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Compile Data Set for Download or QSAR

Found 264 hits with Last Name = 'pitis' and Initial = 'pm'   
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
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50144281
PNG
(CHEMBL63309 | N-Methyl-4-[(8-phenethyl-8-aza-bicyc...)
Show SMILES [#6]-[#7]-[#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/C30H32N2O/c1-31-30(33)25-14-12-24(13-15-25)29(23-10-6-3-7-11-23)26-20-27-16-17-28(21-26)32(27)19-18-22-8-4-2-5-9-22/h2-15,27-28H,16-21H2,1H3,(H,31,33)
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 0.140n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards opioid receptor mu 1

Bioorg Med Chem Lett 14: 2113-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.052
BindingDB Entry DOI: 10.7270/Q21J997Q
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50144284
PNG
(CHEMBL68412 | N-Ethyl-4-[(3-hydroxy-phenyl)-(8-thi...)
Show SMILES [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1cccs1)\c1cccc(-[#8])c1
Show InChI InChI=1S/C28H30N2O2S/c1-2-29-28(32)20-10-8-19(9-11-20)27(21-5-3-6-25(31)17-21)22-15-23-12-13-24(16-22)30(23)18-26-7-4-14-33-26/h3-11,14,17,23-24,31H,2,12-13,15-16,18H2,1H3,(H,29,32)
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 0.152n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards opioid receptor delta 1

Bioorg Med Chem Lett 14: 2113-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.052
BindingDB Entry DOI: 10.7270/Q21J997Q
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50155124
PNG
(4-{Bromo-[(1S,5R)-8-furan-3-ylmethyl-8-aza-bicyclo...)
Show SMILES CCNC(=O)c1ccc(cc1)C(\Br)=C1\C[C@@H]2CC[C@H](C1)N2Cc1ccoc1 |THB:21:20:13.14.19:17.16|
Show InChI InChI=1S/C22H25BrN2O2/c1-2-24-22(26)17-5-3-16(4-6-17)21(23)18-11-19-7-8-20(12-18)25(19)13-15-9-10-27-14-15/h3-6,9-10,14,19-20H,2,7-8,11-13H2,1H3,(H,24,26)/b21-18-/t19-,20+/m1/s1
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 0.200n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity against mu opioid receptor in mouse hot plate test

Bioorg Med Chem Lett 14: 5493-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.004
BindingDB Entry DOI: 10.7270/Q2X34WZV
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50144275
PNG
(CHEMBL419621 | N-Ethyl-4-[(3-hydroxy-phenyl)-(8-ph...)
Show SMILES [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-[#6]-c1ccccc1)\c1cccc(-[#8])c1
Show InChI InChI=1S/C31H34N2O2/c1-2-32-31(35)24-13-11-23(12-14-24)30(25-9-6-10-29(34)21-25)26-19-27-15-16-28(20-26)33(27)18-17-22-7-4-3-5-8-22/h3-14,21,27-28,34H,2,15-20H2,1H3,(H,32,35)
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 0.222n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards opioid receptor mu 1

Bioorg Med Chem Lett 14: 2113-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.052
BindingDB Entry DOI: 10.7270/Q21J997Q
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))		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
In vitro binding affinity towards opioid receptor delta 1

Bioorg Med Chem Lett 14: 2113-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.052
BindingDB Entry DOI: 10.7270/Q21J997Q
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50144291
PNG
(CHEMBL67790 | N-Ethyl-4-[(4-hydroxy-phenyl)-(8-thi...)
Show SMILES [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1cccs1)\c1ccc(-[#8])cc1
Show InChI InChI=1S/C28H30N2O2S/c1-2-29-28(32)21-7-5-19(6-8-21)27(20-9-13-25(31)14-10-20)22-16-23-11-12-24(17-22)30(23)18-26-4-3-15-33-26/h3-10,13-15,23-24,31H,2,11-12,16-18H2,1H3,(H,29,32)
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 0.25n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards opioid receptor delta 1

