lett 14: 2109-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.051
BindingDB Entry DOI: 10.7270/Q25B01X4
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50144260
PNG
(4-[(8-Phenethyl-8-aza-bicyclo[3.2.1]oct-3-ylidene)...)
Show SMILES [#6]-[#6]-[#6]-[#7](-[#6]-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-[#6]-c1ccccc1)\c1ccccc1
Show InChI InChI=1S/C35H42N2O/c1-3-22-36(23-4-2)35(38)30-17-15-29(16-18-30)34(28-13-9-6-10-14-28)31-25-32-19-20-33(26-31)37(32)24-21-27-11-7-5-8-12-27/h5-18,32-33H,3-4,19-26H2,1-2H3
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7.40n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for delta opioid receptor


Bioorg Med Chem Lett 14: 2109-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.051
BindingDB Entry DOI: 10.7270/Q25B01X4
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50452062
PNG
(CHEMBL2112214)
Show SMILES [H][C@]12CC[C@]([H])(C\C(C1)=C(\c1ccccc1)c1ccc(cc1)C(=O)N1C(C)CCCC1C)N2CCc1ccccc1 |r|
Show InChI InChI=1S/C36H42N2O/c1-26-10-9-11-27(2)38(26)36(39)31-18-16-30(17-19-31)35(29-14-7-4-8-15-29)32-24-33-20-21-34(25-32)37(33)23-22-28-12-5-3-6-13-28/h3-8,12-19,26-27,33-34H,9-11,20-25H2,1-2H3/b35-32-/t26?,27?,33-,34+/m0/s1
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11n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for delta opioid receptor


Bioorg Med Chem Lett 14: 2109-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.051
BindingDB Entry DOI: 10.7270/Q25B01X4
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50144231
PNG
(CHEMBL66668 | N,N-Diethyl-4-{phenyl-[8-(2-thiophen...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-[#6]-c1cccs1)\c1ccccc1
Show InChI InChI=1S/C31H36N2OS/c1-3-32(4-2)31(34)25-14-12-24(13-15-25)30(23-9-6-5-7-10-23)26-21-27-16-17-28(22-26)33(27)19-18-29-11-8-20-35-29/h5-15,20,27-28H,3-4,16-19,21-22H2,1-2H3
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13n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for delta opioid receptor


Bioorg Med Chem Lett 14: 2109-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.051
BindingDB Entry DOI: 10.7270/Q25B01X4
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50144256
PNG
(CHEMBL67068 | N,N-Bis-(2-methoxy-ethyl)-4-[(8-phen...)
Show SMILES [#6]-[#8]-[#6]-[#6]-[#7](-[#6]-[#6]-[#8]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-[#6]-c1ccccc1)\c1ccccc1
Show InChI InChI=1S/C35H42N2O3/c1-39-23-21-36(22-24-40-2)35(38)30-15-13-29(14-16-30)34(28-11-7-4-8-12-28)31-25-32-17-18-33(26-31)37(32)20-19-27-9-5-3-6-10-27/h3-16,32-33H,17-26H2,1-2H3
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17n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for delta opioid receptor


Bioorg Med Chem Lett 14: 2109-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.051
BindingDB Entry DOI: 10.7270/Q25B01X4
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50144258
PNG
(4-[(8-Benzo[1,3]dioxol-5-ylmethyl-8-aza-bicyclo[3....)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccc2-[#8]-[#6]-[#8]-c2c1)\c1ccccc1
Show InChI InChI=1S/C33H36N2O3/c1-3-34(4-2)33(36)26-13-11-25(12-14-26)32(24-8-6-5-7-9-24)27-19-28-15-16-29(20-27)35(28)21-23-10-17-30-31(18-23)38-22-37-30/h5-14,17-18,28-29H,3-4,15-16,19-22H2,1-2H3
PDB

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22n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for mu opioid receptor


