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Compile Data Set for Download or QSAR

Found 83 hits with Last Name = 'feliciani' and Initial = 'f'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50295263
PNG
((S)-N-((S)-1-((S)-1-amino-1-oxo-3-phenylpropan-2-y...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C33H36N6O5/c34-25(16-21-10-12-23(40)13-11-21)33(44)39-15-14-29(39)32(43)38-28(18-22-19-36-26-9-5-4-8-24(22)26)31(42)37-27(30(35)41)17-20-6-2-1-3-7-20/h1-13,19,25,27-29,36,40H,14-18,34H2,(H2,35,41)(H,37,42)(H,38,43)/t25-,27-,28-,29-/m0/s1
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2.30n/an/an/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane by liquid scintillation counting


Bioorg Med Chem Lett 19: 4115-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.008
BindingDB Entry DOI: 10.7270/Q2ZS2WJX
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50295264
PNG
((S)-N-((S)-1-((S)-1-amino-1-oxo-3-phenylpropan-2-y...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C31H35N5O5/c32-24(17-22-11-13-23(37)14-12-22)31(41)36-16-15-27(36)30(40)35-26(19-21-9-5-2-6-10-21)29(39)34-25(28(33)38)18-20-7-3-1-4-8-20/h1-14,24-27,37H,15-19,32H2,(H2,33,38)(H,34,39)(H,35,40)/t24-,25-,26-,27-/m0/s1
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5.60n/an/an/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane by liquid scintillation counting


Bioorg Med Chem Lett 19: 4115-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.008
BindingDB Entry DOI: 10.7270/Q2ZS2WJX
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50295262
PNG
((S)-N-((S)-1-((S)-1-amino-1-oxo-3-phenylpropan-2-y...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CC=C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r,c:15|
Show InChI InChI=1S/C32H35N5O5/c33-25(18-23-13-15-24(38)16-14-23)32(42)37-17-7-12-28(37)31(41)36-27(20-22-10-5-2-6-11-22)30(40)35-26(29(34)39)19-21-8-3-1-4-9-21/h1-16,25-28,38H,17-20,33H2,(H2,34,39)(H,35,40)(H,36,41)/t25-,26-,27-,28-/m0/s1
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6.5n/an/an/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane by liquid scintillation counting


Bioorg Med Chem Lett 19: 4115-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.008
BindingDB Entry DOI: 10.7270/Q2ZS2WJX
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50139013
PNG
((S)-1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyl]...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C32H37N5O5/c33-25(18-23-13-15-24(38)16-14-23)32(42)37-17-7-12-28(37)31(41)36-27(20-22-10-5-2-6-11-22)30(40)35-26(29(34)39)19-21-8-3-1-4-9-21/h1-6,8-11,13-16,25-28,38H,7,12,17-20,33H2,(H2,34,39)(H,35,40)(H,36,41)/t25-,26-,27-,28-/m0/s1
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8.23n/an/an/an/an/an/an/an/a



"Sapienza" Università di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane after 3 hrs by liquid scintillation counting


Eur J Med Chem 45: 4594-600 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.022
BindingDB Entry DOI: 10.7270/Q2KK9C0Q
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50320022
PNG
((S)-1-((S)-2-amino-3-(4-hydroxyphenyl)propanoyl)-N...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N\C(=C/c1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C32H35N5O5/c33-25(18-23-13-15-24(38)16-14-23)32(42)37-17-7-12-28(37)31(41)36-27(20-22-10-5-2-6-11-22)30(40)35-26(29(34)39)19-21-8-3-1-4-9-21/h1-6,8-11,13-16,19,25,27-28,38H,7,12,17-18,20,33H2,(H2,34,39)(H,35,40)(H,36,41)/b26-19-/t25-,27-,28-/m0/s1
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8.40n/an/an/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from rat mu opioid receptor expressed in mouse HN9.10 cells


J Med Chem 53: 4550-4 (2010)


Article DOI: 10.1021/jm1001343
BindingDB Entry DOI: 10.7270/Q23F4PTK
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50139013
PNG
((S)-1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyl]...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C32H37N5O5/c33-25(18-23-13-15-24(38)16-14-23)32(42)37-17-7-12-28(37)31(41)36-27(20-22-10-5-2-6-11-22)30(40)35-26(29(34)39)19-21-8-3-1-4-9-21/h1-6,8-11,13-16,25-28,38H,7,12,17-20,33H2,(H2,34,39)(H,35,40)(H,36,41)/t25-,26-,27-,28-/m0/s1
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9.56n/an/an/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane by liquid scintillation counting


Bioorg Med Chem Lett 19: 4115-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.008
BindingDB Entry DOI: 10.7270/Q2ZS2WJX
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50139013
PNG
((S)-1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyl]...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C32H37N5O5/c33-25(18-23-13-15-24(38)16-14-23)32(42)37-17-7-12-28(37)31(41)36-27(20-22-10-5-2-6-11-22)30(40)35-26(29(34)39)19-21-8-3-1-4-9-21/h1-6,8-11,13-16,25-28,38H,7,12,17-20,33H2,(H2,34,39)(H,35,40)(H,36,41)/t25-,26-,27-,28-/m0/s1
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9.60n/an/an/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from rat mu opioid receptor expressed in mouse HN9.10 cells


J Med Chem 53: 4550-4 (2010)


