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17 similar compounds to monomer 50393719

Compile data set for download or QSAR
Wt: 452.5
BDBM50154035
Wt: 438.5
BDBM50154036
Wt: 418.5
BDBM50182939
Wt: 466.5
BDBM50182942
Wt: 466.5
BDBM50182949
Wt: 480.6
BDBM50182954
Wt: 642.5
BDBM50393720
Wt: 523.6
BDBM50375298
Wt: 406.5
BDBM50393716
Wt: 392.4
BDBM50393717
Wt: 378.4
BDBM50393718
Wt: 378.4
BDBM50393721
Wt: 495.6
BDBM50393722
Wt: 539.6
BDBM50393724
Wt: 420.5
BDBM50393725
Displayed 1 to 15 (of 17 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 72 hits for monomerid = 50154035,50154036,50182939,50182942,50182949,50182954,50393720,50375298,50393716,50393717,50393718,50393721,50393722,50393724,50393725   
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
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50393725
PNG
(CHEMBL2159117)
Show SMILES CC(C)N([C@@H](C)c1nc(c[nH]1)-c1ccccc1)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C
Show InChI InChI=1/C25H32N4O2/c1-15(2)29(18(5)24-27-14-23(28-24)19-9-7-6-8-10-19)25(31)22(26)13-21-16(3)11-20(30)12-17(21)4/h6-12,14-15,18,22,30H,13,26H2,1-5H3,(H,27,28)/t18-,22-/s2
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0.0300n/an/an/an/an/an/an/an/a



Janssen Research and Development, L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to rat mu opioid receptor


Bioorg Med Chem Lett 22: 4869-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.042
BindingDB Entry DOI: 10.7270/Q2F76DP8
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50182939
PNG
((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-1-((S...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCCC[C@H]1c1nc(c[nH]1)-c1ccccc1
Show InChI InChI=1S/C25H30N4O2/c1-16-12-19(30)13-17(2)20(16)14-21(26)25(31)29-11-7-6-10-23(29)24-27-15-22(28-24)18-8-4-3-5-9-18/h3-5,8-9,12-13,15,21,23,30H,6-7,10-11,14,26H2,1-2H3,(H,27,28)/t21-,23-/m0/s1
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0.0500n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain


Bioorg Med Chem Lett 16: 2505-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.082
BindingDB Entry DOI: 10.7270/Q29G5MDZ
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50182939
PNG
((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-1-((S...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCCC[C@H]1c1nc(c[nH]1)-c1ccccc1
Show InChI InChI=1S/C25H30N4O2/c1-16-12-19(30)13-17(2)20(16)14-21(26)25(31)29-11-7-6-10-23(29)24-27-15-22(28-24)18-8-4-3-5-9-18/h3-5,8-9,12-13,15,21,23,30H,6-7,10-11,14,26H2,1-2H3,(H,27,28)/t21-,23-/m0/s1
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0.0500n/an/an/an/an/an/an/an/a



Janssen Research and Development, L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to rat mu opioid receptor


Bioorg Med Chem Lett 22: 4869-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.042
BindingDB Entry DOI: 10.7270/Q2F76DP8
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50393716
PNG
(CHEMBL2159115)
Show SMILES CC(C)N(Cc1nc(c[nH]1)-c1ccccc1)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C
Show InChI InChI=1/C24H30N4O2/c1-15(2)28(14-23-26-13-22(27-23)18-8-6-5-7-9-18)24(30)21(25)12-20-16(3)10-19(29)11-17(20)4/h5-11,13,15,21,29H,12,14,25H2,1-4H3,(H,26,27)/t21-/s2
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0.100n/an/an/an/an/an/an/an/a



Janssen Research and Development, L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to rat mu opioid receptor


Bioorg Med Chem Lett 22: 4869-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.042
BindingDB Entry DOI: 10.7270/Q2F76DP8
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50182942
PNG
((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-1-((S...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1c1nc(c[nH]1)-c1ccccc1
Show InChI InChI=1S/C29H30N4O2/c1-18-12-23(34)13-19(2)24(18)15-25(30)29(35)33-17-22-11-7-6-10-21(22)14-27(33)28-31-16-26(32-28)20-8-4-3-5-9-20/h3-13,16,25,27,34H,14-15,17,30H2,1-2H3,(H,31,32)/t25-,27-/m0/s1
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0.100n/an/an/an/an/an/an/an/a



Janssen Research and Development, L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to rat delta opioid receptor


Bioorg Med Chem Lett 22: 4869-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.042
BindingDB Entry DOI: 10.7270/Q2F76DP8
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50182942
PNG
((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-1-((S...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1c1nc(c[nH]1)-c1ccccc1
Show InChI InChI=1S/C29H30N4O2/c1-18-12-23(34)13-19(2)24(18)15-25(30)29(35)33-17-22-11-7-6-10-21(22)14-27(33)28-31-16-26(32-28)20-8-4-3-5-9-20/h3-13,16,25,27,34H,14-15,17,30H2,1-2H3,(H,31,32)/t25-,27-/m0/s1
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0.100n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in rat brain


