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PubMed code 23547584

Compile data set for download or QSAR
Found 19 hits of Enzyme Inhibition Constant Data   
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
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50428089
PNG
(CHEMBL2323577)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@H](CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C)C(=O)NCC(=O)N[C@H](CC(N)=O)Cc1ccccc1)Cc1ccccc1 |r|
Show InChI InChI=1S/C48H59N9O10/c1-29(53-47(66)39(49)23-33-13-17-37(58)18-14-33)45(64)51-28-44(63)56-36(22-32-11-7-4-8-12-32)26-42(61)57-40(24-34-15-19-38(59)20-16-34)48(67)54-30(2)46(65)52-27-43(62)55-35(25-41(50)60)21-31-9-5-3-6-10-31/h3-20,29-30,35-36,39-40,58-59H,21-28,49H2,1-2H3,(H2,50,60)(H,51,64)(H,52,65)(H,53,66)(H,54,67)(H,55,62)(H,56,63)(H,57,61)/t29-,30-,35+,36+,39+,40+/m1/s1
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 0.720n/an/an/an/an/an/an/an/a



Universit£ di Chieti-Pescara"G. d'Annunzio"

Curated by ChEMBL


Assay Description
Displacement of [3H]Deltorphin from DOR in Sprague-Dawley rat brain membrane after 180 mins by scintillation counting analysis

J Med Chem 56: 3419-23 (2013)


Article DOI: 10.1021/jm301456c
BindingDB Entry DOI: 10.7270/Q2X63P9H
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50428089
PNG
(CHEMBL2323577)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@H](CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C)C(=O)NCC(=O)N[C@H](CC(N)=O)Cc1ccccc1)Cc1ccccc1 |r|
Show InChI InChI=1S/C48H59N9O10/c1-29(53-47(66)39(49)23-33-13-17-37(58)18-14-33)45(64)51-28-44(63)56-36(22-32-11-7-4-8-12-32)26-42(61)57-40(24-34-15-19-38(59)20-16-34)48(67)54-30(2)46(65)52-27-43(62)55-35(25-41(50)60)21-31-9-5-3-6-10-31/h3-20,29-30,35-36,39-40,58-59H,21-28,49H2,1-2H3,(H2,50,60)(H,51,64)(H,52,65)(H,53,66)(H,54,67)(H,55,62)(H,56,63)(H,57,61)/t29-,30-,35+,36+,39+,40+/m1/s1
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 1.10n/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 MOR in Sprague-Dawley rat brain membrane after 180 mins by scintillation counting analysis

J Med Chem 56: 3419-23 (2013)


Article DOI: 10.1021/jm301456c
BindingDB Entry DOI: 10.7270/Q2X63P9H
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM21014
PNG
((2S)-2-amino-N-[(1R)-1-[({[(1S)-1-{N'-[(2S)-2-{2-[...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C46H56N10O10/c1-27(51-43(63)35(47)21-31-13-17-33(57)18-14-31)41(61)49-25-39(59)53-37(23-29-9-5-3-6-10-29)45(65)55-56-46(66)38(24-30-11-7-4-8-12-30)54-40(60)26-50-42(62)28(2)52-44(64)36(48)22-32-15-19-34(58)20-16-32/h3-20,27-28,35-38,57-58H,21-26,47-48H2,1-2H3,(H,49,61)(H,50,62)(H,51,63)(H,52,64)(H,53,59)(H,54,60)(H,55,65)(H,56,66)/t27-,28-,35+,36+,37+,38+/m1/s1
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 1.40n/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 MOR in Sprague-Dawley rat brain membrane after 180 mins by scintillation counting analysis

J Med Chem 56: 3419-23 (2013)


Article DOI: 10.1021/jm301456c
BindingDB Entry DOI: 10.7270/Q2X63P9H
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM21014
PNG
((2S)-2-amino-N-[(1R)-1-[({[(1S)-1-{N'-[(2S)-2-{2-[...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C46H56N10O10/c1-27(51-43(63)35(47)21-31-13-17-33(57)18-14-31)41(61)49-25-39(59)53-37(23-29-9-5-3-6-10-29)45(65)55-56-46(66)38(24-30-11-7-4-8-12-30)54-40(60)26-50-42(62)28(2)52-44(64)36(48)22-32-15-19-34(58)20-16-32/h3-20,27-28,35-38,57-58H,21-26,47-48H2,1-2H3,(H,49,61)(H,50,62)(H,51,63)(H,52,64)(H,53,59)(H,54,60)(H,55,65)(H,56,66)/t27-,28-,35+,36+,37+,38+/m1/s1
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 2.60n/an/an/an/an/an/an/an/a