Article DOI: 10.1021/jm1001343
BindingDB Entry DOI: 10.7270/Q23F4PTK
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50095155
PNG
((S)-1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyl]...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C34H38N6O5/c35-26(17-22-12-14-24(41)15-13-22)34(45)40-16-6-11-30(40)33(44)39-29(19-23-20-37-27-10-5-4-9-25(23)27)32(43)38-28(31(36)42)18-21-7-2-1-3-8-21/h1-5,7-10,12-15,20,26,28-30,37,41H,6,11,16-19,35H2,(H2,36,42)(H,38,43)(H,39,44)/t26-,28-,29-,30-/m0/s1
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10.7n/an/an/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane by liquid scintillation counting


Bioorg Med Chem Lett 19: 4115-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.008
BindingDB Entry DOI: 10.7270/Q2ZS2WJX
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50326889
PNG
((S)-N-((S)-1-amino-1-oxo-3-phenylpropan-2-yl)-2-((...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CC[C@@H](C1)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C31H37N5O6S/c32-26(17-23-11-13-24(37)14-12-23)31(40)36-16-15-25(20-36)43(41,42)35-28(19-22-9-5-2-6-10-22)30(39)34-27(29(33)38)18-21-7-3-1-4-8-21/h1-14,25-28,35,37H,15-20,32H2,(H2,33,38)(H,34,39)/t25-,26-,27-,28-/m0/s1
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19n/an/an/an/an/an/an/an/a



"Sapienza" Università di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane after 3 hrs by liquid scintillation counting


Eur J Med Chem 45: 4594-600 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.022
BindingDB Entry DOI: 10.7270/Q2KK9C0Q
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50326886
PNG
((R)-1-((S)-2-(2-((R)-1-((S)-2-amino-3-(4-hydroxyph...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@@H]1CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(N)=O |r|
Show InChI InChI=1S/C29H37N5O5/c30-23(16-20-10-12-22(35)13-11-20)28(38)33-14-4-8-21(33)18-26(36)32-24(17-19-6-2-1-3-7-19)29(39)34-15-5-9-25(34)27(31)37/h1-3,6-7,10-13,21,23-25,35H,4-5,8-9,14-18,30H2,(H2,31,37)(H,32,36)/t21-,23+,24+,25-/m1/s1
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30n/an/an/an/an/an/an/an/a



"Sapienza" Università di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane after 3 hrs by liquid scintillation counting


Eur J Med Chem 45: 4594-600 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.022
BindingDB Entry DOI: 10.7270/Q2KK9C0Q
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50295261
PNG
(CHEMBL549770 | N-((S)-1-((S)-1-amino-1-oxo-3-pheny...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)NC(=C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C30H33N5O5/c1-19(33-29(39)24(31)16-22-12-14-23(36)15-13-22)28(38)35-26(18-21-10-6-3-7-11-21)30(40)34-25(27(32)37)17-20-8-4-2-5-9-20/h2-15,24-26,36H,1,16-18,31H2,(H2,32,37)(H,33,39)(H,34,40)(H,35,38)/t24-,25-,26-/m0/s1
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34n/an/an/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane by liquid scintillation counting


Bioorg Med Chem Lett 19: 4115-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.008
BindingDB Entry DOI: 10.7270/Q2ZS2WJX
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50295265
PNG
(CHEMBL540482 | N-((S)-1-((S)-1-amino-1-oxo-3-pheny...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CC(C1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C33H36N6O5/c34-26(14-21-10-12-24(40)13-11-21)33(44)39-18-23(19-39)31(42)38-29(16-22-17-36-27-9-5-4-8-25(22)27)32(43)37-28(30(35)41)15-20-6-2-1-3-7-20/h1-13,17,23,26,28-29,36,40H,14-16,18-19,34H2,(H2,35,41)(H,37,43)(H,38,42)/t26-,28-,29-/m0/s1
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34n/an/an/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane by liquid scintillation counting


Bioorg Med Chem Lett 19: 4115-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.008
BindingDB Entry DOI: 10.7270/Q2ZS2WJX
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50295265
PNG
(CHEMBL540482 | N-((S)-1-((S)-1-amino-1-oxo-3-pheny...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CC(C1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C33H36N6O5/c34-26(14-21-10-12-24(40)13-11-21)33(44)39-18-23(19-39)31(42)38-29(16-22-17-36-27-9-5-4-8-25(22)27)32(43)37-28(30(35)41)15-20-6-2-1-3-7-20/h1-13,17,23,26,28-29,36,40H,14-16,18-19,34H2,(H2,35,41)(H,37,43)(H,38,42)/t26-,28-,29-/m0/s1
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40n/an/an/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDE from delta opioid receptor in rat brain membrane by liquid scintillation counting


Bioorg Med Chem Lett 19: 4115-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.008
BindingDB Entry DOI: 10.7270/Q2ZS2WJX
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50326885
PNG
((S)-N-((S)-1-amino-1-oxo-3-phenylpropan-2-yl)-2-(2...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C33H39N5O5/c34-27(18-24-13-15-26(39)16-14-24)33(43)38-17-7-12-25(38)21-30(40)36-29(20-23-10-5-2-6-11-23)32(42)37-28(31(35)41)19-22-8-3-1-4-9-22/h1-6,8-11,13-16,25,27-29,39H,7,12,17-21,34H2,(H2,35,41)(H,36,40)(H,37,42)/t25-,27-,28-,29-/m0/s1
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58n/an/an/an/an/an/an/an/a