Bioorg Med Chem Lett 16: 2505-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.082
BindingDB Entry DOI: 10.7270/Q29G5MDZ
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50182954
PNG
((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-1-((S...)
Show SMILES Cc1[nH]c(nc1-c1ccccc1)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C
Show InChI InChI=1S/C30H32N4O2/c1-18-13-24(35)14-19(2)25(18)16-26(31)30(36)34-17-23-12-8-7-11-22(23)15-27(34)29-32-20(3)28(33-29)21-9-5-4-6-10-21/h4-14,26-27,35H,15-17,31H2,1-3H3,(H,32,33)/t26-,27-/m0/s1
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0.100n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in rat brain


Bioorg Med Chem Lett 16: 2505-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.082
BindingDB Entry DOI: 10.7270/Q29G5MDZ
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50393717
PNG
(CHEMBL2159116)
Show SMILES C[C@H](N(C)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1nc(c[nH]1)-c1ccccc1
Show InChI InChI=1/C23H28N4O2/c1-14-10-18(28)11-15(2)19(14)12-20(24)23(29)27(4)16(3)22-25-13-21(26-22)17-8-6-5-7-9-17/h5-11,13,16,20,28H,12,24H2,1-4H3,(H,25,26)/t16-,20-/s2
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0.100n/an/an/an/an/an/an/an/a



Janssen Research and Development, L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to rat mu opioid receptor


Bioorg Med Chem Lett 22: 4869-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.042
BindingDB Entry DOI: 10.7270/Q2F76DP8
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50182942
PNG
((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-1-((S...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1c1nc(c[nH]1)-c1ccccc1
Show InChI InChI=1S/C29H30N4O2/c1-18-12-23(34)13-19(2)24(18)15-25(30)29(35)33-17-22-11-7-6-10-21(22)14-27(33)28-31-16-26(32-28)20-8-4-3-5-9-20/h3-13,16,25,27,34H,14-15,17,30H2,1-2H3,(H,31,32)/t25-,27-/m0/s1
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0.300n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain


Bioorg Med Chem Lett 16: 2505-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.082
BindingDB Entry DOI: 10.7270/Q29G5MDZ
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50154035
PNG
((S)-2-amino-3-(4-hydroxyphenyl)-1-((S)-3-(5-methyl...)
Show SMILES Cc1[nH]c(nc1-c1ccccc1)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C28H28N4O2/c1-18-26(20-7-3-2-4-8-20)31-27(30-18)25-16-21-9-5-6-10-22(21)17-32(25)28(34)24(29)15-19-11-13-23(33)14-12-19/h2-14,24-25,33H,15-17,29H2,1H3,(H,30,31)/t24-,25-/m0/s1
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0.300n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in rat brain


Bioorg Med Chem Lett 16: 2505-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.082
BindingDB Entry DOI: 10.7270/Q29G5MDZ
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50182954
PNG
((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-1-((S...)
Show SMILES Cc1[nH]c(nc1-c1ccccc1)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C
Show InChI InChI=1S/C30H32N4O2/c1-18-13-24(35)14-19(2)25(18)16-26(31)30(36)34-17-23-12-8-7-11-22(23)15-27(34)29-32-20(3)28(33-29)21-9-5-4-6-10-21/h4-14,26-27,35H,15-17,31H2,1-3H3,(H,32,33)/t26-,27-/m0/s1
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0.300n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain


Bioorg Med Chem Lett 16: 2505-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.082
BindingDB Entry DOI: 10.7270/Q29G5MDZ
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50393722
PNG
(CHEMBL2159119)
Show SMILES C[C@H](N(Cc1ccccc1)C(=O)[C@@H](N)Cc1c(C)cc(cc1C)C(N)=O)c1nc(c[nH]1)-c1ccccc1
Show InChI InChI=1/C30H33N5O2/c1-19-14-24(28(32)36)15-20(2)25(19)16-26(31)30(37)35(18-22-10-6-4-7-11-22)21(3)29-33-17-27(34-29)23-12-8-5-9-13-23/h4-15,17,21,26H,16,18,31H2,1-3H3,(H2,32,36)(H,33,34)/t21-,26-/s2
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0.300n/an/an/an/an/an/an/an/a



Janssen Research and Development, L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to rat mu opioid receptor


Bioorg Med Chem Lett 22: 4869-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.042
BindingDB Entry DOI: 10.7270/Q2F76DP8
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50393721
PNG
(CHEMBL2159114)
Show SMILES CN(Cc1nc(c[nH]1)-c1ccccc1)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C
Show InChI InChI=1/C22H26N4O2/c1-14-9-17(27)10-15(2)18(14)11-19(23)22(28)26(3)13-21-24-12-20(25-21)16-7-5-4-6-8-16/h4-10,12,19,27H,11,13,23H2,1-3H3,(H,24,25)/t19-/s2
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0.300n/an/an/an/an/an/an/an/a



Janssen Research and Development, L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to rat mu opioid receptor