Bioorg Med Chem Lett 14: 2113-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.052
BindingDB Entry DOI: 10.7270/Q21J997Q
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50144276
PNG
(CHEMBL63651 | N-Ethyl-4-{[(1S,5R)-8-phenethyl-8-az...)
Show SMILES CCNC(=O)c1ccc(cc1)C(=C1\C[C@@H]2CC[C@H](C1)N2CCc1ccccc1)\c1ccccc1 |THB:20:19:12.18.13:15.16|
Show InChI InChI=1S/C31H34N2O/c1-2-32-31(34)26-15-13-25(14-16-26)30(24-11-7-4-8-12-24)27-21-28-17-18-29(22-27)33(28)20-19-23-9-5-3-6-10-23/h3-16,28-29H,2,17-22H2,1H3,(H,32,34)/b30-27-/t28-,29+/m0/s1
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 0.260n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards opioid receptor mu 1

Bioorg Med Chem Lett 14: 2113-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.052
BindingDB Entry DOI: 10.7270/Q21J997Q
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50155085
PNG
(CHEMBL362331 | N,N-Diethyl-4-[(8-phenethyl-8-aza-b...)
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)\c1ccccc1
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
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 0.260n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity against mu opioid receptor in mouse hot plate test

Bioorg Med Chem Lett 14: 5493-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.004
BindingDB Entry DOI: 10.7270/Q2X34WZV
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))		BDBM50144282
PNG
(4-[(8-Allyl-8-aza-bicyclo[3.2.1]oct-3-ylidene)-(3-...)
Show SMILES [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-[#6]=[#6])\c1cccc(-[#8])c1
Show InChI InChI=1S/C26H30N2O2/c1-3-14-28-22-12-13-23(28)16-21(15-22)25(20-6-5-7-24(29)17-20)18-8-10-19(11-9-18)26(30)27-4-2/h3,5-11,17,22-23,29H,1,4,12-16H2,2H3,(H,27,30)
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 0.384n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards opioid receptor delta 1

Bioorg Med Chem Lett 14: 2113-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.052
BindingDB Entry DOI: 10.7270/Q21J997Q
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))		BDBM50144273
PNG
(CHEMBL66741 | N-Ethyl-4-[(3-methoxy-phenyl)-(8-thi...)
Show SMILES [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1cccs1)\c1cccc(-[#8]-[#6])c1
Show InChI InChI=1S/C29H32N2O2S/c1-3-30-29(32)21-11-9-20(10-12-21)28(22-6-4-7-26(18-22)33-2)23-16-24-13-14-25(17-23)31(24)19-27-8-5-15-34-27/h4-12,15,18,24-25H,3,13-14,16-17,19H2,1-2H3,(H,30,32)
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 0.510n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards opioid receptor delta 1

Bioorg Med Chem Lett 14: 2113-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.052
BindingDB Entry DOI: 10.7270/Q21J997Q
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
Mu-type opioid receptor


(MOUSE)		BDBM50155068
PNG
(CHEMBL361720 | N-Ethyl-4-[(8-furan-3-ylmethyl-8-az...)
Show SMILES [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccoc1)\c1ccc(-[#8])c(-[#8]-[#6])c1
Show InChI InChI=1S/C29H32N2O4/c1-3-30-29(33)21-6-4-20(5-7-21)28(22-8-11-26(32)27(16-22)34-2)23-14-24-9-10-25(15-23)31(24)17-19-12-13-35-18-19/h4-8,11-13,16,18,24-25,32H,3,9-10,14-15,17H2,1-2H3,(H,30,33)
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 0.590n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity against mu opioid receptor in mouse hot plate test

Bioorg Med Chem Lett 14: 5493-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.004
BindingDB Entry DOI: 10.7270/Q2X34WZV
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
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50144271
PNG
(CHEMBL67289 | N-Ethyl-4-[(3-methoxy-phenyl)-(8-phe...)
Show SMILES [#6]-[#6]-[#7]-[#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/C32H36N2O2/c1-3-33-32(35)25-14-12-24(13-15-25)31(26-10-7-11-30(22-26)36-2)27-20-28-16-17-29(21-27)34(28)19-18-23-8-5-4-6-9-23/h4-15,22,28-29H,3,16-21H2,1-2H3,(H,33,35)
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 0.654n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards opioid receptor mu 1