"Sapienza" Università di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane after 3 hrs by liquid scintillation counting


Eur J Med Chem 45: 4594-600 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.022
BindingDB Entry DOI: 10.7270/Q2KK9C0Q
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50326888
PNG
((S)-N-((S)-1-amino-1-oxo-3-phenylpropan-2-yl)-2-((...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CC[C@H](C1)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C31H37N5O6S/c32-26(17-23-11-13-24(37)14-12-23)31(40)36-16-15-25(20-36)43(41,42)35-28(19-22-9-5-2-6-10-22)30(39)34-27(29(33)38)18-21-7-3-1-4-8-21/h1-14,25-28,35,37H,15-20,32H2,(H2,33,38)(H,34,39)/t25-,26+,27+,28+/m1/s1
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63n/an/an/an/an/an/an/an/a



"Sapienza" Università di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane after 3 hrs by liquid scintillation counting


Eur J Med Chem 45: 4594-600 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.022
BindingDB Entry DOI: 10.7270/Q2KK9C0Q
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50326883
PNG
((S)-N-((S)-1-amino-1-oxo-3-phenylpropan-2-yl)-2-((...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1CS(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C32H39N5O6S/c33-27(18-24-13-15-26(38)16-14-24)32(41)37-17-7-12-25(37)21-44(42,43)36-29(20-23-10-5-2-6-11-23)31(40)35-28(30(34)39)19-22-8-3-1-4-9-22/h1-6,8-11,13-16,25,27-29,36,38H,7,12,17-21,33H2,(H2,34,39)(H,35,40)/t25-,27-,28-,29-/m0/s1
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100n/an/an/an/an/an/an/an/a



"Sapienza" Università di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane after 3 hrs by liquid scintillation counting


Eur J Med Chem 45: 4594-600 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.022
BindingDB Entry DOI: 10.7270/Q2KK9C0Q
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50320023
PNG
((S)-1-((S)-2-amino-3-(4-hydroxyphenyl)propanoyl)-N...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N\C(=C/c1ccccc1)C(=O)N\C(=C/c1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C32H33N5O5/c33-25(18-23-13-15-24(38)16-14-23)32(42)37-17-7-12-28(37)31(41)36-27(20-22-10-5-2-6-11-22)30(40)35-26(29(34)39)19-21-8-3-1-4-9-21/h1-6,8-11,13-16,19-20,25,28,38H,7,12,17-18,33H2,(H2,34,39)(H,35,40)(H,36,41)/b26-19-,27-20-/t25-,28-/m0/s1
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130n/an/an/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from rat mu opioid receptor expressed in mouse HN9.10 cells


J Med Chem 53: 4550-4 (2010)


Article DOI: 10.1021/jm1001343
BindingDB Entry DOI: 10.7270/Q23F4PTK
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50166066
PNG
(CHEMBL362991 | H-Tyr-Pro-Phe-Pro-NH2 | MORPHICEPTI...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(N)=O |r|
Show InChI InChI=1S/C28H35N5O5/c29-21(16-19-10-12-20(34)13-11-19)27(37)33-15-5-9-24(33)26(36)31-22(17-18-6-2-1-3-7-18)28(38)32-14-4-8-23(32)25(30)35/h1-3,6-7,10-13,21-24,34H,4-5,8-9,14-17,29H2,(H2,30,35)(H,31,36)/t21-,22-,23-,24-/m0/s1
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135n/an/an/an/an/an/an/an/a



"Sapienza" Università di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane after 3 hrs by liquid scintillation counting


Eur J Med Chem 45: 4594-600 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.022
BindingDB Entry DOI: 10.7270/Q2KK9C0Q
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50320024
PNG
((S)-N-(3-((S)-1-amino-1-oxo-3-phenylpropan-2-ylami...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N\C(=C/c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C32H35N5O5/c33-25(18-23-13-15-24(38)16-14-23)32(42)37-17-7-12-28(37)31(41)36-27(20-22-10-5-2-6-11-22)30(40)35-26(29(34)39)19-21-8-3-1-4-9-21/h1-6,8-11,13-16,20,25-26,28,38H,7,12,17-19,33H2,(H2,34,39)(H,35,40)(H,36,41)/b27-20-/t25-,26-,28-/m0/s1
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200n/an/an/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from rat mu opioid receptor expressed in mouse HN9.10 cells


J Med Chem 53: 4550-4 (2010)


Article DOI: 10.1021/jm1001343
BindingDB Entry DOI: 10.7270/Q23F4PTK
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50295260
PNG
(CHEMBL564939 | N-((S)-1-((S)-1-amino-1-oxo-3-pheny...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CC(C1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C31H35N5O5/c32-25(15-22-11-13-24(37)14-12-22)31(41)36-18-23(19-36)29(39)35-27(17-21-9-5-2-6-10-21)30(40)34-26(28(33)38)16-20-7-3-1-4-8-20/h1-14,23,25-27,37H,15-19,32H2,(H2,33,38)(H,34,40)(H,35,39)/t25-,26-,27-/m0/s1
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210n/an/an/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane by liquid scintillation counting