Bioorg Med Chem Lett 22: 4869-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.042
BindingDB Entry DOI: 10.7270/Q2F76DP8
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50182942
PNG
((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-1-((S...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1c1nc(c[nH]1)-c1ccccc1
Show InChI InChI=1S/C29H30N4O2/c1-18-12-23(34)13-19(2)24(18)15-25(30)29(35)33-17-22-11-7-6-10-21(22)14-27(33)28-31-16-26(32-28)20-8-4-3-5-9-20/h3-13,16,25,27,34H,14-15,17,30H2,1-2H3,(H,31,32)/t25-,27-/m0/s1
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0.300n/an/an/an/an/an/an/an/a



Janssen Research and Development, L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to rat mu opioid receptor


Bioorg Med Chem Lett 22: 4869-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.042
BindingDB Entry DOI: 10.7270/Q2F76DP8
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50375298
PNG
(CHEMBL259917)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1nc(c[nH]1)-c1ccccc1
Show InChI InChI=1S/C31H33N5O3/c1-19-12-24(37)13-20(2)25(19)15-26(32)31(39)36-18-23-11-7-6-10-22(23)14-28(36)30(38)34-17-29-33-16-27(35-29)21-8-4-3-5-9-21/h3-13,16,26,28,37H,14-15,17-18,32H2,1-2H3,(H,33,35)(H,34,38)/t26-,28-/m0/s1
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0.443n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Binding affinity to delta opioid receptor in Sprague-Dawley rat brain membrane


Bioorg Med Chem 16: 3032-8 (2008)


Article DOI: 10.1016/j.bmc.2007.12.032
BindingDB Entry DOI: 10.7270/Q2NZ88H7
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50393724
PNG
(CHEMBL2159120)
Show SMILES C[C@H](N(Cc1cccc(c1)C(O)=O)C(=O)[C@@H](N)Cc1c(C)cc(cc1C)C(N)=O)c1nc(c[nH]1)-c1ccccc1
Show InChI InChI=1/C31H33N5O4/c1-18-12-24(28(33)37)13-19(2)25(18)15-26(32)30(38)36(17-21-8-7-11-23(14-21)31(39)40)20(3)29-34-16-27(35-29)22-9-5-4-6-10-22/h4-14,16,20,26H,15,17,32H2,1-3H3,(H2,33,37)(H,34,35)(H,39,40)/t20-,26-/s2
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0.5n/an/an/an/an/an/an/an/a



Janssen Research and Development, L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to rat delta opioid receptor


Bioorg Med Chem Lett 22: 4869-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.042
BindingDB Entry DOI: 10.7270/Q2F76DP8
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50154036
PNG
((S)-2-amino-3-(4-hydroxyphenyl)-1-((S)-3-(4-phenyl...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1c1nc(c[nH]1)-c1ccccc1
Show InChI InChI=1S/C27H26N4O2/c28-23(14-18-10-12-22(32)13-11-18)27(33)31-17-21-9-5-4-8-20(21)15-25(31)26-29-16-24(30-26)19-6-2-1-3-7-19/h1-13,16,23,25,32H,14-15,17,28H2,(H,29,30)/t23-,25-/m0/s1
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0.900n/an/an/an/an/an/an/an/a



Janssen Research and Development, L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to rat delta opioid receptor


Bioorg Med Chem Lett 22: 4869-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.042
BindingDB Entry DOI: 10.7270/Q2F76DP8
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50154036
PNG
((S)-2-amino-3-(4-hydroxyphenyl)-1-((S)-3-(4-phenyl...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1c1nc(c[nH]1)-c1ccccc1
Show InChI InChI=1S/C27H26N4O2/c28-23(14-18-10-12-22(32)13-11-18)27(33)31-17-21-9-5-4-8-20(21)15-25(31)26-29-16-24(30-26)19-6-2-1-3-7-19/h1-13,16,23,25,32H,14-15,17,28H2,(H,29,30)/t23-,25-/m0/s1
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0.900n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in rat brain


Bioorg Med Chem Lett 16: 2505-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.082
BindingDB Entry DOI: 10.7270/Q29G5MDZ
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50393720
PNG
(CHEMBL2159122 | CHEMBL3216329)
Show SMILES Cl.Cl.COc1ccc(CN(C(C)c2nc(c[nH]2)-c2ccccc2)C(=O)C(N)Cc2c(C)cc(cc2C)C(N)=O)cc1C(O)=O
Show InChI InChI=1/C32H35N5O5.2ClH/c1-18-12-23(29(34)38)13-19(2)24(18)15-26(33)31(39)37(17-21-10-11-28(42-4)25(14-21)32(40)41)20(3)30-35-16-27(36-30)22-8-6-5-7-9-22;;/h5-14,16,20,26H,15,17,33H2,1-4H3,(H2,34,38)(H,35,36)(H,40,41);2*1H
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0.900n/an/an/an/an/an/an/an/a



Janssen Research and Development, L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to rat mu opioid receptor


