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32 similar compounds to monomer 50144245

Compile data set for download or QSAR
Wt: 501.0
BDBM50144274
Wt: 390.5
BDBM50144279
Wt: 402.5
BDBM50144282
Wt: 360.4
BDBM50144283
Wt: 386.5
BDBM50144285
Wt: 362.4
BDBM50144287
Wt: 464.6
BDBM50144288
Wt: 487.0
BDBM50144289
Wt: 466.6
BDBM50144296
Wt: 386.5
BDBM50144298
Wt: 360.4
BDBM50144299
Wt: 346.4
BDBM50144301
Wt: 466.6
BDBM50144302
Wt: 414.5
BDBM50144229
Wt: 418.5
BDBM50144230
Displayed 1 to 15 (of 32 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 32 hits for monomerid = 50144274,50144279,50144282,50144283,50144285,50144287,50144288,50144289,50144296,50144298,50144299,50144301,50144302,50144229,50144230   
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))
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
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))
BDBM50144282
PNG
(4-[(8-Allyl-8-aza-bicyclo[3.2.1]oct-3-ylidene)-(3-...)
Show SMILES CCNC(=O)c1ccc(cc1)C(=C1CC2CCC(C1)N2CC=C)c1cccc(O)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))
BDBM50144289
PNG
(4-[[8-(2-Chloro-benzyl)-8-aza-bicyclo[3.2.1]oct-3-...)
Show SMILES CCNC(=O)c1ccc(cc1)C(=C1CC2CCC(C1)N2Cc1ccccc1Cl)c1ccc(O)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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50144285
PNG
(4-{[(1R,5S)-8-Allyl-8-aza-bicyclo[3.2.1]oct-(3E)-y...)
Show SMILES CCNC(=O)c1ccc(cc1)C(=C1/C[C@@H]2CC[C@H](C1)N2CC=C)\c1ccccc1
Show InChI InChI=1S/C26H30N2O/c1-3-16-28-23-14-15-24(28)18-22(17-23)25(19-8-6-5-7-9-19)20-10-12-21(13-11-20)26(29)27-4-2/h3,5-13,23-24H,1,4,14-18H2,2H3,(H,27,29)/b25-22-/t23-,24+/m1/s1
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2.20n/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))
BDBM50144230
PNG
(CHEMBL67157 | N,N-Diethyl-4-[(4-methoxy-phenyl)-(8...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(=C1CC2CCC(C1)N2C)c1ccc(OC)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))
BDBM50144287
PNG
(4-[(8-Aza-bicyclo[3.2.1]oct-3-ylidene)-(4-hydroxy-...)
Show SMILES CCNC(=O)c1ccc(cc1)C(=C1CC2CCC(C1)N2)c1ccc(O)cc1
Show InChI InChI=1S/C23H26N2O2/c1-2-24-23(27)17-5-3-15(4-6-17)22(16-7-11-21(26)12-8-16)18-13-19-9-10-20(14-18)25-19/h3-8,11-12,19-20,25-26H,2,9-10,13-14H2,1H3,(H,24,27)
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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
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))
BDBM50144288
PNG
(CHEMBL67894 | N-Ethyl-4-{phenyl-[8-(3-phenyl-propy...)
Show SMILES CCNC(=O)c1ccc(cc1)C(=C1CC2CCC(C1)N2CCCc1ccccc1)c1ccccc1
Show InChI InChI=1S/C32H36N2O/c1-2-33-32(35)27-17-15-26(16-18-27)31(25-13-7-4-8-14-25)28-22-29-19-20-30(23-28)34(29)21-9-12-24-10-5-3-6-11-24/h3-8,10-11,13-18,29-30H,2,9,12,19-23H2,1H3,(H,33,35)
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4.80n/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))
BDBM50144301
PNG
(4-[(S)-(R)-8-Aza-bicyclo[3.2.1]oct-(3E)-ylidene-ph...)
Show SMILES CCNC(=O)c1ccc(cc1)C(=C1/C[C@@H]2CC[C@H](C1)N2)\c1ccccc1
Show InChI InChI=1S/C23H26N2O/c1-2-24-23(26)18-10-8-17(9-11-18)22(16-6-4-3-5-7-16)19-14-20-12-13-21(15-19)25-20/h3-11,20-21,25H,2,12-15H2,1H3,(H,24,26)/b22-19-/t20-,21+/m1/s1
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5.5n/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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50144274
PNG
(4-[[8-(2-Chloro-benzyl)-8-aza-bicyclo[3.2.1]oct-3-...)
