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11 similar compounds to monomer 50393716

Compile data set for download or QSAR
Wt: 390.4
BDBM50154037
Wt: 418.5
BDBM50182939
Wt: 390.4
BDBM50182953
Wt: 392.4
BDBM50393717
Wt: 378.4
BDBM50393718
Wt: 468.5
BDBM50393719
Wt: 378.4
BDBM50393721
Wt: 420.5
BDBM50393725
Wt: 406.5
BDBM50393726
Wt: 454.5
BDBM50393727
Wt: 350.4
BDBM50393728

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 31 hits for monomerid = 50154037,50182939,50182953,50393717,50393718,50393719,50393721,50393725,50393726,50393727,50393728   
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))
BDBM50393719
PNG
(CHEMBL2159118)
Show SMILES C[C@H](N(Cc1ccccc1)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1nc(c[nH]1)-c1ccccc1
Show InChI InChI=1/C29H32N4O2/c1-19-14-24(34)15-20(2)25(19)16-26(30)29(35)33(18-22-10-6-4-7-11-22)21(3)28-31-17-27(32-28)23-12-8-5-9-13-23/h4-15,17,21,26,34H,16,18,30H2,1-3H3,(H,31,32)/t21-,26-/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))
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



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))
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))
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
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
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50393719
PNG
(CHEMBL2159118)
Show SMILES C[C@H](N(Cc1ccccc1)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1nc(c[nH]1)-c1ccccc1
Show InChI InChI=1/C29H32N4O2/c1-19-14-24(34)15-20(2)25(19)16-26(30)29(35)33(18-22-10-6-4-7-11-22)21(3)28-31-17-27(32-28)23-12-8-5-9-13-23/h4-15,17,21,26,34H,16,18,30H2,1-3H3,(H,31,32)/t21-,26-/s2
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1.5n/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))
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))
BDBM50182953
PNG
((S)-2-amino-3-(4-hydroxyphenyl)-1-((S)-2-(4-phenyl...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCCC[C@H]1c1nc(c[nH]1)-c1ccccc1
Show InChI InChI=1S/C23H26N4O2/c24-19(14-16-9-11-18(28)12-10-16)23(29)27-13-5-4-8-21(27)22-25-15-20(26-22)17-6-2-1-3-7-17/h1-3,6-7,9-12,15,19,21,28H,4-5,8,13-14,24H2,(H,25,26)/t19-,21-/m0/s1
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3.80n/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))
BDBM50393727
PNG
(CHEMBL2159113)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H](Cc1ccccc1)c1nc(c[nH]1)-c1ccccc1
Show InChI InChI=1/C28H30N4O2/c1-18-13-22(33)14-19(2)23(18)16-24(29)28(34)32-25(15-20-9-5-3-6-10-20)27-30-17-26(31-27)21-11-7-4-8-12-21/h3-14,17,24-25,33H,15-16,29H2,1-2H3,(H,30,31)(H,32,34)/t24-,25-/s2
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13n/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))
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
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
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50154037
PNG
(2-Amino-3-(4-hydroxy-phenyl)-1-[2-(5-methyl-4-phen...)
Show SMILES Cc1[nH]c(nc1-c1ccccc1)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C23H26N4O2/c1-15-21(17-6-3-2-4-7-17)26-22(25-15)20-8-5-13-27(20)23(29)19(24)14-16-9-11-18(28)12-10-16/h2-4,6-7,9-12,19-20,28H,5,8,13-14,24H2,1H3,(H,25,26)/t19-,20-/m0/s1
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23n/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
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))
BDBM50154037
PNG
(2-Amino-3-(4-hydroxy-phenyl)-1-[2-(5-methyl-4-phen...)
Show SMILES Cc1[nH]c(nc1-c1ccccc1)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C23H26N4O2/c1-15-21(17-6-3-2-4-7-17)26-22(25-15)20-8-5-13-27(20)23(29)19(24)14-16-9-11-18(28)12-10-16/h2-4,6-7,9-12,19-20,28H,5,8,13-14,24H2,1H3,(H,25,26)/t19-,20-/m0/s1
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>100n/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))
BDBM50393726
PNG
(CHEMBL2159112)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1nc(c[nH]1)-c1ccccc1
Show InChI InChI=1/C24H30N4O2/c1-14(2)22(23-26-13-21(27-23)17-8-6-5-7-9-17)28-24(30)20(25)12-19-15(3)10-18(29)11-16(19)4/h5-11,13-14,20,22,29H,12,25H2,1-4H3,(H,26,27)(H,28,30)/t20-,22-/s2
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121n/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))
BDBM50182953
PNG
((S)-2-amino-3-(4-hydroxyphenyl)-1-((S)-2-(4-phenyl...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCCC[C@H]1c1nc(c[nH]1)-c1ccccc1
Show InChI InChI=1S/C23H26N4O2/c24-19(14-16-9-11-18(28)12-10-16)23(29)27-13-5-4-8-21(27)22-25-15-20(26-22)17-6-2-1-3-7-17/h1-3,6-7,9-12,15,19,21,28H,4-5,8,13-14,24H2,(H,25,26)/t19-,21-/m0/s1
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198n/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))
BDBM50393727
PNG
(CHEMBL2159113)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H](Cc1ccccc1)c1nc(c[nH]1)-c1ccccc1
Show InChI InChI=1/C28H30N4O2/c1-18-13-22(33)14-19(2)23(18)16-24(29)28(34)32-25(15-20-9-5-3-6-10-20)27-30-17-26(31-27)21-11-7-4-8-12-21/h3-14,17,24-25,33H,15-16,29H2,1-2H3,(H,30,31)(H,32,34)/t24-,25-/s2
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255n/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))
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
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50393728
PNG
(CHEMBL2159015)
Show SMILES C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)c1nc(c[nH]1)-c1ccccc1
Show InChI InChI=1/C20H22N4O2/c1-13(19-22-12-18(24-19)15-5-3-2-4-6-15)23-20(26)17(21)11-14-7-9-16(25)10-8-14/h2-10,12-13,17,25H,11,21H2,1H3,(H,22,24)(H,23,26)/t13-,17-/s2
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1.26E+3n/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))
BDBM50393726
PNG
(CHEMBL2159112)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1nc(c[nH]1)-c1ccccc1
Show InChI InChI=1/C24H30N4O2/c1-14(2)22(23-26-13-21(27-23)17-8-6-5-7-9-17)28-24(30)20(25)12-19-15(3)10-18(29)11-16(19)4/h5-11,13-14,20,22,29H,12,25H2,1-4H3,(H,26,27)(H,28,30)/t20-,22-/s2
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5.20E+3n/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))
BDBM50393728
PNG
(CHEMBL2159015)
Show SMILES C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)c1nc(c[nH]1)-c1ccccc1
Show InChI InChI=1/C20H22N4O2/c1-13(19-22-12-18(24-19)15-5-3-2-4-6-15)23-20(26)17(21)11-14-7-9-16(25)10-8-14/h2-10,12-13,17,25H,11,21H2,1H3,(H,22,24)(H,23,26)/t13-,17-/s2
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5.66E+3n/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
Delta-type opioid receptor