Bioorg Med Chem Lett 22: 4869-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.042
BindingDB Entry DOI: 10.7270/Q2F76DP8
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50154036
PNG
((S)-2-amino-3-(4-hydroxyphenyl)-1-((S)-3-(4-phenyl...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1c1nc(c[nH]1)-c1ccccc1
Show InChI InChI=1S/C27H26N4O2/c28-23(14-18-10-12-22(32)13-11-18)27(33)31-17-21-9-5-4-8-20(21)15-25(31)26-29-16-24(30-26)19-6-2-1-3-7-19/h1-13,16,23,25,32H,14-15,17,28H2,(H,29,30)/t23-,25-/m0/s1
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0.900n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity for delta opioid receptor of rat brain


J Med Chem 47: 5009-20 (2004)


Article DOI: 10.1021/jm030548r
BindingDB Entry DOI: 10.7270/Q2H131GF
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50393724
PNG
(CHEMBL2159120)
Show SMILES C[C@H](N(Cc1cccc(c1)C(O)=O)C(=O)[C@@H](N)Cc1c(C)cc(cc1C)C(N)=O)c1nc(c[nH]1)-c1ccccc1
Show InChI InChI=1/C31H33N5O4/c1-18-12-24(28(33)37)13-19(2)25(18)15-26(32)30(38)36(17-21-8-7-11-23(14-21)31(39)40)20(3)29-34-16-27(35-29)22-9-5-4-6-10-22/h4-14,16,20,26H,15,17,32H2,1-3H3,(H2,33,37)(H,34,35)(H,39,40)/t20-,26-/s2
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1n/an/an/an/an/an/an/an/a



Janssen Research and Development, L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to rat mu opioid receptor


Bioorg Med Chem Lett 22: 4869-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.042
BindingDB Entry DOI: 10.7270/Q2F76DP8
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50393720
PNG
(CHEMBL2159122 | CHEMBL3216329)
Show SMILES Cl.Cl.COc1ccc(CN(C(C)c2nc(c[nH]2)-c2ccccc2)C(=O)C(N)Cc2c(C)cc(cc2C)C(N)=O)cc1C(O)=O
Show InChI InChI=1/C32H35N5O5.2ClH/c1-18-12-23(29(34)38)13-19(2)24(18)15-26(33)31(39)37(17-21-10-11-28(42-4)25(14-21)32(40)41)20(3)30-35-16-27(36-30)22-8-6-5-7-9-22;;/h5-14,16,20,26H,15,17,33H2,1-4H3,(H2,34,38)(H,35,36)(H,40,41);2*1H
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1.30n/an/an/an/an/an/an/an/a



Janssen Research and Development, L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to rat delta opioid receptor


Bioorg Med Chem Lett 22: 4869-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.042
BindingDB Entry DOI: 10.7270/Q2F76DP8
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50393725
PNG
(CHEMBL2159117)
Show SMILES CC(C)N([C@@H](C)c1nc(c[nH]1)-c1ccccc1)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C
Show InChI InChI=1/C25H32N4O2/c1-15(2)29(18(5)24-27-14-23(28-24)19-9-7-6-8-10-19)25(31)22(26)13-21-16(3)11-20(30)12-17(21)4/h6-12,14-15,18,22,30H,13,26H2,1-5H3,(H,27,28)/t18-,22-/s2
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1.40n/an/an/an/an/an/an/an/a



Janssen Research and Development, L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to rat delta opioid receptor


Bioorg Med Chem Lett 22: 4869-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.042
BindingDB Entry DOI: 10.7270/Q2F76DP8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50393720
PNG
(CHEMBL2159122 | CHEMBL3216329)
Show SMILES Cl.Cl.COc1ccc(CN(C(C)c2nc(c[nH]2)-c2ccccc2)C(=O)C(N)Cc2c(C)cc(cc2C)C(N)=O)cc1C(O)=O
Show InChI InChI=1/C32H35N5O5.2ClH/c1-18-12-23(29(34)38)13-19(2)24(18)15-26(33)31(39)37(17-21-10-11-28(42-4)25(14-21)32(40)41)20(3)30-35-16-27(36-30)22-8-6-5-7-9-22;;/h5-14,16,20,26H,15,17,33H2,1-4H3,(H2,34,38)(H,35,36)(H,40,41);2*1H
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1.70n/an/an/an/an/an/an/an/a



Janssen Research and Development, L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to human mu opioid receptor


Bioorg Med Chem Lett 22: 4869-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.042
BindingDB Entry DOI: 10.7270/Q2F76DP8
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50182939
PNG
((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-1-((S...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCCC[C@H]1c1nc(c[nH]1)-c1ccccc1
Show InChI InChI=1S/C25H30N4O2/c1-16-12-19(30)13-17(2)20(16)14-21(26)25(31)29-11-7-6-10-23(29)24-27-15-22(28-24)18-8-4-3-5-9-18/h3-5,8-9,12-13,15,21,23,30H,6-7,10-11,14,26H2,1-2H3,(H,27,28)/t21-,23-/m0/s1
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1.90n/an/an/an/an/an/an/an/a