Bioorg Med Chem Lett 14: 2113-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.052
BindingDB Entry DOI: 10.7270/Q21J997Q
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50144284
PNG
(CHEMBL68412 | N-Ethyl-4-[(3-hydroxy-phenyl)-(8-thi...)
Show SMILES [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1cccs1)\c1cccc(-[#8])c1
Show InChI InChI=1S/C28H30N2O2S/c1-2-29-28(32)20-10-8-19(9-11-20)27(21-5-3-6-25(31)17-21)22-15-23-12-13-24(16-22)30(23)18-26-7-4-14-33-26/h3-11,14,17,23-24,31H,2,12-13,15-16,18H2,1H3,(H,29,32)
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 0.664n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards opioid receptor mu 1

Bioorg Med Chem Lett 14: 2113-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.052
BindingDB Entry DOI: 10.7270/Q21J997Q
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50144293
PNG
(CHEMBL67240 | N-Ethyl-4-{(3-methoxy-phenyl)-[8-(3-...)
Show SMILES [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]\[#6]=[#6](/[#6])-[#6])\c1cccc(-[#8]-[#6])c1
Show InChI InChI=1S/C29H36N2O2/c1-5-30-29(32)22-11-9-21(10-12-22)28(23-7-6-8-27(19-23)33-4)24-17-25-13-14-26(18-24)31(25)16-15-20(2)3/h6-12,15,19,25-26H,5,13-14,16-18H2,1-4H3,(H,30,32)
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 0.720n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards opioid receptor delta 1

Bioorg Med Chem Lett 14: 2113-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.052
BindingDB Entry DOI: 10.7270/Q21J997Q
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50155120
PNG
(4-[(4-Acetylamino-phenyl)-(8-furan-3-ylmethyl-8-az...)
Show SMILES [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccoc1)\c1ccc(-[#7]-[#6](-[#6])=O)cc1
Show InChI InChI=1S/C30H33N3O3/c1-3-31-30(35)24-6-4-22(5-7-24)29(23-8-10-26(11-9-23)32-20(2)34)25-16-27-12-13-28(17-25)33(27)18-21-14-15-36-19-21/h4-11,14-15,19,27-28H,3,12-13,16-18H2,1-2H3,(H,31,35)(H,32,34)
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 0.800n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity against mu opioid receptor in mouse hot plate test

Bioorg Med Chem Lett 14: 5493-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.004
BindingDB Entry DOI: 10.7270/Q2X34WZV
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50155082
PNG
(CHEMBL363287 | N-Ethyl-4-[(8-furan-3-ylmethyl-8-az...)
Show SMILES [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccoc1)\c1cccc(-[#6]-[#8])c1
Show InChI InChI=1S/C29H32N2O3/c1-2-30-29(33)23-8-6-22(7-9-23)28(24-5-3-4-20(14-24)18-32)25-15-26-10-11-27(16-25)31(26)17-21-12-13-34-19-21/h3-9,12-14,19,26-27,32H,2,10-11,15-18H2,1H3,(H,30,33)
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 0.810n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity against mu opioid receptor in mouse hot plate test

Bioorg Med Chem Lett 14: 5493-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.004
BindingDB Entry DOI: 10.7270/Q2X34WZV
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50144266
PNG
(CHEMBL291357 | N-Ethyl-4-[phenyl-(8-pyridin-2-ylme...)
Show SMILES [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccccn1)\c1ccccc1
Show InChI InChI=1S/C29H31N3O/c1-2-30-29(33)23-13-11-22(12-14-23)28(21-8-4-3-5-9-21)24-18-26-15-16-27(19-24)32(26)20-25-10-6-7-17-31-25/h3-14,17,26-27H,2,15-16,18-20H2,1H3,(H,30,33)
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 0.860n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards opioid receptor delta 1

Bioorg Med Chem Lett 14: 2113-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.052
BindingDB Entry DOI: 10.7270/Q21J997Q
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50144289
PNG
(4-[[8-(2-Chloro-benzyl)-8-aza-bicyclo[3.2.1]oct-3-...)
Show SMILES [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccccc1Cl)\c1ccc(-[#8])cc1
Show InChI InChI=1S/C30H31ClN2O2/c1-2-32-30(35)22-9-7-20(8-10-22)29(21-11-15-27(34)16-12-21)24-17-25-13-14-26(18-24)33(25)19-23-5-3-4-6-28(23)31/h3-12,15-16,25-26,34H,2,13-14,17-19H2,1H3,(H,32,35)
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 0.930n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards opioid receptor delta 1