Bioorg Med Chem Lett 14: 2109-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.051
BindingDB Entry DOI: 10.7270/Q25B01X4
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50088709
PNG
(4-[(1-Allyl-piperidin-4-yl)-phenyl-amino]-N,N-diet...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CC=C)CC1)c1ccccc1
Show InChI InChI=1S/C25H33N3O/c1-4-18-26-19-16-24(17-20-26)28(22-10-8-7-9-11-22)23-14-12-21(13-15-23)25(29)27(5-2)6-3/h4,7-15,24H,1,5-6,16-20H2,2-3H3
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24n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for delta opioid receptor


Bioorg Med Chem Lett 14: 2109-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.051
BindingDB Entry DOI: 10.7270/Q25B01X4
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50144248
PNG
(CHEMBL68416 | {4-[(8-Phenethyl-8-aza-bicyclo[3.2.1...)
Show SMILES O=[#6](-[#7]-1-[#6]-[#6]-[#6]-[#6]-1)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-[#6]-c1ccccc1)\c1ccccc1
Show InChI InChI=1S/C33H36N2O/c36-33(34-20-7-8-21-34)28-15-13-27(14-16-28)32(26-11-5-2-6-12-26)29-23-30-17-18-31(24-29)35(30)22-19-25-9-3-1-4-10-25/h1-6,9-16,30-31H,7-8,17-24H2
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24n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for delta opioid receptor


Bioorg Med Chem Lett 14: 2109-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.051
BindingDB Entry DOI: 10.7270/Q25B01X4
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50144257
PNG
(CHEMBL66755 | N,N-Diethyl-4-(phenyl-piperidin-4-yl...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCNCC1)c1ccccc1
Show InChI InChI=1S/C22H29N3O/c1-3-24(4-2)22(26)18-10-12-20(13-11-18)25(19-8-6-5-7-9-19)21-14-16-23-17-15-21/h5-13,21,23H,3-4,14-17H2,1-2H3
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35n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Effective concentration against stimulation of [35S]-GTP-gammaS, binding in CHO cells transfected with the human opioid receptor delta 1


Bioorg Med Chem Lett 14: 2109-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.051
BindingDB Entry DOI: 10.7270/Q25B01X4
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50144241
PNG
(CHEMBL63948 | Morpholin-4-yl-{4-[(8-phenethyl-8-az...)
Show SMILES O=[#6](-[#7]-1-[#6]-[#6]-[#8]-[#6]-[#6]-1)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-[#6]-c1ccccc1)\c1ccccc1
Show InChI InChI=1S/C33H36N2O2/c36-33(34-19-21-37-22-20-34)28-13-11-27(12-14-28)32(26-9-5-2-6-10-26)29-23-30-15-16-31(24-29)35(30)18-17-25-7-3-1-4-8-25/h1-14,30-31H,15-24H2
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35n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for delta opioid receptor


Bioorg Med Chem Lett 14: 2109-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.051
BindingDB Entry DOI: 10.7270/Q25B01X4
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50144252
PNG
(CHEMBL68113 | N,N-Diethyl-4-{[(1R,5S)-8-phenethyl-...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(=C1/C[C@@H]2CC[C@H](C1)N2CCc1ccccc1)\c1ccccc1 |THB:22:21:14.20.15:18.17|
Show InChI InChI=1S/C33H38N2O/c1-3-34(4-2)33(36)28-17-15-27(16-18-28)32(26-13-9-6-10-14-26)29-23-30-19-20-31(24-29)35(30)22-21-25-11-7-5-8-12-25/h5-18,30-31H,3-4,19-24H2,1-2H3/b32-29-/t30-,31+/m1/s1
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42n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for delta opioid receptor