Janssen Research and Development, L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to rat delta opioid receptor


Bioorg Med Chem Lett 22: 4869-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.042
BindingDB Entry DOI: 10.7270/Q2F76DP8
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50182939
PNG
((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-1-((S...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCCC[C@H]1c1nc(c[nH]1)-c1ccccc1
Show InChI InChI=1S/C25H30N4O2/c1-16-12-19(30)13-17(2)20(16)14-21(26)25(31)29-11-7-6-10-23(29)24-27-15-22(28-24)18-8-4-3-5-9-18/h3-5,8-9,12-13,15,21,23,30H,6-7,10-11,14,26H2,1-2H3,(H,27,28)/t21-,23-/m0/s1
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1.90n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in rat brain


Bioorg Med Chem Lett 16: 2505-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.082
BindingDB Entry DOI: 10.7270/Q29G5MDZ
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50375298
PNG
(CHEMBL259917)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1nc(c[nH]1)-c1ccccc1
Show InChI InChI=1S/C31H33N5O3/c1-19-12-24(37)13-20(2)25(19)15-26(32)31(39)36-18-23-11-7-6-10-22(23)14-28(36)30(38)34-17-29-33-16-27(35-29)21-8-4-3-5-9-21/h3-13,16,26,28,37H,14-15,17-18,32H2,1-2H3,(H,33,35)(H,34,38)/t26-,28-/m0/s1
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6.74n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Binding affinity to mu opioid receptor in Sprague-Dawley rat brain membrane


Bioorg Med Chem 16: 3032-8 (2008)


Article DOI: 10.1016/j.bmc.2007.12.032
BindingDB Entry DOI: 10.7270/Q2NZ88H7
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50393722
PNG
(CHEMBL2159119)
Show SMILES C[C@H](N(Cc1ccccc1)C(=O)[C@@H](N)Cc1c(C)cc(cc1C)C(N)=O)c1nc(c[nH]1)-c1ccccc1
Show InChI InChI=1/C30H33N5O2/c1-19-14-24(28(32)36)15-20(2)25(19)16-26(31)30(37)35(18-22-10-6-4-7-11-22)21(3)29-33-17-27(34-29)23-12-8-5-9-13-23/h4-15,17,21,26H,16,18,31H2,1-3H3,(H2,32,36)(H,33,34)/t21-,26-/s2
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12n/an/an/an/an/an/an/an/a



Janssen Research and Development, L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to rat delta opioid receptor


Bioorg Med Chem Lett 22: 4869-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.042
BindingDB Entry DOI: 10.7270/Q2F76DP8
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50393717
PNG
(CHEMBL2159116)
Show SMILES C[C@H](N(C)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1nc(c[nH]1)-c1ccccc1
Show InChI InChI=1/C23H28N4O2/c1-14-10-18(28)11-15(2)19(14)12-20(24)23(29)27(4)16(3)22-25-13-21(26-22)17-8-6-5-7-9-17/h5-11,13,16,20,28H,12,24H2,1-4H3,(H,25,26)/t16-,20-/s2
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15n/an/an/an/an/an/an/an/a



Janssen Research and Development, L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to rat delta opioid receptor


Bioorg Med Chem Lett 22: 4869-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.042
BindingDB Entry DOI: 10.7270/Q2F76DP8
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50393716
PNG
(CHEMBL2159115)
Show SMILES CC(C)N(Cc1nc(c[nH]1)-c1ccccc1)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C
Show InChI InChI=1/C24H30N4O2/c1-15(2)28(14-23-26-13-22(27-23)18-8-6-5-7-9-18)24(30)21(25)12-20-16(3)10-19(29)11-17(20)4/h5-11,13,15,21,29H,12,14,25H2,1-4H3,(H,26,27)/t21-/s2
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15n/an/an/an/an/an/an/an/a



Janssen Research and Development, L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to rat delta opioid receptor


Bioorg Med Chem Lett 22: 4869-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.042
BindingDB Entry DOI: 10.7270/Q2F76DP8
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50393718
PNG
(CHEMBL2159111)
Show SMILES C[C@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1nc(c[nH]1)-c1ccccc1
Show InChI InChI=1/C22H26N4O2/c1-13-9-17(27)10-14(2)18(13)11-19(23)22(28)25-15(3)21-24-12-20(26-21)16-7-5-4-6-8-16/h4-10,12,15,19,27H,11,23H2,1-3H3,(H,24,26)(H,25,28)/t15-,19-/s2
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17n/an/an/an/an/an/an/an/a



Janssen Research and Development, L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to rat mu opioid receptor


Bioorg Med Chem Lett 22: 4869-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.042
BindingDB Entry DOI: 10.7270/Q2F76DP8
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50154035
PNG
((S)-2-amino-3-(4-hydroxyphenyl)-1-((S)-3-(5-methyl...)
Show SMILES Cc1[nH]c(nc1-c1ccccc1)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C28H28N4O2/c1-18-26(20-7-3-2-4-8-20)31-27(30-18)25-16-21-9-5-6-10-22(21)17-32(25)28(34)24(29)15-19-11-13-23(33)14-12-19/h2-14,24-25,33H,15-17,29H2,1H3,(H,30,31)/t24-,25-/m0/s1
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19n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity for delta opioid receptor of rat brain