Universit£ di Chieti-Pescara"G. d'Annunzio"

Curated by ChEMBL


Assay Description
Displacement of [3H]Deltorphin from DOR in Sprague-Dawley rat brain membrane after 180 mins by scintillation counting analysis

J Med Chem 56: 3419-23 (2013)


Article DOI: 10.1021/jm301456c
BindingDB Entry DOI: 10.7270/Q2X63P9H
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50428088
PNG
(CHEMBL2323575)
Show SMILES C[C@H](CC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C)CC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C48H59N9O10/c1-29(53-46(65)37(49)23-33-13-17-35(58)18-14-33)21-41(60)52-28-44(63)56-39(25-32-11-7-4-8-12-32)48(67)57-40(26-34-15-19-36(59)20-16-34)47(66)54-30(2)22-42(61)51-27-43(62)55-38(45(50)64)24-31-9-5-3-6-10-31/h3-20,29-30,37-40,58-59H,21-28,49H2,1-2H3,(H2,50,64)(H,51,61)(H,52,60)(H,53,65)(H,54,66)(H,55,62)(H,56,63)(H,57,67)/t29-,30-,37+,38+,39+,40+/m1/s1
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 57n/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 MOR in Sprague-Dawley rat brain membrane after 180 mins by scintillation counting analysis

J Med Chem 56: 3419-23 (2013)


Article DOI: 10.1021/jm301456c
BindingDB Entry DOI: 10.7270/Q2X63P9H
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50428087
PNG
(CHEMBL2323574)
Show SMILES C[C@@H](NC(=O)C[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CC(=O)N[C@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(N)=O)Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C48H59N9O10/c1-29(53-41(60)25-35(49)21-33-13-17-37(58)18-14-33)46(65)52-28-44(63)57-40(24-32-11-7-4-8-12-32)48(67)55-36(22-34-15-19-38(59)20-16-34)26-42(61)54-30(2)47(66)51-27-43(62)56-39(45(50)64)23-31-9-5-3-6-10-31/h3-20,29-30,35-36,39-40,58-59H,21-28,49H2,1-2H3,(H2,50,64)(H,51,66)(H,52,65)(H,53,60)(H,54,61)(H,55,67)(H,56,62)(H,57,63)/t29-,30-,35+,36+,39+,40+/m1/s1
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 62n/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 MOR in Sprague-Dawley rat brain membrane after 180 mins by scintillation counting analysis

J Med Chem 56: 3419-23 (2013)


Article DOI: 10.1021/jm301456c
BindingDB Entry DOI: 10.7270/Q2X63P9H
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50428090
PNG
(CHEMBL2323576)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C)C(=O)NCCC(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C48H59N9O10/c1-29(53-46(65)37(49)25-33-13-17-35(58)18-14-33)44(63)51-24-22-42(61)56-39(27-32-11-7-4-8-12-32)48(67)57-40(28-34-15-19-36(59)20-16-34)47(66)54-30(2)45(64)52-23-21-41(60)55-38(43(50)62)26-31-9-5-3-6-10-31/h3-20,29-30,37-40,58-59H,21-28,49H2,1-2H3,(H2,50,62)(H,51,63)(H,52,64)(H,53,65)(H,54,66)(H,55,60)(H,56,61)(H,57,67)/t29-,30-,37+,38+,39+,40+/m1/s1
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 172n/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 MOR in Sprague-Dawley rat brain membrane after 180 mins by scintillation counting analysis

J Med Chem 56: 3419-23 (2013)


Article DOI: 10.1021/jm301456c
BindingDB Entry DOI: 10.7270/Q2X63P9H
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50428090
PNG
(CHEMBL2323576)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C)C(=O)NCCC(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C48H59N9O10/c1-29(53-46(65)37(49)25-33-13-17-35(58)18-14-33)44(63)51-24-22-42(61)56-39(27-32-11-7-4-8-12-32)48(67)57-40(28-34-15-19-36(59)20-16-34)47(66)54-30(2)45(64)52-23-21-41(60)55-38(43(50)62)26-31-9-5-3-6-10-31/h3-20,29-30,37-40,58-59H,21-28,49H2,1-2H3,(H2,50,62)(H,51,63)(H,52,64)(H,53,65)(H,54,66)(H,55,60)(H,56,61)(H,57,67)/t29-,30-,37+,38+,39+,40+/m1/s1
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 240n/an/an/an/an/an/an/an/a