Bioorg Med Chem Lett 14: 2113-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.052
BindingDB Entry DOI: 10.7270/Q21J997Q
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50144268
PNG
(CHEMBL307973 | N-Cyclopropyl-4-[(8-phenethyl-8-aza...)
Show SMILES O=[#6](-[#7]-[#6]-1-[#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/C32H34N2O/c35-32(33-28-15-16-28)26-13-11-25(12-14-26)31(24-9-5-2-6-10-24)27-21-29-17-18-30(22-27)34(29)20-19-23-7-3-1-4-8-23/h1-14,28-30H,15-22H2,(H,33,35)
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 1n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards opioid receptor mu 1

Bioorg Med Chem Lett 14: 2113-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.052
BindingDB Entry DOI: 10.7270/Q21J997Q
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50155069
PNG
(4-[Cyano-(8-furan-3-ylmethyl-8-aza-bicyclo[3.2.1]o...)
Show SMILES [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](\C#N)=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccoc1
Show InChI InChI=1S/C23H25N3O2/c1-2-25-23(27)18-5-3-17(4-6-18)22(13-24)19-11-20-7-8-21(12-19)26(20)14-16-9-10-28-15-16/h3-6,9-10,15,20-21H,2,7-8,11-12,14H2,1H3,(H,25,27)
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 1n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity against mu opioid receptor in mouse hot plate test

Bioorg Med Chem Lett 14: 5493-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.004
BindingDB Entry DOI: 10.7270/Q2X34WZV
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50155096
PNG
(4-[Benzo[1,3]dioxol-5-yl-(8-furan-3-ylmethyl-8-aza...)
Show SMILES [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccoc1)\c1ccc2-[#8]-[#6]-[#8]-c2c1
Show InChI InChI=1S/C29H30N2O4/c1-2-30-29(32)21-5-3-20(4-6-21)28(22-7-10-26-27(15-22)35-18-34-26)23-13-24-8-9-25(14-23)31(24)16-19-11-12-33-17-19/h3-7,10-12,15,17,24-25H,2,8-9,13-14,16,18H2,1H3,(H,30,32)
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 1.10n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity against mu opioid receptor in mouse hot plate test

Bioorg Med Chem Lett 14: 5493-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.004
BindingDB Entry DOI: 10.7270/Q2X34WZV
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50155119
PNG
(4-[(3-Acetylamino-phenyl)-(8-furan-3-ylmethyl-8-az...)
Show SMILES [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccoc1)\c1cccc(-[#7]-[#6](-[#6])=O)c1
Show InChI InChI=1S/C30H33N3O3/c1-3-31-30(35)23-9-7-22(8-10-23)29(24-5-4-6-26(15-24)32-20(2)34)25-16-27-11-12-28(17-25)33(27)18-21-13-14-36-19-21/h4-10,13-15,19,27-28H,3,11-12,16-18H2,1-2H3,(H,31,35)(H,32,34)
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 1.20n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity against mu opioid receptor in mouse hot plate test

Bioorg Med Chem Lett 14: 5493-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.004
BindingDB Entry DOI: 10.7270/Q2X34WZV
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50155076
PNG
(CHEMBL186530 | N-Ethyl-4-[(8-furan-3-ylmethyl-8-az...)
Show SMILES [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccoc1)\c1cccnc1
Show InChI InChI=1S/C27H29N3O2/c1-2-29-27(31)21-7-5-20(6-8-21)26(22-4-3-12-28-16-22)23-14-24-9-10-25(15-23)30(24)17-19-11-13-32-18-19/h3-8,11-13,16,18,24-25H,2,9-10,14-15,17H2,1H3,(H,29,31)
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 1.20n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity against mu opioid receptor in mouse hot plate test