J Med Chem 47: 5009-20 (2004)


Article DOI: 10.1021/jm030548r
BindingDB Entry DOI: 10.7270/Q2H131GF
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50154035
PNG
((S)-2-amino-3-(4-hydroxyphenyl)-1-((S)-3-(5-methyl...)
Show SMILES Cc1[nH]c(nc1-c1ccccc1)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C28H28N4O2/c1-18-26(20-7-3-2-4-8-20)31-27(30-18)25-16-21-9-5-6-10-22(21)17-32(25)28(34)24(29)15-19-11-13-23(33)14-12-19/h2-14,24-25,33H,15-17,29H2,1H3,(H,30,31)/t24-,25-/m0/s1
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19n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity for delta opioid receptor of rat brain


J Med Chem 47: 5009-20 (2004)


Article DOI: 10.1021/jm030548r
BindingDB Entry DOI: 10.7270/Q2H131GF
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50154035
PNG
((S)-2-amino-3-(4-hydroxyphenyl)-1-((S)-3-(5-methyl...)
Show SMILES Cc1[nH]c(nc1-c1ccccc1)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C28H28N4O2/c1-18-26(20-7-3-2-4-8-20)31-27(30-18)25-16-21-9-5-6-10-22(21)17-32(25)28(34)24(29)15-19-11-13-23(33)14-12-19/h2-14,24-25,33H,15-17,29H2,1H3,(H,30,31)/t24-,25-/m0/s1
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21n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain


Bioorg Med Chem Lett 16: 2505-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.082
BindingDB Entry DOI: 10.7270/Q29G5MDZ
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50393721
PNG
(CHEMBL2159114)
Show SMILES CN(Cc1nc(c[nH]1)-c1ccccc1)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C
Show InChI InChI=1/C22H26N4O2/c1-14-9-17(27)10-15(2)18(14)11-19(23)22(28)26(3)13-21-24-12-20(25-21)16-7-5-4-6-8-16/h4-10,12,19,27H,11,13,23H2,1-3H3,(H,24,25)/t19-/s2
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26n/an/an/an/an/an/an/an/a



Janssen Research and Development, L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to rat delta opioid receptor


Bioorg Med Chem Lett 22: 4869-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.042
BindingDB Entry DOI: 10.7270/Q2F76DP8
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50182949
PNG
((S)-2-amino-3-(4-methoxyphenyl)-1-((S)-3-(5-methyl...)
Show SMILES COc1ccc(C[C@H](N)C(=O)N2Cc3ccccc3C[C@H]2c2nc(c(C)[nH]2)-c2ccccc2)cc1
Show InChI InChI=1S/C29H30N4O2/c1-19-27(21-8-4-3-5-9-21)32-28(31-19)26-17-22-10-6-7-11-23(22)18-33(26)29(34)25(30)16-20-12-14-24(35-2)15-13-20/h3-15,25-26H,16-18,30H2,1-2H3,(H,31,32)/t25-,26-/m0/s1
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28n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in rat brain


Bioorg Med Chem Lett 16: 2505-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.082
BindingDB Entry DOI: 10.7270/Q29G5MDZ
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50154036
PNG
((S)-2-amino-3-(4-hydroxyphenyl)-1-((S)-3-(4-phenyl...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1c1nc(c[nH]1)-c1ccccc1
Show InChI InChI=1S/C27H26N4O2/c28-23(14-18-10-12-22(32)13-11-18)27(33)31-17-21-9-5-4-8-20(21)15-25(31)26-29-16-24(30-26)19-6-2-1-3-7-19/h1-13,16,23,25,32H,14-15,17,28H2,(H,29,30)/t23-,25-/m0/s1
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55n/an/an/an/an/an/an/an/a



Janssen Research and Development, L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to rat mu opioid receptor


Bioorg Med Chem Lett 22: 4869-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.042
BindingDB Entry DOI: 10.7270/Q2F76DP8
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50154036
PNG
((S)-2-amino-3-(4-hydroxyphenyl)-1-((S)-3-(4-phenyl...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1c1nc(c[nH]1)-c1ccccc1
Show InChI InChI=1S/C27H26N4O2/c28-23(14-18-10-12-22(32)13-11-18)27(33)31-17-21-9-5-4-8-20(21)15-25(31)26-29-16-24(30-26)19-6-2-1-3-7-19/h1-13,16,23,25,32H,14-15,17,28H2,(H,29,30)/t23-,25-/m0/s1
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55n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity for Mu opioid receptor of rat brain


J Med Chem 47: 5009-20 (2004)