(Homo sapiens (Human))
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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n/an/an/an/a 103n/an/an/an/a



Janssen Research and Development, L.L.C.

Curated by ChEMBL


Assay Description
Agonist activity at delta opioid receptor expressed in CHO-hg cells by [35S]-GTPgammaS binding assay


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
Mu-type opioid receptor


(GUINEA PIG)
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



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Activity against mu opioid receptor by stimulation of [35S]GTPgammaS binding in CHO-hgamma cells


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
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
Mu-type opioid receptor


(GUINEA PIG)
BDBM50154037
PNG
(2-Amino-3-(4-hydroxy-phenyl)-1-[2-(5-methyl-4-phen...)
Show SMILES Cc1[nH]c(nc1-c1ccccc1)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C23H26N4O2/c1-15-21(17-6-3-2-4-7-17)26-22(25-15)20-8-5-13-27(20)23(29)19(24)14-16-9-11-18(28)12-10-16/h2-4,6-7,9-12,19-20,28H,5,8,13-14,24H2,1H3,(H,25,26)/t19-,20-/m0/s1
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n/an/an/an/a 1.30E+3n/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of mu opioid receptor mediated GTPgammaS binding to CHO cell membranes


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
Delta-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 37n/an/an/an/a



Janssen Research and Development, L.L.C.

Curated by ChEMBL


Assay Description
Agonist activity at delta opioid receptor expressed in CHO-hg cells by [35S]-GTPgammaS binding assay


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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50393719
PNG
(CHEMBL2159118)
Show SMILES C[C@H](N(Cc1ccccc1)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1nc(c[nH]1)-c1ccccc1
Show InChI InChI=1/C29H32N4O2/c1-19-14-24(34)15-20(2)25(19)16-26(30)29(35)33(18-22-10-6-4-7-11-22)21(3)28-31-17-27(32-28)23-12-8-5-9-13-23/h4-15,17,21,26,34H,16,18,30H2,1-3H3,(H,31,32)/t21-,26-/s2
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n/an/an/an/a 20n/an/an/an/a



Janssen Research and Development, L.L.C.

Curated by ChEMBL


Assay Description
Agonist activity at delta opioid receptor expressed in CHO-hg cells by [35S]-GTPgammaS binding assay


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
Delta-type opioid receptor


(MOUSE)
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 37n/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Activity against delta opioid receptor by stimulation of [35S]GTPgammaS binding in CHO-hgamma cells


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