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47 similar compounds to monomer 50144281

Compile data set for download or QSAR
Wt: 504.7
BDBM50452061
Wt: 518.7
BDBM50452062
Wt: 466.6
BDBM50144275
Wt: 450.6
BDBM50144276
Wt: 478.6
BDBM50144278
Wt: 390.5
BDBM50144279
Wt: 498.6
BDBM50144280
Wt: 360.4
BDBM50144283
Wt: 386.5
BDBM50144285
Wt: 464.6
BDBM50144288
Wt: 478.6
BDBM50144290
Wt: 468.6
BDBM50144292
Wt: 504.7
BDBM50144294
Wt: 422.5
BDBM50144297
Wt: 386.5
BDBM50144298
Displayed 1 to 15 (of 47 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 32 hits for monomerid = 50452061,50452062,50144275,50144276,50144278,50144279,50144280,50144283,50144285,50144288,50144290,50144292,50144294,50144297,50144298   
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
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50144275
PNG
(CHEMBL419621 | N-Ethyl-4-[(3-hydroxy-phenyl)-(8-ph...)
Show SMILES CCNC(=O)c1ccc(cc1)C(=C1CC2CCC(C1)N2CCc1ccccc1)c1cccc(O)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
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
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
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))
BDBM50452061
PNG
(CHEMBL2112215)
Show SMILES CCN(CC(C)=C)C(=O)c1ccc(cc1)C(=C1\C[C@@H]2CC[C@H](C1)N2CCc1ccccc1)\c1ccccc1
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
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50144292
PNG
(CHEMBL67735 | N-(2-Fluoro-ethyl)-4-[(8-phenethyl-8...)
Show SMILES FCCNC(=O)c1ccc(cc1)C(=C1CC2CCC(C1)N2CCc1ccccc1)c1ccccc1
Show InChI InChI=1S/C31H33FN2O/c32-18-19-33-31(35)26-13-11-25(12-14-26)30(24-9-5-2-6-10-24)27-21-28-15-16-29(22-27)34(28)20-17-23-7-3-1-4-8-23/h1-14,28-29H,15-22H2,(H,33,35)
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3n/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))
BDBM50144275
PNG
(CHEMBL419621 | N-Ethyl-4-[(3-hydroxy-phenyl)-(8-ph...)
Show SMILES CCNC(=O)c1ccc(cc1)C(=C1CC2CCC(C1)N2CCc1ccccc1)c1cccc(O)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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4.10n/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))
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
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))
BDBM50452062
PNG
(CHEMBL2112214)
Show SMILES CC1CCCC(C)N1C(=O)c1ccc(cc1)C(=C1\C[C@@H]2CC[C@H](C1)N2CCc1ccccc1)\c1ccccc1
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))
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))
BDBM50144290
PNG
(CHEMBL68358 | N-Butyl-4-[(8-phenethyl-8-aza-bicycl...)
Show SMILES CCCCNC(=O)c1ccc(cc1)C(=C1CC2CCC(C1)N2CCc1ccccc1)c1ccccc1
Show InChI InChI=1S/C33H38N2O/c1-2-3-21-34-33(36)28-16-14-27(15-17-28)32(26-12-8-5-9-13-26)29-23-30-18-19-31(24-29)35(30)22-20-25-10-6-4-7-11-25/h4-17,30-31H,2-3,18-24H2,1H3,(H,34,36)
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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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50144292
PNG
(CHEMBL67735 | N-(2-Fluoro-ethyl)-4-[(8-phenethyl-8...)
Show SMILES FCCNC(=O)c1ccc(cc1)C(=C1CC2CCC(C1)N2CCc1ccccc1)c1ccccc1
Show InChI InChI=1S/C31H33FN2O/c32-18-19-33-31(35)26-13-11-25(12-14-26)30(24-9-5-2-6-10-24)27-21-28-15-16-29(22-27)34(28)20-17-23-7-3-1-4-8-23/h1-14,28-29H,15-22H2,(H,33,35)
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32n/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))
BDBM50144297
PNG
(4-[(8-Phenethyl-8-aza-bicyclo[3.2.1]oct-3-ylidene)...)
Show SMILES NC(=O)c1ccc(cc1)C(=C1CC2CCC(C1)N2CCc1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H30N2O/c30-29(32)24-13-11-23(12-14-24)28(22-9-5-2-6-10-22)25-19-26-15-16-27(20-25)31(26)18-17-21-7-3-1-4-8-21/h1-14,26-27H,15-20H2,(H2,30,32)
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36n/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))
BDBM50144297
PNG
(4-[(8-Phenethyl-8-aza-bicyclo[3.2.1]oct-3-ylidene)...)
Show SMILES NC(=O)c1ccc(cc1)C(=C1CC2CCC(C1)N2CCc1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H30N2O/c30-29(32)24-13-11-23(12-14-24)28(22-9-5-2-6-10-22)25-19-26-15-16-27(20-25)31(26)18-17-21-7-3-1-4-8-21/h1-14,26-27H,15-20H2,(H2,30,32)
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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 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))
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
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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47n/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))
BDBM50144290
PNG
(CHEMBL68358 | N-Butyl-4-[(8-phenethyl-8-aza-bicycl...)