Bioorg Med Chem Lett 19: 4115-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.008
BindingDB Entry DOI: 10.7270/Q2ZS2WJX
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50326884
PNG
((S)-N-((S)-1-amino-1-oxo-3-phenylpropan-2-yl)-2-(2...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@@H]1CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C33H39N5O5/c34-27(18-24-13-15-26(39)16-14-24)33(43)38-17-7-12-25(38)21-30(40)36-29(20-23-10-5-2-6-11-23)32(42)37-28(31(35)41)19-22-8-3-1-4-9-22/h1-6,8-11,13-16,25,27-29,39H,7,12,17-21,34H2,(H2,35,41)(H,36,40)(H,37,42)/t25-,27+,28+,29+/m1/s1
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293n/an/an/an/an/an/an/an/a



"Sapienza" Università di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane after 3 hrs by liquid scintillation counting


Eur J Med Chem 45: 4594-600 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.022
BindingDB Entry DOI: 10.7270/Q2KK9C0Q
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50386560
PNG
(CHEMBL2048250)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1C[C@@H](N)C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C32H38N6O5/c33-23-18-28(38(19-23)32(43)25(34)15-22-11-13-24(39)14-12-22)31(42)37-27(17-21-9-5-2-6-10-21)30(41)36-26(29(35)40)16-20-7-3-1-4-8-20/h1-14,23,25-28,39H,15-19,33-34H2,(H2,35,40)(H,36,41)(H,37,42)/t23-,25-,26-,27-,28-/m0/s1
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310n/an/an/an/an/an/an/an/a



Universit£ di Chieti-Pescara G. d'Annunzio

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from rat mu opioid receptor expressed in HN9.10 cells after 3 hrs by scintillation counting


J Med Chem 55: 3027-35 (2012)


Article DOI: 10.1021/jm201402v
BindingDB Entry DOI: 10.7270/Q2571D38
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50326890
PNG
((S)-N-((S)-1-amino-1-oxo-3-phenylpropan-2-yl)-2-((...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@@H]1CS(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C32H39N5O6S/c33-27(18-24-13-15-26(38)16-14-24)32(41)37-17-7-12-25(37)21-44(42,43)36-29(20-23-10-5-2-6-11-23)31(40)35-28(30(34)39)19-22-8-3-1-4-9-22/h1-6,8-11,13-16,25,27-29,36,38H,7,12,17-21,33H2,(H2,34,39)(H,35,40)/t25-,27+,28+,29+/m1/s1
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510n/an/an/an/an/an/an/an/a



"Sapienza" Università di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane after 3 hrs by liquid scintillation counting


Eur J Med Chem 45: 4594-600 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.022
BindingDB Entry DOI: 10.7270/Q2KK9C0Q
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50386559
PNG
(CHEMBL2048248)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1C[C@@H]2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N2 |r|
Show InChI InChI=1S/C32H35N5O5/c33-25(15-22-11-13-24(38)14-12-22)32(42)37-19-23-18-28(37)31(41)36-27(17-21-9-5-2-6-10-21)30(40)35-26(29(39)34-23)16-20-7-3-1-4-8-20/h1-14,23,25-28,38H,15-19,33H2,(H,34,39)(H,35,40)(H,36,41)/t23-,25-,26-,27-,28-/m0/s1
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660n/an/an/an/an/an/an/an/a



Universit£ di Chieti-Pescara G. d'Annunzio

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from rat mu opioid receptor expressed in HN9.10 cells after 3 hrs by scintillation counting


J Med Chem 55: 3027-35 (2012)


Article DOI: 10.1021/jm201402v
BindingDB Entry DOI: 10.7270/Q2571D38
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50295261
PNG
(CHEMBL549770 | N-((S)-1-((S)-1-amino-1-oxo-3-pheny...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)NC(=C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C30H33N5O5/c1-19(33-29(39)24(31)16-22-12-14-23(36)15-13-22)28(38)35-26(18-21-10-6-3-7-11-21)30(40)34-25(27(32)37)17-20-8-4-2-5-9-20/h2-15,24-26,36H,1,16-18,31H2,(H2,32,37)(H,33,39)(H,34,40)(H,35,38)/t24-,25-,26-/m0/s1
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710n/an/an/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDE from delta opioid receptor in rat brain membrane by liquid scintillation counting


Bioorg Med Chem Lett 19: 4115-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.008
BindingDB Entry DOI: 10.7270/Q2ZS2WJX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50326885
PNG
((S)-N-((S)-1-amino-1-oxo-3-phenylpropan-2-yl)-2-(2...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C33H39N5O5/c34-27(18-24-13-15-26(39)16-14-24)33(43)38-17-7-12-25(38)21-30(40)36-29(20-23-10-5-2-6-11-23)32(42)37-28(31(35)41)19-22-8-3-1-4-9-22/h1-6,8-11,13-16,25,27-29,39H,7,12,17-21,34H2,(H2,35,41)(H,36,40)(H,37,42)/t25-,27-,28-,29-/m0/s1
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990n/an/an/an/an/an/an/an/a



"Sapienza" Università di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from kappa opioid receptor in rat brain membrane after 3 hrs by liquid scintillation counting