Article DOI: 10.1021/jm030548r
BindingDB Entry DOI: 10.7270/Q2H131GF
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50393720
PNG
(CHEMBL2159122 | CHEMBL3216329)
Show SMILES Cl.Cl.COc1ccc(CN(C(C)c2nc(c[nH]2)-c2ccccc2)C(=O)C(N)Cc2c(C)cc(cc2C)C(N)=O)cc1C(O)=O
Show InChI InChI=1/C32H35N5O5.2ClH/c1-18-12-23(29(34)38)13-19(2)24(18)15-26(33)31(39)37(17-21-10-11-28(42-4)25(14-21)32(40)41)20(3)30-35-16-27(36-30)22-8-6-5-7-9-22;;/h5-14,16,20,26H,15,17,33H2,1-4H3,(H2,34,38)(H,35,36)(H,40,41);2*1H
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55n/an/an/an/an/an/an/an/a



Janssen Research and Development, L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to guinea pig kappa opioid receptor


Bioorg Med Chem Lett 22: 4869-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.042
BindingDB Entry DOI: 10.7270/Q2F76DP8
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50154036
PNG
((S)-2-amino-3-(4-hydroxyphenyl)-1-((S)-3-(4-phenyl...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1c1nc(c[nH]1)-c1ccccc1
Show InChI InChI=1S/C27H26N4O2/c28-23(14-18-10-12-22(32)13-11-18)27(33)31-17-21-9-5-4-8-20(21)15-25(31)26-29-16-24(30-26)19-6-2-1-3-7-19/h1-13,16,23,25,32H,14-15,17,28H2,(H,29,30)/t23-,25-/m0/s1
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55n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain


Bioorg Med Chem Lett 16: 2505-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.082
BindingDB Entry DOI: 10.7270/Q29G5MDZ
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50154035
PNG
((S)-2-amino-3-(4-hydroxyphenyl)-1-((S)-3-(5-methyl...)
Show SMILES Cc1[nH]c(nc1-c1ccccc1)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C28H28N4O2/c1-18-26(20-7-3-2-4-8-20)31-27(30-18)25-16-21-9-5-6-10-22(21)17-32(25)28(34)24(29)15-19-11-13-23(33)14-12-19/h2-14,24-25,33H,15-17,29H2,1H3,(H,30,31)/t24-,25-/m0/s1
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86n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity for Mu opioid receptor of rat brain


J Med Chem 47: 5009-20 (2004)


Article DOI: 10.1021/jm030548r
BindingDB Entry DOI: 10.7270/Q2H131GF
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50154035
PNG
((S)-2-amino-3-(4-hydroxyphenyl)-1-((S)-3-(5-methyl...)
Show SMILES Cc1[nH]c(nc1-c1ccccc1)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C28H28N4O2/c1-18-26(20-7-3-2-4-8-20)31-27(30-18)25-16-21-9-5-6-10-22(21)17-32(25)28(34)24(29)15-19-11-13-23(33)14-12-19/h2-14,24-25,33H,15-17,29H2,1H3,(H,30,31)/t24-,25-/m0/s1
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86n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity for Mu opioid receptor of rat brain


J Med Chem 47: 5009-20 (2004)


Article DOI: 10.1021/jm030548r
BindingDB Entry DOI: 10.7270/Q2H131GF
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50154036
PNG
((S)-2-amino-3-(4-hydroxyphenyl)-1-((S)-3-(4-phenyl...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1c1nc(c[nH]1)-c1ccccc1
Show InChI InChI=1S/C27H26N4O2/c28-23(14-18-10-12-22(32)13-11-18)27(33)31-17-21-9-5-4-8-20(21)15-25(31)26-29-16-24(30-26)19-6-2-1-3-7-19/h1-13,16,23,25,32H,14-15,17,28H2,(H,29,30)/t23-,25-/m0/s1
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124n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity for kappa opioid receptor of guinea pig cerebellum


J Med Chem 47: 5009-20 (2004)


Article DOI: 10.1021/jm030548r
BindingDB Entry DOI: 10.7270/Q2H131GF
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50182949
PNG
((S)-2-amino-3-(4-methoxyphenyl)-1-((S)-3-(5-methyl...)
Show SMILES COc1ccc(C[C@H](N)C(=O)N2Cc3ccccc3C[C@H]2c2nc(c(C)[nH]2)-c2ccccc2)cc1
Show InChI InChI=1S/C29H30N4O2/c1-19-27(21-8-4-3-5-9-21)32-28(31-19)26-17-22-10-6-7-11-23(22)18-33(26)29(34)25(30)16-20-12-14-24(35-2)15-13-20/h3-15,25-26H,16-18,30H2,1-2H3,(H,31,32)/t25-,26-/m0/s1
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179n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain


Bioorg Med Chem Lett 16: 2505-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.082
BindingDB Entry DOI: 10.7270/Q29G5MDZ
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50393718
PNG
(CHEMBL2159111)
Show SMILES C[C@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1nc(c[nH]1)-c1ccccc1
Show InChI InChI=1/C22H26N4O2/c1-13-9-17(27)10-14(2)18(13)11-19(23)22(28)25-15(3)21-24-12-20(26-21)16-7-5-4-6-8-16/h4-10,12,15,19,27H,11,23H2,1-3H3,(H,24,26)(H,25,28)/t15-,19-/s2
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708n/an/an/an/an/an/an/an/a