Show SMILES CCNC(=O)c1ccc(cc1)C(=C1CC2CCC(C1)N2Cc1ccccc1Cl)c1ccc(OC)cc1
Show InChI InChI=1S/C31H33ClN2O2/c1-3-33-31(35)23-10-8-21(9-11-23)30(22-12-16-28(36-2)17-13-22)25-18-26-14-15-27(19-25)34(26)20-24-6-4-5-7-29(24)32/h4-13,16-17,26-27H,3,14-15,18-20H2,1-2H3,(H,33,35)
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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
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))
BDBM50144299
PNG
(CHEMBL67893 | N-Ethyl-4-{[(1R,5S)-8-methyl-8-aza-b...)
Show SMILES CCNC(=O)c1ccc(cc1)C(=C1/C[C@@H]2CC[C@H](C1)N2C)\c1ccccc1
Show InChI InChI=1S/C24H28N2O/c1-3-25-24(27)19-11-9-18(10-12-19)23(17-7-5-4-6-8-17)20-15-21-13-14-22(16-20)26(21)2/h4-12,21-22H,3,13-16H2,1-2H3,(H,25,27)/b23-20-/t21-,22+/m1/s1
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6.40n/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))
BDBM50144298
PNG
(4-{[(1S,5R)-8-Allyl-8-aza-bicyclo[3.2.1]oct-(3Z)-y...)
Show SMILES CCNC(=O)c1ccc(cc1)C(=C1\C[C@@H]2CC[C@H](C1)N2CC=C)\c1ccccc1
Show InChI InChI=1S/C26H30N2O/c1-3-16-28-23-14-15-24(28)18-22(17-23)25(19-8-6-5-7-9-19)20-10-12-21(13-11-20)26(29)27-4-2/h3,5-13,23-24H,1,4,14-18H2,2H3,(H,27,29)/b25-22-/t23-,24+/m0/s1
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7.70n/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))
BDBM50144302
PNG
(CHEMBL303381 | N-Ethyl-4-[(4-hydroxy-phenyl)-(8-ph...)
Show SMILES CCNC(=O)c1ccc(cc1)C(=C1CC2CCC(C1)N2CCc1ccccc1)c1ccc(O)cc1
Show InChI InChI=1S/C31H34N2O2/c1-2-32-31(35)25-10-8-23(9-11-25)30(24-12-16-29(34)17-13-24)26-20-27-14-15-28(21-26)33(27)19-18-22-6-4-3-5-7-22/h3-13,16-17,27-28,34H,2,14-15,18-21H2,1H3,(H,32,35)
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7.80n/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))
BDBM50144289
PNG
(4-[[8-(2-Chloro-benzyl)-8-aza-bicyclo[3.2.1]oct-3-...)
Show SMILES CCNC(=O)c1ccc(cc1)C(=C1CC2CCC(C1)N2Cc1ccccc1Cl)c1ccc(O)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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8.70n/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))
BDBM50144282
PNG
(4-[(8-Allyl-8-aza-bicyclo[3.2.1]oct-3-ylidene)-(3-...)
Show SMILES CCNC(=O)c1ccc(cc1)C(=C1CC2CCC(C1)N2CC=C)c1cccc(O)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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9.60n/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


(Homo sapiens (Human))
BDBM50144285
PNG
(4-{[(1R,5S)-8-Allyl-8-aza-bicyclo[3.2.1]oct-(3E)-y...)
Show SMILES CCNC(=O)c1ccc(cc1)C(=C1/C[C@@H]2CC[C@H](C1)N2CC=C)\c1ccccc1
Show InChI InChI=1S/C26H30N2O/c1-3-16-28-23-14-15-24(28)18-22(17-23)25(19-8-6-5-7-9-19)20-10-12-21(13-11-20)26(29)27-4-2/h3,5-13,23-24H,1,4,14-18H2,2H3,(H,27,29)/b25-22-/t23-,24+/m1/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
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))
BDBM50144288
PNG
(CHEMBL67894 | N-Ethyl-4-{phenyl-[8-(3-phenyl-propy...)