Eur J Med Chem 45: 4594-600 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.022
BindingDB Entry DOI: 10.7270/Q2KK9C0Q
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50386561
PNG
(CHEMBL2048249)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1C[C@@H](N)C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C32H37N5O6/c33-23-18-28(37(19-23)31(41)25(34)15-22-11-13-24(38)14-12-22)30(40)35-26(16-20-7-3-1-4-8-20)29(39)36-27(32(42)43)17-21-9-5-2-6-10-21/h1-14,23,25-28,38H,15-19,33-34H2,(H,35,40)(H,36,39)(H,42,43)/t23-,25-,26-,27-,28-/m0/s1
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2.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Chieti-Pescara G. d'Annunzio

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from rat mu opioid receptor expressed in HN9.10 cells after 3 hrs by scintillation counting


J Med Chem 55: 3027-35 (2012)


Article DOI: 10.1021/jm201402v
BindingDB Entry DOI: 10.7270/Q2571D38
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50326889
PNG
((S)-N-((S)-1-amino-1-oxo-3-phenylpropan-2-yl)-2-((...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CC[C@@H](C1)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C31H37N5O6S/c32-26(17-23-11-13-24(37)14-12-23)31(40)36-16-15-25(20-36)43(41,42)35-28(19-22-9-5-2-6-10-22)30(39)34-27(29(33)38)18-21-7-3-1-4-8-21/h1-14,25-28,35,37H,15-20,32H2,(H2,33,38)(H,34,39)/t25-,26-,27-,28-/m0/s1
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3.40E+3n/an/an/an/an/an/an/an/a



"Sapienza" Università di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from kappa opioid receptor in rat brain membrane after 3 hrs by liquid scintillation counting


Eur J Med Chem 45: 4594-600 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.022
BindingDB Entry DOI: 10.7270/Q2KK9C0Q
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50295263
PNG
((S)-N-((S)-1-((S)-1-amino-1-oxo-3-phenylpropan-2-y...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C33H36N6O5/c34-25(16-21-10-12-23(40)13-11-21)33(44)39-15-14-29(39)32(43)38-28(18-22-19-36-26-9-5-4-8-24(22)26)31(42)37-27(30(35)41)17-20-6-2-1-3-7-20/h1-13,19,25,27-29,36,40H,14-18,34H2,(H2,35,41)(H,37,42)(H,38,43)/t25-,27-,28-,29-/m0/s1
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3.50E+3n/an/an/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDE from delta opioid receptor in rat brain membrane by liquid scintillation counting


Bioorg Med Chem Lett 19: 4115-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.008
BindingDB Entry DOI: 10.7270/Q2ZS2WJX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50326887
PNG
((R)-1-((S)-2-(2-((S)-1-((S)-2-amino-3-(4-hydroxyph...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(N)=O |r|
Show InChI InChI=1S/C29H37N5O5/c30-23(16-20-10-12-22(35)13-11-20)28(38)33-14-4-8-21(33)18-26(36)32-24(17-19-6-2-1-3-7-19)29(39)34-15-5-9-25(34)27(31)37/h1-3,6-7,10-13,21,23-25,35H,4-5,8-9,14-18,30H2,(H2,31,37)(H,32,36)/t21-,23-,24-,25+/m0/s1
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4.40E+3n/an/an/an/an/an/an/an/a



"Sapienza" Università di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from kappa opioid receptor in rat brain membrane after 3 hrs by liquid scintillation counting


Eur J Med Chem 45: 4594-600 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.022
BindingDB Entry DOI: 10.7270/Q2KK9C0Q
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50326883
PNG
((S)-N-((S)-1-amino-1-oxo-3-phenylpropan-2-yl)-2-((...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1CS(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C32H39N5O6S/c33-27(18-24-13-15-26(38)16-14-24)32(41)37-17-7-12-25(37)21-44(42,43)36-29(20-23-10-5-2-6-11-23)31(40)35-28(30(34)39)19-22-8-3-1-4-9-22/h1-6,8-11,13-16,25,27-29,36,38H,7,12,17-21,33H2,(H2,34,39)(H,35,40)/t25-,27-,28-,29-/m0/s1
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4.80E+3n/an/an/an/an/an/an/an/a



"Sapienza" Università di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from kappa opioid receptor in rat brain membrane after 3 hrs by liquid scintillation counting


Eur J Med Chem 45: 4594-600 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.022
BindingDB Entry DOI: 10.7270/Q2KK9C0Q
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50295264
PNG
((S)-N-((S)-1-((S)-1-amino-1-oxo-3-phenylpropan-2-y...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C31H35N5O5/c32-24(17-22-11-13-23(37)14-12-22)31(41)36-16-15-27(36)30(40)35-26(19-21-9-5-2-6-10-21)29(39)34-25(28(33)38)18-20-7-3-1-4-8-20/h1-14,24-27,37H,15-19,32H2,(H2,33,38)(H,34,39)(H,35,40)/t24-,25-,26-,27-/m0/s1
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5.10E+3n/an/an/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDE from delta opioid receptor in rat brain membrane by liquid scintillation counting


Bioorg Med Chem Lett 19: 4115-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.008
BindingDB Entry DOI: 10.7270/Q2ZS2WJX
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50326887
PNG
((R)-1-((S)-2-(2-((S)-1-((S)-2-amino-3-(4-hydroxyph...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(N)=O |r|
Show InChI InChI=1S/C29H37N5O5/c30-23(16-20-10-12-22(35)13-11-20)28(38)33-14-4-8-21(33)18-26(36)32-24(17-19-6-2-1-3-7-19)29(39)34-15-5-9-25(34)27(31)37/h1-3,6-7,10-13,21,23-25,35H,4-5,8-9,14-18,30H2,(H2,31,37)(H,32,36)/t21-,23-,24-,25+/m0/s1
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6.10E+3n/an/an/an/an/an/an/an/a



