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5 similar compounds to monomer 50144258

Compile data set for download or QSAR
Wt: 418.5
BDBM50144230
Wt: 418.5
BDBM50144242
Wt: 404.5
BDBM50144251
Wt: 480.6
BDBM50144262
Wt: 470.5
BDBM50155096

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50144230,50144242,50144251,50144262,50155096   
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


(MOUSE)
BDBM50155096
PNG
(4-[Benzo[1,3]dioxol-5-yl-(8-furan-3-ylmethyl-8-aza...)
Show SMILES CCNC(=O)c1ccc(cc1)C(=C1CC2CCC(C1)N2Cc1ccoc1)c1ccc2OCOc2c1
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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50144251
PNG
(CHEMBL302121 | N,N-Diethyl-4-[(4-hydroxy-phenyl)-(...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(=C1CC2CCC(C1)N2C)c1ccc(O)cc1
Show InChI InChI=1S/C26H32N2O2/c1-4-28(5-2)26(30)20-8-6-18(7-9-20)25(19-10-14-24(29)15-11-19)21-16-22-12-13-23(17-21)27(22)3/h6-11,14-15,22-23,29H,4-5,12-13,16-17H2,1-3H3
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1.90n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for delta opioid receptor


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


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


(Homo sapiens (Human))
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))
BDBM50144242
PNG
(CHEMBL307327 | N,N-Diethyl-4-[(3-methoxy-phenyl)-(...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(=C1CC2CCC(C1)N2C)c1cccc(OC)c1
Show InChI InChI=1S/C27H34N2O2/c1-5-29(6-2)27(30)20-12-10-19(11-13-20)26(21-8-7-9-25(18-21)31-4)22-16-23-14-15-24(17-22)28(23)3/h7-13,18,23-24H,5-6,14-17H2,1-4H3
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5.90n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for delta opioid receptor


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


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


(Homo sapiens (Human))
BDBM50144262
PNG
(CHEMBL67123 | N-Ethyl-4-[(4-methoxy-phenyl)-(8-phe...)
Show SMILES CCNC(=O)c1ccc(cc1)C(=C1CC2CCC(C1)N2CCc1ccccc1)c1ccc(OC)cc1
Show InChI InChI=1S/C32H36N2O2/c1-3-33-32(35)26-11-9-24(10-12-26)31(25-13-17-30(36-2)18-14-25)27-21-28-15-16-29(22-27)34(28)20-19-23-7-5-4-6-8-23/h4-14,17-18,28-29H,3,15-16,19-22H2,1-2H3,(H,33,35)
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6.10n/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 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))
BDBM50144262
PNG
(CHEMBL67123 | N-Ethyl-4-[(4-methoxy-phenyl)-(8-phe...)
Show SMILES CCNC(=O)c1ccc(cc1)C(=C1CC2CCC(C1)N2CCc1ccccc1)c1ccc(OC)cc1
Show InChI InChI=1S/C32H36N2O2/c1-3-33-32(35)26-11-9-24(10-12-26)31(25-13-17-30(36-2)18-14-25)27-21-28-15-16-29(22-27)34(28)20-19-23-7-5-4-6-8-23/h4-14,17-18,28-29H,3,15-16,19-22H2,1-2H3,(H,33,35)
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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 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))
BDBM50144251
PNG
(CHEMBL302121 | N,N-Diethyl-4-[(4-hydroxy-phenyl)-(...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(=C1CC2CCC(C1)N2C)c1ccc(O)cc1
Show InChI InChI=1S/C26H32N2O2/c1-4-28(5-2)26(30)20-8-6-18(7-9-20)25(19-10-14-24(29)15-11-19)21-16-22-12-13-23(17-21)27(22)3/h6-11,14-15,22-23,29H,4-5,12-13,16-17H2,1-3H3
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194n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for mu opioid receptor


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


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


(Homo sapiens (Human))
BDBM50144242
PNG
(CHEMBL307327 | N,N-Diethyl-4-[(3-methoxy-phenyl)-(...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(=C1CC2CCC(C1)N2C)c1cccc(OC)c1
Show InChI InChI=1S/C27H34N2O2/c1-5-29(6-2)27(30)20-12-10-19(11-13-20)26(21-8-7-9-25(18-21)31-4)22-16-23-14-15-24(17-22)28(23)3/h7-13,18,23-24H,5-6,14-17H2,1-4H3
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693n/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))
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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50144242
PNG
(CHEMBL307327 | N,N-Diethyl-4-[(3-methoxy-phenyl)-(...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(=C1CC2CCC(C1)N2C)c1cccc(OC)c1
Show InChI InChI=1S/C27H34N2O2/c1-5-29(6-2)27(30)20-12-10-19(11-13-20)26(21-8-7-9-25(18-21)31-4)22-16-23-14-15-24(17-22)28(23)3/h7-13,18,23-24H,5-6,14-17H2,1-4H3
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n/an/an/an/a 65n/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))
BDBM50144251
PNG
(CHEMBL302121 | N,N-Diethyl-4-[(4-hydroxy-phenyl)-(...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(=C1CC2CCC(C1)N2C)c1ccc(O)cc1
Show InChI InChI=1S/C26H32N2O2/c1-4-28(5-2)26(30)20-8-6-18(7-9-20)25(19-10-14-24(29)15-11-19)21-16-22-12-13-23(17-21)27(22)3/h6-11,14-15,22-23,29H,4-5,12-13,16-17H2,1-3H3
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n/an/an/an/a 9n/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