Janssen Research and Development, L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to rat delta opioid receptor


Bioorg Med Chem Lett 22: 4869-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.042
BindingDB Entry DOI: 10.7270/Q2F76DP8
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50393720
PNG
(CHEMBL2159122 | CHEMBL3216329)
Show SMILES Cl.Cl.COc1ccc(CN(C(C)c2nc(c[nH]2)-c2ccccc2)C(=O)C(N)Cc2c(C)cc(cc2C)C(N)=O)cc1C(O)=O
Show InChI InChI=1/C32H35N5O5.2ClH/c1-18-12-23(29(34)38)13-19(2)24(18)15-26(33)31(39)37(17-21-10-11-28(42-4)25(14-21)32(40)41)20(3)30-35-16-27(36-30)22-8-6-5-7-9-22;;/h5-14,16,20,26H,15,17,33H2,1-4H3,(H2,34,38)(H,35,36)(H,40,41);2*1H
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n/an/a>2.00E+4n/an/an/an/an/an/a



Janssen Research and Development, L.L.C.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human liver microsomes


Bioorg Med Chem Lett 22: 4869-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.042
BindingDB Entry DOI: 10.7270/Q2F76DP8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50182942
PNG
((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-1-((S...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1c1nc(c[nH]1)-c1ccccc1
Show InChI InChI=1S/C29H30N4O2/c1-18-12-23(34)13-19(2)24(18)15-25(30)29(35)33-17-22-11-7-6-10-21(22)14-27(33)28-31-16-26(32-28)20-8-4-3-5-9-20/h3-13,16,25,27,34H,14-15,17,30H2,1-2H3,(H,31,32)/t25-,27-/m0/s1
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n/an/an/an/a 27n/an/an/an/a



Janssen Research and Development, L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to human mu opioid receptor


Bioorg Med Chem Lett 22: 4869-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.042
BindingDB Entry DOI: 10.7270/Q2F76DP8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50393724
PNG
(CHEMBL2159120)
Show SMILES C[C@H](N(Cc1cccc(c1)C(O)=O)C(=O)[C@@H](N)Cc1c(C)cc(cc1C)C(N)=O)c1nc(c[nH]1)-c1ccccc1
Show InChI InChI=1/C31H33N5O4/c1-18-12-24(28(33)37)13-19(2)25(18)15-26(32)30(38)36(17-21-8-7-11-23(14-21)31(39)40)20(3)29-34-16-27(35-29)22-9-5-4-6-10-22/h4-14,16,20,26H,15,17,32H2,1-3H3,(H2,33,37)(H,34,35)(H,39,40)/t20-,26-/s2
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n/an/an/an/a 61n/an/an/an/a



Janssen Research and Development, L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to human mu opioid receptor


Bioorg Med Chem Lett 22: 4869-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.042
BindingDB Entry DOI: 10.7270/Q2F76DP8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50182939
PNG
((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-1-((S...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCCC[C@H]1c1nc(c[nH]1)-c1ccccc1
Show InChI InChI=1S/C25H30N4O2/c1-16-12-19(30)13-17(2)20(16)14-21(26)25(31)29-11-7-6-10-23(29)24-27-15-22(28-24)18-8-4-3-5-9-18/h3-5,8-9,12-13,15,21,23,30H,6-7,10-11,14,26H2,1-2H3,(H,27,28)/t21-,23-/m0/s1
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n/an/an/an/a 2n/an/an/an/a



Janssen Research and Development, L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to human mu opioid receptor


Bioorg Med Chem Lett 22: 4869-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.042
BindingDB Entry DOI: 10.7270/Q2F76DP8
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50393720
PNG
(CHEMBL2159122 | CHEMBL3216329)
Show SMILES Cl.Cl.COc1ccc(CN(C(C)c2nc(c[nH]2)-c2ccccc2)C(=O)C(N)Cc2c(C)cc(cc2C)C(N)=O)cc1C(O)=O
Show InChI InChI=1/C32H35N5O5.2ClH/c1-18-12-23(29(34)38)13-19(2)24(18)15-26(33)31(39)37(17-21-10-11-28(42-4)25(14-21)32(40)41)20(3)30-35-16-27(36-30)22-8-6-5-7-9-22;;/h5-14,16,20,26H,15,17,33H2,1-4H3,(H2,34,38)(H,35,36)(H,40,41);2*1H
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n/an/a>1.00E+4n/an/an/an/an/an/a



Janssen Research and Development, L.L.C.

Curated by ChEMBL


Assay Description
Displacement of [3H]-astemizole from human ERG


Bioorg Med Chem Lett 22: 4869-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.042
BindingDB Entry DOI: 10.7270/Q2F76DP8
More data for this
Ligand-Target Pair
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