"Sapienza" Università di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane after 3 hrs by liquid scintillation counting


Eur J Med Chem 45: 4594-600 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.022
BindingDB Entry DOI: 10.7270/Q2KK9C0Q
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50326890
PNG
((S)-N-((S)-1-amino-1-oxo-3-phenylpropan-2-yl)-2-((...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@@H]1CS(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C32H39N5O6S/c33-27(18-24-13-15-26(38)16-14-24)32(41)37-17-7-12-25(37)21-44(42,43)36-29(20-23-10-5-2-6-11-23)31(40)35-28(30(34)39)19-22-8-3-1-4-9-22/h1-6,8-11,13-16,25,27-29,36,38H,7,12,17-21,33H2,(H2,34,39)(H,35,40)/t25-,27+,28+,29+/m1/s1
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6.30E+3n/an/an/an/an/an/an/an/a



"Sapienza" Università di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from kappa opioid receptor in rat brain membrane after 3 hrs by liquid scintillation counting


Eur J Med Chem 45: 4594-600 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.022
BindingDB Entry DOI: 10.7270/Q2KK9C0Q
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50295260
PNG
(CHEMBL564939 | N-((S)-1-((S)-1-amino-1-oxo-3-pheny...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CC(C1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C31H35N5O5/c32-25(15-22-11-13-24(37)14-12-22)31(41)36-18-23(19-36)29(39)35-27(17-21-9-5-2-6-10-21)30(40)34-26(28(33)38)16-20-7-3-1-4-8-20/h1-14,23,25-27,37H,15-19,32H2,(H2,33,38)(H,34,40)(H,35,39)/t25-,26-,27-/m0/s1
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6.90E+3n/an/an/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDE from delta opioid receptor in rat brain membrane by liquid scintillation counting


Bioorg Med Chem Lett 19: 4115-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.008
BindingDB Entry DOI: 10.7270/Q2ZS2WJX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50326888
PNG
((S)-N-((S)-1-amino-1-oxo-3-phenylpropan-2-yl)-2-((...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CC[C@H](C1)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C31H37N5O6S/c32-26(17-23-11-13-24(37)14-12-23)31(40)36-16-15-25(20-36)43(41,42)35-28(19-22-9-5-2-6-10-22)30(39)34-27(29(33)38)18-21-7-3-1-4-8-21/h1-14,25-28,35,37H,15-20,32H2,(H2,33,38)(H,34,39)/t25-,26+,27+,28+/m1/s1
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7.10E+3n/an/an/an/an/an/an/an/a



"Sapienza" Università di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from kappa opioid receptor in rat brain membrane after 3 hrs by liquid scintillation counting


Eur J Med Chem 45: 4594-600 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.022
BindingDB Entry DOI: 10.7270/Q2KK9C0Q
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50320023
PNG
((S)-1-((S)-2-amino-3-(4-hydroxyphenyl)propanoyl)-N...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N\C(=C/c1ccccc1)C(=O)N\C(=C/c1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C32H33N5O5/c33-25(18-23-13-15-24(38)16-14-23)32(42)37-17-7-12-28(37)31(41)36-27(20-22-10-5-2-6-11-22)30(40)35-26(29(34)39)19-21-8-3-1-4-9-21/h1-6,8-11,13-16,19-20,25,28,38H,7,12,17-18,33H2,(H2,34,39)(H,35,40)(H,36,41)/b26-19-,27-20-/t25-,28-/m0/s1
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7.30E+3n/an/an/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human delta opioid receptor expressed in HEK293 cells


J Med Chem 53: 4550-4 (2010)


Article DOI: 10.1021/jm1001343
BindingDB Entry DOI: 10.7270/Q23F4PTK
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50320022
PNG
((S)-1-((S)-2-amino-3-(4-hydroxyphenyl)propanoyl)-N...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N\C(=C/c1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C32H35N5O5/c33-25(18-23-13-15-24(38)16-14-23)32(42)37-17-7-12-28(37)31(41)36-27(20-22-10-5-2-6-11-22)30(40)35-26(29(34)39)19-21-8-3-1-4-9-21/h1-6,8-11,13-16,19,25,27-28,38H,7,12,17-18,20,33H2,(H2,34,39)(H,35,40)(H,36,41)/b26-19-/t25-,27-,28-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human delta opioid receptor expressed in HEK293 cells


J Med Chem 53: 4550-4 (2010)


Article DOI: 10.1021/jm1001343
BindingDB Entry DOI: 10.7270/Q23F4PTK
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50326886
PNG
((R)-1-((S)-2-(2-((R)-1-((S)-2-amino-3-(4-hydroxyph...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@@H]1CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(N)=O |r|
Show InChI InChI=1S/C29H37N5O5/c30-23(16-20-10-12-22(35)13-11-20)28(38)33-14-4-8-21(33)18-26(36)32-24(17-19-6-2-1-3-7-19)29(39)34-15-5-9-25(34)27(31)37/h1-3,6-7,10-13,21,23-25,35H,4-5,8-9,14-18,30H2,(H2,31,37)(H,32,36)/t21-,23+,24+,25-/m1/s1
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1.00E+4n/an/an/an/an/an/an/an/a