Bioorg Med Chem Lett 14: 2109-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.051
BindingDB Entry DOI: 10.7270/Q25B01X4
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50144254
PNG
(CHEMBL305225 | N,N-Diisopropyl-4-[(8-phenethyl-8-a...)
Show SMILES [#6]-[#6](-[#6])-[#7](-[#6](-[#6])-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-[#6]-c1ccccc1)\c1ccccc1
Show InChI InChI=1S/C35H42N2O/c1-25(2)37(26(3)4)35(38)30-17-15-29(16-18-30)34(28-13-9-6-10-14-28)31-23-32-19-20-33(24-31)36(32)22-21-27-11-7-5-8-12-27/h5-18,25-26,32-33H,19-24H2,1-4H3
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49n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for delta opioid receptor


Bioorg Med Chem Lett 14: 2109-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.051
BindingDB Entry DOI: 10.7270/Q25B01X4
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50144249
PNG
(CHEMBL302801 | N,N-Diethyl-4-{[(1S,5R)-8-phenethyl...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(=C1\C[C@@H]2CC[C@H](C1)N2CCc1ccccc1)\c1ccccc1 |THB:22:21:14.15.20:17.18|
Show InChI InChI=1S/C33H38N2O/c1-3-34(4-2)33(36)28-17-15-27(16-18-28)32(26-13-9-6-10-14-26)29-23-30-19-20-31(24-29)35(30)22-21-25-11-7-5-8-12-25/h5-18,30-31H,3-4,19-24H2,1-2H3/b32-29-/t30-,31+/m0/s1
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72n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for mu opioid receptor


Bioorg Med Chem Lett 14: 2109-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.051
BindingDB Entry DOI: 10.7270/Q25B01X4
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50144254
PNG
(CHEMBL305225 | N,N-Diisopropyl-4-[(8-phenethyl-8-a...)
Show SMILES [#6]-[#6](-[#6])-[#7](-[#6](-[#6])-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-[#6]-c1ccccc1)\c1ccccc1
Show InChI InChI=1S/C35H42N2O/c1-25(2)37(26(3)4)35(38)30-17-15-29(16-18-30)34(28-13-9-6-10-14-28)31-23-32-19-20-33(24-31)36(32)22-21-27-11-7-5-8-12-27/h5-18,25-26,32-33H,19-24H2,1-4H3
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103n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for mu opioid receptor


Bioorg Med Chem Lett 14: 2109-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.051
BindingDB Entry DOI: 10.7270/Q25B01X4
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50144235
PNG
(CHEMBL63750 | N,N-Diethyl-4-{phenyl-[8-(3-phenyl-p...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-[#6]-[#6]-c1ccccc1)\c1ccccc1
Show InChI InChI=1S/C34H40N2O/c1-3-35(4-2)34(37)29-19-17-28(18-20-29)33(27-15-9-6-10-16-27)30-24-31-21-22-32(25-30)36(31)23-11-14-26-12-7-5-8-13-26/h5-10,12-13,15-20,31-32H,3-4,11,14,21-25H2,1-2H3
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104n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for mu opioid receptor


Bioorg Med Chem Lett 14: 2109-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.051
BindingDB Entry DOI: 10.7270/Q25B01X4
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50144251
PNG
(CHEMBL302121 | N,N-Diethyl-4-[(4-hydroxy-phenyl)-(...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6])\c1ccc(-[#8])cc1
Show InChI InChI=1S/C26H32N2O2/c1-4-28(5-2)26(30)20-8-6-18(7-9-20)25(19-10-14-24(29)15-11-19)21-16-22-12-13-23(17-21)27(22)3/h6-11,14-15,22-23,29H,4-5,12-13,16-17H2,1-3H3
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194n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for mu opioid receptor


Bioorg Med Chem Lett 14: 2109-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.051
BindingDB Entry DOI: 10.7270/Q25B01X4
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50452061
PNG
(CHEMBL2112215)
Show SMILES [H][C@]12CC[C@]([H])(C\C(C1)=C(\c1ccccc1)c1ccc(cc1)C(=O)N(CC)CC(C)=C)N2CCc1ccccc1 |r|
Show InChI InChI=1S/C35H40N2O/c1-4-36(25-26(2)3)35(38)30-17-15-29(16-18-30)34(28-13-9-6-10-14-28)31-23-32-19-20-33(24-31)37(32)22-21-27-11-7-5-8-12-27/h5-18,32-33H,2,4,19-25H2,1,3H3/b34-31-/t32-,33+/m0/s1
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229n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for mu opioid receptor