Bioorg Med Chem Lett 14: 5493-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.004
BindingDB Entry DOI: 10.7270/Q2X34WZV
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50155089
PNG
(4-[Benzo[1,3]dioxol-5-yl-(8-thiophen-3-ylmethyl-8-...)
Show SMILES [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccsc1)\c1ccc2-[#8]-[#6]-[#8]-c2c1
Show InChI InChI=1S/C29H30N2O3S/c1-2-30-29(32)21-5-3-20(4-6-21)28(22-7-10-26-27(15-22)34-18-33-26)23-13-24-8-9-25(14-23)31(24)16-19-11-12-35-17-19/h3-7,10-12,15,17,24-25H,2,8-9,13-14,16,18H2,1H3,(H,30,32)
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 1.30n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity against mu opioid receptor in mouse hot plate test

Bioorg Med Chem Lett 14: 5493-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.004
BindingDB Entry DOI: 10.7270/Q2X34WZV
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50155101
PNG
(4-[(3-Acetyl-phenyl)-(8-furan-3-ylmethyl-8-aza-bic...)
Show SMILES [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccoc1)\c1cccc(c1)-[#6](-[#6])=O
Show InChI InChI=1S/C30H32N2O3/c1-3-31-30(34)23-9-7-22(8-10-23)29(25-6-4-5-24(15-25)20(2)33)26-16-27-11-12-28(17-26)32(27)18-21-13-14-35-19-21/h4-10,13-15,19,27-28H,3,11-12,16-18H2,1-2H3,(H,31,34)
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 1.30n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity against mu opioid receptor in mouse hot plate test

Bioorg Med Chem Lett 14: 5493-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.004
BindingDB Entry DOI: 10.7270/Q2X34WZV
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50144304
PNG
(CHEMBL67326 | N-Ethyl-4-[(4-methoxy-phenyl)-(8-thi...)
Show SMILES [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1cccs1)\c1ccc(-[#8]-[#6])cc1
Show InChI InChI=1S/C29H32N2O2S/c1-3-30-29(32)22-8-6-20(7-9-22)28(21-10-14-26(33-2)15-11-21)23-17-24-12-13-25(18-23)31(24)19-27-5-4-16-34-27/h4-11,14-16,24-25H,3,12-13,17-19H2,1-2H3,(H,30,32)
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 1.30n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards opioid receptor delta 1

Bioorg Med Chem Lett 14: 2113-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.052
BindingDB Entry DOI: 10.7270/Q21J997Q
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50155112
PNG
(1N-ethyl-4-{4-carbamoylphenyl[8-(3-furylmethyl)-8-...)
Show SMILES [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccoc1)\c1ccc(cc1)-[#6](-[#7])=O
Show InChI InChI=1S/C29H31N3O3/c1-2-31-29(34)23-9-5-21(6-10-23)27(20-3-7-22(8-4-20)28(30)33)24-15-25-11-12-26(16-24)32(25)17-19-13-14-35-18-19/h3-10,13-14,18,25-26H,2,11-12,15-17H2,1H3,(H2,30,33)(H,31,34)
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 1.30n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity against mu opioid receptor in mouse hot plate test

Bioorg Med Chem Lett 14: 5493-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.004
BindingDB Entry DOI: 10.7270/Q2X34WZV
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50155109
PNG
(4-[(2,6-Dimethyl-phenyl)-(8-furan-3-ylmethyl-8-aza...)
Show SMILES [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccoc1)\c1c(-[#6])cccc1-[#6]
Show InChI InChI=1S/C30H34N2O2/c1-4-31-30(33)24-10-8-23(9-11-24)29(28-20(2)6-5-7-21(28)3)25-16-26-12-13-27(17-25)32(26)18-22-14-15-34-19-22/h5-11,14-15,19,26-27H,4,12-13,16-18H2,1-3H3,(H,31,33)
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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 against mu opioid receptor in mouse hot plate test

Bioorg Med Chem Lett 14: 5493-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.004
BindingDB Entry DOI: 10.7270/Q2X34WZV
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))		BDBM50144272
PNG
(4-[(8-Allyl-8-aza-bicyclo[3.2.1]oct-3-ylidene)-(3-...)
Show SMILES [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-[#6]=[#6])\c1cccc(-[#8]-[#6])c1
Show InChI InChI=1S/C27H32N2O2/c1-4-15-29-23-13-14-24(29)17-22(16-23)26(21-7-6-8-25(18-21)31-3)19-9-11-20(12-10-19)27(30)28-5-2/h4,6-12,18,23-24H,1,5,13-17H2,2-3H3,(H,28,30)
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 1.5n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards opioid receptor delta 1