"Sapienza" Università di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from kappa opioid receptor in rat brain membrane after 3 hrs by liquid scintillation counting


Eur J Med Chem 45: 4594-600 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.022
BindingDB Entry DOI: 10.7270/Q2KK9C0Q
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50326884
PNG
((S)-N-((S)-1-amino-1-oxo-3-phenylpropan-2-yl)-2-(2...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@@H]1CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C33H39N5O5/c34-27(18-24-13-15-26(39)16-14-24)33(43)38-17-7-12-25(38)21-30(40)36-29(20-23-10-5-2-6-11-23)32(42)37-28(31(35)41)19-22-8-3-1-4-9-22/h1-6,8-11,13-16,25,27-29,39H,7,12,17-21,34H2,(H2,35,41)(H,36,40)(H,37,42)/t25-,27+,28+,29+/m1/s1
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1.00E+4n/an/an/an/an/an/an/an/a



"Sapienza" Università di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from kappa opioid receptor in rat brain membrane after 3 hrs by liquid scintillation counting


Eur J Med Chem 45: 4594-600 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.022
BindingDB Entry DOI: 10.7270/Q2KK9C0Q
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50139013
PNG
((S)-1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyl]...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C32H37N5O5/c33-25(18-23-13-15-24(38)16-14-23)32(42)37-17-7-12-28(37)31(41)36-27(20-22-10-5-2-6-11-22)30(40)35-26(29(34)39)19-21-8-3-1-4-9-21/h1-6,8-11,13-16,25-28,38H,7,12,17-20,33H2,(H2,34,39)(H,35,40)(H,36,41)/t25-,26-,27-,28-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



"Sapienza" Università di Roma

Curated by ChEMBL


Assay Description
Agonist activity at mu opioid receptor in guinea pig ileum assessed as inhibition of electrically-stimulated muscle contraction


Eur J Med Chem 45: 4594-600 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.022
BindingDB Entry DOI: 10.7270/Q2KK9C0Q
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50139013
PNG
((S)-1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyl]...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C32H37N5O5/c33-25(18-23-13-15-24(38)16-14-23)32(42)37-17-7-12-28(37)31(41)36-27(20-22-10-5-2-6-11-22)30(40)35-26(29(34)39)19-21-8-3-1-4-9-21/h1-6,8-11,13-16,25-28,38H,7,12,17-20,33H2,(H2,34,39)(H,35,40)(H,36,41)/t25-,26-,27-,28-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


Assay Description
Agonist activity at mu opioid receptor in guinea pig ileum assessed as inhibition of electrically-stimulated muscle contraction


J Med Chem 53: 4550-4 (2010)


Article DOI: 10.1021/jm1001343
BindingDB Entry DOI: 10.7270/Q23F4PTK
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50326886
PNG
((R)-1-((S)-2-(2-((R)-1-((S)-2-amino-3-(4-hydroxyph...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@@H]1CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(N)=O |r|
Show InChI InChI=1S/C29H37N5O5/c30-23(16-20-10-12-22(35)13-11-20)28(38)33-14-4-8-21(33)18-26(36)32-24(17-19-6-2-1-3-7-19)29(39)34-15-5-9-25(34)27(31)37/h1-3,6-7,10-13,21,23-25,35H,4-5,8-9,14-18,30H2,(H2,31,37)(H,32,36)/t21-,23+,24+,25-/m1/s1
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n/an/a 17n/an/an/an/an/an/a



"Sapienza" Università di Roma

Curated by ChEMBL


Assay Description
Agonist activity at mu opioid receptor in guinea pig ileum assessed as inhibition of electrically-stimulated muscle contraction


Eur J Med Chem 45: 4594-600 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.022
BindingDB Entry DOI: 10.7270/Q2KK9C0Q
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50320022
PNG
((S)-1-((S)-2-amino-3-(4-hydroxyphenyl)propanoyl)-N...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N\C(=C/c1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C32H35N5O5/c33-25(18-23-13-15-24(38)16-14-23)32(42)37-17-7-12-28(37)31(41)36-27(20-22-10-5-2-6-11-22)30(40)35-26(29(34)39)19-21-8-3-1-4-9-21/h1-6,8-11,13-16,19,25,27-28,38H,7,12,17-18,20,33H2,(H2,34,39)(H,35,40)(H,36,41)/b26-19-/t25-,27-,28-/m0/s1
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n/an/a 25n/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


Assay Description
Agonist activity at mu opioid receptor in guinea pig ileum assessed as inhibition of electrically-stimulated muscle contraction


J Med Chem 53: 4550-4 (2010)


Article DOI: 10.1021/jm1001343
BindingDB Entry DOI: 10.7270/Q23F4PTK
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50326886
PNG
((R)-1-((S)-2-(2-((R)-1-((S)-2-amino-3-(4-hydroxyph...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@@H]1CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(N)=O |r|
Show InChI InChI=1S/C29H37N5O5/c30-23(16-20-10-12-22(35)13-11-20)28(38)33-14-4-8-21(33)18-26(36)32-24(17-19-6-2-1-3-7-19)29(39)34-15-5-9-25(34)27(31)37/h1-3,6-7,10-13,21,23-25,35H,4-5,8-9,14-18,30H2,(H2,31,37)(H,32,36)/t21-,23+,24+,25-/m1/s1
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n/an/a 96n/an/an/an/an/an/a