Show SMILES CCNC(=O)c1ccc(cc1)C(=C1CC2CCC(C1)N2CCCc1ccccc1)c1ccccc1
Show InChI InChI=1S/C32H36N2O/c1-2-33-32(35)27-17-15-26(16-18-27)31(25-13-7-4-8-14-25)28-22-29-19-20-30(23-28)34(29)21-9-12-24-10-5-3-6-11-24/h3-8,10-11,13-18,29-30H,2,9,12,19-23H2,1H3,(H,33,35)
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12n/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))
BDBM50144298
PNG
(4-{[(1S,5R)-8-Allyl-8-aza-bicyclo[3.2.1]oct-(3Z)-y...)
Show SMILES CCNC(=O)c1ccc(cc1)C(=C1\C[C@@H]2CC[C@H](C1)N2CC=C)\c1ccccc1
Show InChI InChI=1S/C26H30N2O/c1-3-16-28-23-14-15-24(28)18-22(17-23)25(19-8-6-5-7-9-19)20-10-12-21(13-11-20)26(29)27-4-2/h3,5-13,23-24H,1,4,14-18H2,2H3,(H,27,29)/b25-22-/t23-,24+/m0/s1
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19n/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))
BDBM50144302
PNG
(CHEMBL303381 | N-Ethyl-4-[(4-hydroxy-phenyl)-(8-ph...)
Show SMILES CCNC(=O)c1ccc(cc1)C(=C1CC2CCC(C1)N2CCc1ccccc1)c1ccc(O)cc1
Show InChI InChI=1S/C31H34N2O2/c1-2-32-31(35)25-10-8-23(9-11-25)30(24-12-16-29(34)17-13-24)26-20-27-14-15-28(21-26)33(27)19-18-22-6-4-3-5-7-22/h3-13,16-17,27-28,34H,2,14-15,18-21H2,1H3,(H,32,35)
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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
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))
BDBM50144279
PNG
(CHEMBL292332 | N-Ethyl-4-{[8-(2-hydroxy-ethyl)-8-a...)
Show SMILES CCNC(=O)c1ccc(cc1)C(=C1CC2CCC(C1)N2CCO)c1ccccc1
Show InChI InChI=1S/C25H30N2O2/c1-2-26-25(29)20-10-8-19(9-11-20)24(18-6-4-3-5-7-18)21-16-22-12-13-23(17-21)27(22)14-15-28/h3-11,22-23,28H,2,12-17H2,1H3,(H,26,29)
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26n/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))
BDBM50144299
PNG
(CHEMBL67893 | N-Ethyl-4-{[(1R,5S)-8-methyl-8-aza-b...)
Show SMILES CCNC(=O)c1ccc(cc1)C(=C1/C[C@@H]2CC[C@H](C1)N2C)\c1ccccc1
Show InChI InChI=1S/C24H28N2O/c1-3-25-24(27)19-11-9-18(10-12-19)23(17-7-5-4-6-8-17)20-15-21-13-14-22(16-20)26(21)2/h4-12,21-22H,3,13-16H2,1-2H3,(H,25,27)/b23-20-/t21-,22+/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
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))
BDBM50144296
PNG
(CHEMBL67088 | N-Ethyl-4-{[8-(2-phenoxy-ethyl)-8-az...)
Show SMILES CCNC(=O)c1ccc(cc1)C(=C1CC2CCC(C1)N2CCOc1ccccc1)c1ccccc1
Show InChI InChI=1S/C31H34N2O2/c1-2-32-31(34)25-15-13-24(14-16-25)30(23-9-5-3-6-10-23)26-21-27-17-18-28(22-26)33(27)19-20-35-29-11-7-4-8-12-29/h3-16,27-28H,2,17-22H2,1H3,(H,32,34)
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63n/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))
BDBM50144301
PNG
(4-[(S)-(R)-8-Aza-bicyclo[3.2.1]oct-(3E)-ylidene-ph...)
Show SMILES CCNC(=O)c1ccc(cc1)C(=C1/C[C@@H]2CC[C@H](C1)N2)\c1ccccc1
Show InChI InChI=1S/C23H26N2O/c1-2-24-23(26)18-10-8-17(9-11-18)22(16-6-4-3-5-7-16)19-14-20-12-13-21(15-19)25-20/h3-11,20-21,25H,2,12-15H2,1H3,(H,24,26)/b22-19-/t20-,21+/m1/s1
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75n/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))
BDBM50144279
PNG
(CHEMBL292332 | N-Ethyl-4-{[8-(2-hydroxy-ethyl)-8-a...)