Universit£ di Chieti-Pescara"G. d'Annunzio"

Curated by ChEMBL


Assay Description
Displacement of [3H]Deltorphin from DOR in Sprague-Dawley rat brain membrane after 180 mins by scintillation counting analysis

J Med Chem 56: 3419-23 (2013)


Article DOI: 10.1021/jm301456c
BindingDB Entry DOI: 10.7270/Q2X63P9H
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50428088
PNG
(CHEMBL2323575)
Show SMILES C[C@H](CC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C)CC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C48H59N9O10/c1-29(53-46(65)37(49)23-33-13-17-35(58)18-14-33)21-41(60)52-28-44(63)56-39(25-32-11-7-4-8-12-32)48(67)57-40(26-34-15-19-36(59)20-16-34)47(66)54-30(2)22-42(61)51-27-43(62)55-38(45(50)64)24-31-9-5-3-6-10-31/h3-20,29-30,37-40,58-59H,21-28,49H2,1-2H3,(H2,50,64)(H,51,61)(H,52,60)(H,53,65)(H,54,66)(H,55,62)(H,56,63)(H,57,67)/t29-,30-,37+,38+,39+,40+/m1/s1
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 450n/an/an/an/an/an/an/an/a



Universit£ di Chieti-Pescara"G. d'Annunzio"

Curated by ChEMBL


Assay Description
Displacement of [3H]Deltorphin from DOR in Sprague-Dawley rat brain membrane after 180 mins by scintillation counting analysis

J Med Chem 56: 3419-23 (2013)


Article DOI: 10.1021/jm301456c
BindingDB Entry DOI: 10.7270/Q2X63P9H
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50428087
PNG
(CHEMBL2323574)
Show SMILES C[C@@H](NC(=O)C[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CC(=O)N[C@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(N)=O)Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C48H59N9O10/c1-29(53-41(60)25-35(49)21-33-13-17-37(58)18-14-33)46(65)52-28-44(63)57-40(24-32-11-7-4-8-12-32)48(67)55-36(22-34-15-19-38(59)20-16-34)26-42(61)54-30(2)47(66)51-27-43(62)56-39(45(50)64)23-31-9-5-3-6-10-31/h3-20,29-30,35-36,39-40,58-59H,21-28,49H2,1-2H3,(H2,50,64)(H,51,66)(H,52,65)(H,53,60)(H,54,61)(H,55,67)(H,56,62)(H,57,63)/t29-,30-,35+,36+,39+,40+/m1/s1
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 480n/an/an/an/an/an/an/an/a



Universit£ di Chieti-Pescara"G. d'Annunzio"

Curated by ChEMBL


Assay Description
Displacement of [3H]Deltorphin from DOR in Sprague-Dawley rat brain membrane after 180 mins by scintillation counting analysis

J Med Chem 56: 3419-23 (2013)


Article DOI: 10.1021/jm301456c
BindingDB Entry DOI: 10.7270/Q2X63P9H
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM21014
PNG
((2S)-2-amino-N-[(1R)-1-[({[(1S)-1-{N'-[(2S)-2-{2-[...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C46H56N10O10/c1-27(51-43(63)35(47)21-31-13-17-33(57)18-14-31)41(61)49-25-39(59)53-37(23-29-9-5-3-6-10-29)45(65)55-56-46(66)38(24-30-11-7-4-8-12-30)54-40(60)26-50-42(62)28(2)52-44(64)36(48)22-32-15-19-34(58)20-16-32/h3-20,27-28,35-38,57-58H,21-26,47-48H2,1-2H3,(H,49,61)(H,50,62)(H,51,63)(H,52,64)(H,53,59)(H,54,60)(H,55,65)(H,56,66)/t27-,28-,35+,36+,37+,38+/m1/s1
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n/an/a 2.70n/an/an/an/an/an/a



Universit£ di Chieti-Pescara"G. d'Annunzio"

Curated by ChEMBL


Assay Description
Inhibition of DOR in ICR mouse vas deferens assessed as inhibition of electrically-stimulated muscle contraction after 3 mins

J Med Chem 56: 3419-23 (2013)