"Sapienza" Università di Roma

Curated by ChEMBL


Assay Description
Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electrically-stimulated muscle contraction


Eur J Med Chem 45: 4594-600 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.022
BindingDB Entry DOI: 10.7270/Q2KK9C0Q
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50320024
PNG
((S)-N-(3-((S)-1-amino-1-oxo-3-phenylpropan-2-ylami...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N\C(=C/c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C32H35N5O5/c33-25(18-23-13-15-24(38)16-14-23)32(42)37-17-7-12-28(37)31(41)36-27(20-22-10-5-2-6-11-22)30(40)35-26(29(34)39)19-21-8-3-1-4-9-21/h1-6,8-11,13-16,20,25-26,28,38H,7,12,17-19,33H2,(H2,34,39)(H,35,40)(H,36,41)/b27-20-/t25-,26-,28-/m0/s1
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n/an/a 170n/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


Assay Description
Agonist activity at mu opioid receptor in guinea pig ileum assessed as inhibition of electrically-stimulated muscle contraction


J Med Chem 53: 4550-4 (2010)


Article DOI: 10.1021/jm1001343
BindingDB Entry DOI: 10.7270/Q23F4PTK
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50326888
PNG
((S)-N-((S)-1-amino-1-oxo-3-phenylpropan-2-yl)-2-((...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CC[C@H](C1)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C31H37N5O6S/c32-26(17-23-11-13-24(37)14-12-23)31(40)36-16-15-25(20-36)43(41,42)35-28(19-22-9-5-2-6-10-22)30(39)34-27(29(33)38)18-21-7-3-1-4-8-21/h1-14,25-28,35,37H,15-20,32H2,(H2,33,38)(H,34,39)/t25-,26+,27+,28+/m1/s1
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n/an/a 220n/an/an/an/an/an/a



"Sapienza" Università di Roma

Curated by ChEMBL


Assay Description
Agonist activity at mu opioid receptor in guinea pig ileum assessed as inhibition of electrically-stimulated muscle contraction


Eur J Med Chem 45: 4594-600 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.022
BindingDB Entry DOI: 10.7270/Q2KK9C0Q
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50326885
PNG
((S)-N-((S)-1-amino-1-oxo-3-phenylpropan-2-yl)-2-(2...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C33H39N5O5/c34-27(18-24-13-15-26(39)16-14-24)33(43)38-17-7-12-25(38)21-30(40)36-29(20-23-10-5-2-6-11-23)32(42)37-28(31(35)41)19-22-8-3-1-4-9-22/h1-6,8-11,13-16,25,27-29,39H,7,12,17-21,34H2,(H2,35,41)(H,36,40)(H,37,42)/t25-,27-,28-,29-/m0/s1
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n/an/a 260n/an/an/an/an/an/a



"Sapienza" Università di Roma

Curated by ChEMBL


Assay Description
Agonist activity at mu opioid receptor in guinea pig ileum assessed as inhibition of electrically-stimulated muscle contraction


Eur J Med Chem 45: 4594-600 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.022
BindingDB Entry DOI: 10.7270/Q2KK9C0Q
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50326889
PNG
((S)-N-((S)-1-amino-1-oxo-3-phenylpropan-2-yl)-2-((...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CC[C@@H](C1)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C31H37N5O6S/c32-26(17-23-11-13-24(37)14-12-23)31(40)36-16-15-25(20-36)43(41,42)35-28(19-22-9-5-2-6-10-22)30(39)34-27(29(33)38)18-21-7-3-1-4-8-21/h1-14,25-28,35,37H,15-20,32H2,(H2,33,38)(H,34,39)/t25-,26-,27-,28-/m0/s1
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n/an/a 260n/an/an/an/an/an/a



"Sapienza" Università di Roma

Curated by ChEMBL


Assay Description
Agonist activity at mu opioid receptor in guinea pig ileum assessed as inhibition of electrically-stimulated muscle contraction


Eur J Med Chem 45: 4594-600 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.022
BindingDB Entry DOI: 10.7270/Q2KK9C0Q
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50320023
PNG
((S)-1-((S)-2-amino-3-(4-hydroxyphenyl)propanoyl)-N...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N\C(=C/c1ccccc1)C(=O)N\C(=C/c1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C32H33N5O5/c33-25(18-23-13-15-24(38)16-14-23)32(42)37-17-7-12-28(37)31(41)36-27(20-22-10-5-2-6-11-22)30(40)35-26(29(34)39)19-21-8-3-1-4-9-21/h1-6,8-11,13-16,19-20,25,28,38H,7,12,17-18,33H2,(H2,34,39)(H,35,40)(H,36,41)/b26-19-,27-20-/t25-,28-/m0/s1
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n/an/a 330n/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


Assay Description
Agonist activity at mu opioid receptor in guinea pig ileum assessed as inhibition of electrically-stimulated muscle contraction


J Med Chem 53: 4550-4 (2010)


Article DOI: 10.1021/jm1001343
BindingDB Entry DOI: 10.7270/Q23F4PTK
More data for this
Ligand-Target Pair
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