Bioorg Med Chem Lett 14: 2113-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.052
BindingDB Entry DOI: 10.7270/Q21J997Q
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50155077
PNG
(CHEMBL186183 | N-Ethyl-4-[(8-furan-3-ylmethyl-8-az...)
Show SMILES [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccoc1)\c1ccc(cc1)-[#7+](-[#8-])=O
Show InChI InChI=1S/C28H29N3O4/c1-2-29-28(32)22-5-3-20(4-6-22)27(21-7-9-24(10-8-21)31(33)34)23-15-25-11-12-26(16-23)30(25)17-19-13-14-35-18-19/h3-10,13-14,18,25-26H,2,11-12,15-17H2,1H3,(H,29,32)
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 1.5n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity against mu opioid receptor in mouse hot plate test

Bioorg Med Chem Lett 14: 5493-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.004
BindingDB Entry DOI: 10.7270/Q2X34WZV
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50144300
PNG
(4-[(8-Phenethyl-8-aza-bicyclo[3.2.1]oct-3-ylidene)...)
Show SMILES [#6]-[#6]-[#6]-[#7]-[#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/C32H36N2O/c1-2-20-33-32(35)27-15-13-26(14-16-27)31(25-11-7-4-8-12-25)28-22-29-17-18-30(23-28)34(29)21-19-24-9-5-3-6-10-24/h3-16,29-30H,2,17-23H2,1H3,(H,33,35)
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 1.60n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards opioid receptor mu 1

Bioorg Med Chem Lett 14: 2113-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.052
BindingDB Entry DOI: 10.7270/Q21J997Q
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50155064
PNG
(4-[(4-Acetyl-phenyl)-(8-furan-3-ylmethyl-8-aza-bic...)
Show SMILES [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccoc1)\c1ccc(cc1)-[#6](-[#6])=O
Show InChI InChI=1S/C30H32N2O3/c1-3-31-30(34)25-10-8-24(9-11-25)29(23-6-4-22(5-7-23)20(2)33)26-16-27-12-13-28(17-26)32(27)18-21-14-15-35-19-21/h4-11,14-15,19,27-28H,3,12-13,16-18H2,1-2H3,(H,31,34)
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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 against mu opioid receptor in mouse hot plate test

Bioorg Med Chem Lett 14: 5493-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.004
BindingDB Entry DOI: 10.7270/Q2X34WZV
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
Mu-type opioid receptor


(MOUSE)		BDBM50155107
PNG
(CHEMBL185229 | N-Ethyl-4-[(4-fluoro-phenyl)-(8-fur...)
Show SMILES [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccoc1)\c1ccc(F)cc1
Show InChI InChI=1S/C28H29FN2O2/c1-2-30-28(32)22-5-3-20(4-6-22)27(21-7-9-24(29)10-8-21)23-15-25-11-12-26(16-23)31(25)17-19-13-14-33-18-19/h3-10,13-14,18,25-26H,2,11-12,15-17H2,1H3,(H,30,32)
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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 against mu opioid receptor in mouse hot plate test

Bioorg Med Chem Lett 14: 5493-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.004
BindingDB Entry DOI: 10.7270/Q2X34WZV
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50155080
PNG
(4-[(3,5-Dimethyl-isoxazol-4-yl)-(8-furan-3-ylmethy...)
Show SMILES [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](\c1c(-[#6])noc1-[#6])=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccoc1
Show InChI InChI=1S/C27H31N3O3/c1-4-28-27(31)21-7-5-20(6-8-21)26(25-17(2)29-33-18(25)3)22-13-23-9-10-24(14-22)30(23)15-19-11-12-32-16-19/h5-8,11-12,16,23-24H,4,9-10,13-15H2,1-3H3,(H,28,31)
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Article
PubMed
 1.80n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity against mu opioid receptor in mouse hot plate test

Bioorg Med Chem Lett 14: 5493-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.004
BindingDB Entry DOI: 10.7270/Q2X34WZV
More data for this
Ligand-Target Pair
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