Bioorg Med Chem Lett 14: 2109-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.051
BindingDB Entry DOI: 10.7270/Q25B01X4
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50144241
PNG
(CHEMBL63948 | Morpholin-4-yl-{4-[(8-phenethyl-8-az...)
Show SMILES O=[#6](-[#7]-1-[#6]-[#6]-[#8]-[#6]-[#6]-1)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-[#6]-c1ccccc1)\c1ccccc1
Show InChI InChI=1S/C33H36N2O2/c36-33(34-19-21-37-22-20-34)28-13-11-27(12-14-28)32(26-9-5-2-6-10-26)29-23-30-15-16-31(24-29)35(30)18-17-25-7-3-1-4-8-25/h1-14,30-31H,15-24H2
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237n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for mu opioid receptor


Bioorg Med Chem Lett 14: 2109-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.051
BindingDB Entry DOI: 10.7270/Q25B01X4
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50144248
PNG
(CHEMBL68416 | {4-[(8-Phenethyl-8-aza-bicyclo[3.2.1...)
Show SMILES O=[#6](-[#7]-1-[#6]-[#6]-[#6]-[#6]-1)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-[#6]-c1ccccc1)\c1ccccc1
Show InChI InChI=1S/C33H36N2O/c36-33(34-20-7-8-21-34)28-15-13-27(14-16-28)32(26-11-5-2-6-12-26)29-23-30-17-18-31(24-29)35(30)22-19-25-9-3-1-4-10-25/h1-6,9-16,30-31H,7-8,17-24H2
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276n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for mu opioid receptor


Bioorg Med Chem Lett 14: 2109-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.051
BindingDB Entry DOI: 10.7270/Q25B01X4
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50144244
PNG
(CHEMBL63571 | N,N-Diethyl-4-[phenyl-(8-propyl-8-az...)
Show SMILES [#6]-[#6]-[#6]-[#7]-1-[#6]-2-[#6]-[#6]-[#6]-1-[#6]\[#6](-[#6]-2)=[#6](\c1ccccc1)-c1ccc(cc1)-[#6](=O)-[#7](-[#6]-[#6])-[#6]-[#6]
Show InChI InChI=1S/C28H36N2O/c1-4-18-30-25-16-17-26(30)20-24(19-25)27(21-10-8-7-9-11-21)22-12-14-23(15-13-22)28(31)29(5-2)6-3/h7-15,25-26H,4-6,16-20H2,1-3H3
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289n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for mu opioid receptor


Bioorg Med Chem Lett 14: 2109-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.051
BindingDB Entry DOI: 10.7270/Q25B01X4
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50144239
PNG
(CHEMBL67673 | N-Ethyl-N-(2-hydroxy-ethyl)-4-[(8-ph...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6]-[#8])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-[#6]-c1ccccc1)\c1ccccc1
Show InChI InChI=1S/C33H38N2O2/c1-2-34(21-22-36)33(37)28-15-13-27(14-16-28)32(26-11-7-4-8-12-26)29-23-30-17-18-31(24-29)35(30)20-19-25-9-5-3-6-10-25/h3-16,30-31,36H,2,17-24H2,1H3
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291n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for mu opioid receptor