Show SMILES CCNC(=O)c1ccc(cc1)C(=C1CC2CCC(C1)N2CCO)c1ccccc1
Show InChI InChI=1S/C25H30N2O2/c1-2-26-25(29)20-10-8-19(9-11-20)24(18-6-4-3-5-7-18)21-16-22-12-13-23(17-21)27(22)14-15-28/h3-11,22-23,28H,2,12-17H2,1H3,(H,26,29)
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76n/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))
BDBM50144296
PNG
(CHEMBL67088 | N-Ethyl-4-{[8-(2-phenoxy-ethyl)-8-az...)
Show SMILES CCNC(=O)c1ccc(cc1)C(=C1CC2CCC(C1)N2CCOc1ccccc1)c1ccccc1
Show InChI InChI=1S/C31H34N2O2/c1-2-32-31(34)25-15-13-24(14-16-25)30(23-9-5-3-6-10-23)26-21-27-17-18-28(22-26)33(27)19-20-35-29-11-7-4-8-12-29/h3-16,27-28H,2,17-22H2,1H3,(H,32,34)
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93n/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))
BDBM50144274
PNG
(4-[[8-(2-Chloro-benzyl)-8-aza-bicyclo[3.2.1]oct-3-...)
Show SMILES CCNC(=O)c1ccc(cc1)C(=C1CC2CCC(C1)N2Cc1ccccc1Cl)c1ccc(OC)cc1
Show InChI InChI=1S/C31H33ClN2O2/c1-3-33-31(35)23-10-8-21(9-11-23)30(22-12-16-28(36-2)17-13-22)25-18-26-14-15-27(19-25)34(26)20-24-6-4-5-7-29(24)32/h4-13,16-17,26-27H,3,14-15,18-20H2,1-2H3,(H,33,35)
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122n/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))
BDBM50144287
PNG
(4-[(8-Aza-bicyclo[3.2.1]oct-3-ylidene)-(4-hydroxy-...)
Show SMILES CCNC(=O)c1ccc(cc1)C(=C1CC2CCC(C1)N2)c1ccc(O)cc1
Show InChI InChI=1S/C23H26N2O2/c1-2-24-23(27)17-5-3-15(4-6-17)22(16-7-11-21(26)12-8-16)18-13-19-9-10-20(14-18)25-19/h3-8,11-12,19-20,25-26H,2,9-10,13-14H2,1H3,(H,24,27)
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265n/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))
BDBM50144283
PNG
(CHEMBL68341 | N-Ethyl-4-{[(1S,5R)-8-methyl-8-aza-b...)
Show SMILES CCNC(=O)c1ccc(cc1)C(=C1\C[C@@H]2CC[C@H](C1)N2C)\c1ccccc1
Show InChI InChI=1S/C24H28N2O/c1-3-25-24(27)19-11-9-18(10-12-19)23(17-7-5-4-6-8-17)20-15-21-13-14-22(16-20)26(21)2/h4-12,21-22H,3,13-16H2,1-2H3,(H,25,27)/b23-20-/t21-,22+/m0/s1
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292n/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))
BDBM50144283
PNG
(CHEMBL68341 | N-Ethyl-4-{[(1S,5R)-8-methyl-8-aza-b...)
Show SMILES CCNC(=O)c1ccc(cc1)C(=C1\C[C@@H]2CC[C@H](C1)N2C)\c1ccccc1
Show InChI InChI=1S/C24H28N2O/c1-3-25-24(27)19-11-9-18(10-12-19)23(17-7-5-4-6-8-17)20-15-21-13-14-22(16-20)26(21)2/h4-12,21-22H,3,13-16H2,1-2H3,(H,25,27)/b23-20-/t21-,22+/m0/s1
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304n/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))
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
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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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))
BDBM50144230
PNG
(CHEMBL67157 | N,N-Diethyl-4-[(4-methoxy-phenyl)-(8...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(=C1CC2CCC(C1)N2C)c1ccc(OC)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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1.50E+3n/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))
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
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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n/an/an/an/a 0.5n/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))
BDBM50144230
PNG
(CHEMBL67157 | N,N-Diethyl-4-[(4-methoxy-phenyl)-(8...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(=C1CC2CCC(C1)N2C)c1ccc(OC)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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n/an/an/an/a 27n/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