Show SMILES CCCCNC(=O)c1ccc(cc1)C(=C1CC2CCC(C1)N2CCc1ccccc1)c1ccccc1
Show InChI InChI=1S/C33H38N2O/c1-2-3-21-34-33(36)28-16-14-27(15-17-28)32(26-12-8-5-9-13-26)29-23-30-18-19-31(24-29)35(30)22-20-25-10-6-4-7-11-25/h4-17,30-31H,2-3,18-24H2,1H3,(H,34,36)
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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
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))
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))
BDBM50452061
PNG
(CHEMBL2112215)
Show SMILES CCN(CC(C)=C)C(=O)c1ccc(cc1)C(=C1\C[C@@H]2CC[C@H](C1)N2CCc1ccccc1)\c1ccccc1
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
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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50144278
PNG
(CHEMBL67781 | N-tert-Butyl-4-[(8-phenethyl-8-aza-b...)
Show SMILES CC(C)(C)NC(=O)c1ccc(cc1)C(=C1CC2CCC(C1)N2CCc1ccccc1)c1ccccc1
Show InChI InChI=1S/C33H38N2O/c1-33(2,3)34-32(36)27-16-14-26(15-17-27)31(25-12-8-5-9-13-25)28-22-29-18-19-30(23-28)35(29)21-20-24-10-6-4-7-11-24/h4-17,29-30H,18-23H2,1-3H3,(H,34,36)
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352n/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))
BDBM50452062
PNG
(CHEMBL2112214)
Show SMILES CC1CCCC(C)N1C(=O)c1ccc(cc1)C(=C1\C[C@@H]2CC[C@H](C1)N2CCc1ccccc1)\c1ccccc1
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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571n/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))
BDBM50144278
PNG
(CHEMBL67781 | N-tert-Butyl-4-[(8-phenethyl-8-aza-b...)
Show SMILES CC(C)(C)NC(=O)c1ccc(cc1)C(=C1CC2CCC(C1)N2CCc1ccccc1)c1ccccc1
Show InChI InChI=1S/C33H38N2O/c1-33(2,3)34-32(36)27-16-14-26(15-17-27)31(25-12-8-5-9-13-25)28-22-29-18-19-30(23-28)35(29)21-20-24-10-6-4-7-11-24/h4-17,29-30H,18-23H2,1-3H3,(H,34,36)
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608n/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))
BDBM50144294
PNG
(CHEMBL303148 | N-Cyclohexyl-4-[(8-phenethyl-8-aza-...)
Show SMILES O=C(NC1CCCCC1)c1ccc(cc1)C(=C1CC2CCC(C1)N2CCc1ccccc1)c1ccccc1
Show InChI InChI=1S/C35H40N2O/c38-35(36-31-14-8-3-9-15-31)29-18-16-28(17-19-29)34(27-12-6-2-7-13-27)30-24-32-20-21-33(25-30)37(32)23-22-26-10-4-1-5-11-26/h1-2,4-7,10-13,16-19,31-33H,3,8-9,14-15,20-25H2,(H,36,38)
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717n/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))
BDBM50144294
PNG
(CHEMBL303148 | N-Cyclohexyl-4-[(8-phenethyl-8-aza-...)
Show SMILES O=C(NC1CCCCC1)c1ccc(cc1)C(=C1CC2CCC(C1)N2CCc1ccccc1)c1ccccc1
Show InChI InChI=1S/C35H40N2O/c38-35(36-31-14-8-3-9-15-31)29-18-16-28(17-19-29)34(27-12-6-2-7-13-27)30-24-32-20-21-33(25-30)37(32)23-22-26-10-4-1-5-11-26/h1-2,4-7,10-13,16-19,31-33H,3,8-9,14-15,20-25H2,(H,36,38)
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924n/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))
BDBM50144280
PNG
(4-[(8-Phenethyl-8-aza-bicyclo[3.2.1]oct-3-ylidene)...)
Show SMILES O=C(Nc1ccccc1)c1ccc(cc1)C(=C1CC2CCC(C1)N2CCc1ccccc1)c1ccccc1
Show InChI InChI=1S/C35H34N2O/c38-35(36-31-14-8-3-9-15-31)29-18-16-28(17-19-29)34(27-12-6-2-7-13-27)30-24-32-20-21-33(25-30)37(32)23-22-26-10-4-1-5-11-26/h1-19,32-33H,20-25H2,(H,36,38)
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1.52E+3n/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))
BDBM50144280
PNG
(4-[(8-Phenethyl-8-aza-bicyclo[3.2.1]oct-3-ylidene)...)
Show SMILES O=C(Nc1ccccc1)c1ccc(cc1)C(=C1CC2CCC(C1)N2CCc1ccccc1)c1ccccc1
Show InChI InChI=1S/C35H34N2O/c38-35(36-31-14-8-3-9-15-31)29-18-16-28(17-19-29)34(27-12-6-2-7-13-27)30-24-32-20-21-33(25-30)37(32)23-22-26-10-4-1-5-11-26/h1-19,32-33H,20-25H2,(H,36,38)
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4.24E+3n/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))
BDBM50452062
PNG
(CHEMBL2112214)
Show SMILES CC1CCCC(C)N1C(=O)c1ccc(cc1)C(=C1\C[C@@H]2CC[C@H](C1)N2CCc1ccccc1)\c1ccccc1
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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n/an/an/an/a 1.00E+4n/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))
BDBM50452061
PNG
(CHEMBL2112215)
Show SMILES CCN(CC(C)=C)C(=O)c1ccc(cc1)C(=C1\C[C@@H]2CC[C@H](C1)N2CCc1ccccc1)\c1ccccc1
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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n/an/an/an/a 1.08E+3n/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