Bioorg Med Chem Lett 14: 2109-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.051
BindingDB Entry DOI: 10.7270/Q25B01X4
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50144256
PNG
(CHEMBL67068 | N,N-Bis-(2-methoxy-ethyl)-4-[(8-phen...)
Show SMILES [#6]-[#8]-[#6]-[#6]-[#7](-[#6]-[#6]-[#8]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-[#6]-c1ccccc1)\c1ccccc1
Show InChI InChI=1S/C35H42N2O3/c1-39-23-21-36(22-24-40-2)35(38)30-15-13-29(14-16-30)34(28-11-7-4-8-12-28)31-25-32-17-18-33(26-31)37(32)20-19-27-9-5-3-6-10-27/h3-16,32-33H,17-26H2,1-2H3
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294n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for mu opioid receptor


Bioorg Med Chem Lett 14: 2109-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.051
BindingDB Entry DOI: 10.7270/Q25B01X4
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50144252
PNG
(CHEMBL68113 | N,N-Diethyl-4-{[(1R,5S)-8-phenethyl-...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(=C1/C[C@@H]2CC[C@H](C1)N2CCc1ccccc1)\c1ccccc1 |THB:22:21:14.20.15:18.17|
Show InChI InChI=1S/C33H38N2O/c1-3-34(4-2)33(36)28-17-15-27(16-18-28)32(26-13-9-6-10-14-26)29-23-30-19-20-31(24-29)35(30)22-21-25-11-7-5-8-12-25/h5-18,30-31H,3-4,19-24H2,1-2H3/b32-29-/t30-,31+/m1/s1
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317n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for mu opioid receptor


Bioorg Med Chem Lett 14: 2109-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.051
BindingDB Entry DOI: 10.7270/Q25B01X4
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50144229
PNG
(4-{[(1S,5R)-8-Allyl-8-aza-bicyclo[3.2.1]oct-(3Z)-y...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(=C1\C[C@@H]2CC[C@H](C1)N2CC=C)\c1ccccc1 |THB:22:21:14.15.20:17.18|
Show InChI InChI=1S/C28H34N2O/c1-4-18-30-25-16-17-26(30)20-24(19-25)27(21-10-8-7-9-11-21)22-12-14-23(15-13-22)28(31)29(5-2)6-3/h4,7-15,25-26H,1,5-6,16-20H2,2-3H3/b27-24-/t25-,26+/m0/s1
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PubMed
322n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for mu opioid receptor


Bioorg Med Chem Lett 14: 2109-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.051
BindingDB Entry DOI: 10.7270/Q25B01X4
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50144232
PNG
(CHEMBL63213 | N,N-Diethyl-4-({8-[2-(1H-indol-3-yl)...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(=C1CC2CCC(C1)N2CCc1c[nH]c2ccccc12)c1ccccc1 |(18.44,4.67,;17.1,5.44,;15.77,4.66,;15.78,3.12,;17.13,2.36,;14.43,5.43,;14.43,6.97,;13.1,4.64,;11.76,5.41,;10.43,4.62,;10.46,3.1,;11.79,2.33,;13.12,3.1,;9.12,2.33,;9.12,.79,;7.8,,;7.8,-1.54,;8.57,-.44,;9.79,-.44,;10.5,-1.68,;10.47,.02,;9.12,-2.31,;9.12,-3.85,;10.46,-4.62,;10.46,-6.16,;11.71,-7.07,;11.23,-8.53,;9.69,-8.53,;8.66,-9.66,;7.17,-9.35,;6.68,-7.89,;7.73,-6.75,;9.22,-7.07,;7.79,3.08,;7.79,4.61,;6.45,5.38,;5.12,4.61,;5.13,3.05,;6.47,2.3,)|
Show InChI InChI=1S/C35H39N3O/c1-3-37(4-2)35(39)27-16-14-26(15-17-27)34(25-10-6-5-7-11-25)29-22-30-18-19-31(23-29)38(30)21-20-28-24-36-33-13-9-8-12-32(28)33/h5-17,24,30-31,36H,3-4,18-23H2,1-2H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
337n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for mu opioid receptor


Bioorg Med Chem Lett 14: 2109-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.051
BindingDB Entry DOI: 10.7270/Q25B01X4
More data for this
Ligand-Target Pair
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