Article DOI: 10.1021/jm301456c
BindingDB Entry DOI: 10.7270/Q2X63P9H
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM21014
PNG
((2S)-2-amino-N-[(1R)-1-[({[(1S)-1-{N'-[(2S)-2-{2-[...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C46H56N10O10/c1-27(51-43(63)35(47)21-31-13-17-33(57)18-14-31)41(61)49-25-39(59)53-37(23-29-9-5-3-6-10-29)45(65)55-56-46(66)38(24-30-11-7-4-8-12-30)54-40(60)26-50-42(62)28(2)52-44(64)36(48)22-32-15-19-34(58)20-16-32/h3-20,27-28,35-38,57-58H,21-26,47-48H2,1-2H3,(H,49,61)(H,50,62)(H,51,63)(H,52,64)(H,53,59)(H,54,60)(H,55,65)(H,56,66)/t27-,28-,35+,36+,37+,38+/m1/s1
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n/an/a 8.80n/an/an/an/an/an/a



Universit£ di Chieti-Pescara"G. d'Annunzio"

Curated by ChEMBL


Assay Description
Inhibition of MOR in Hartley guinea pig ileum longitudinal muscle myenteric plexus assessed as inhibition of electrically-stimulated muscle contracti...

J Med Chem 56: 3419-23 (2013)


Article DOI: 10.1021/jm301456c
BindingDB Entry DOI: 10.7270/Q2X63P9H
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50428089
PNG
(CHEMBL2323577)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@H](CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C)C(=O)NCC(=O)N[C@H](CC(N)=O)Cc1ccccc1)Cc1ccccc1 |r|
Show InChI InChI=1S/C48H59N9O10/c1-29(53-47(66)39(49)23-33-13-17-37(58)18-14-33)45(64)51-28-44(63)56-36(22-32-11-7-4-8-12-32)26-42(61)57-40(24-34-15-19-38(59)20-16-34)48(67)54-30(2)46(65)52-27-43(62)55-35(25-41(50)60)21-31-9-5-3-6-10-31/h3-20,29-30,35-36,39-40,58-59H,21-28,49H2,1-2H3,(H2,50,60)(H,51,64)(H,52,65)(H,53,66)(H,54,67)(H,55,62)(H,56,63)(H,57,61)/t29-,30-,35+,36+,39+,40+/m1/s1
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n/an/a 33n/an/an/an/an/an/a



Universit£ di Chieti-Pescara"G. d'Annunzio"

Curated by ChEMBL


Assay Description
Inhibition of DOR in ICR mouse vas deferens assessed as inhibition of electrically-stimulated muscle contraction after 3 mins

J Med Chem 56: 3419-23 (2013)


Article DOI: 10.1021/jm301456c
BindingDB Entry DOI: 10.7270/Q2X63P9H
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50428089
PNG
(CHEMBL2323577)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@H](CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C)C(=O)NCC(=O)N[C@H](CC(N)=O)Cc1ccccc1)Cc1ccccc1 |r|
Show InChI InChI=1S/C48H59N9O10/c1-29(53-47(66)39(49)23-33-13-17-37(58)18-14-33)45(64)51-28-44(63)56-36(22-32-11-7-4-8-12-32)26-42(61)57-40(24-34-15-19-38(59)20-16-34)48(67)54-30(2)46(65)52-27-43(62)55-35(25-41(50)60)21-31-9-5-3-6-10-31/h3-20,29-30,35-36,39-40,58-59H,21-28,49H2,1-2H3,(H2,50,60)(H,51,64)(H,52,65)(H,53,66)(H,54,67)(H,55,62)(H,56,63)(H,57,61)/t29-,30-,35+,36+,39+,40+/m1/s1
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n/an/a 50n/an/an/an/an/an/a



Universit£ di Chieti-Pescara"G. d'Annunzio"

Curated by ChEMBL


Assay Description
Inhibition of MOR in Hartley guinea pig ileum longitudinal muscle myenteric plexus assessed as inhibition of electrically-stimulated muscle contracti...

J Med Chem 56: 3419-23 (2013)


Article DOI: 10.1021/jm301456c
BindingDB Entry DOI: 10.7270/Q2X63P9H
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50428087
PNG
(CHEMBL2323574)
Show SMILES C[C@@H](NC(=O)C[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CC(=O)N[C@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(N)=O)Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C48H59N9O10/c1-29(53-41(60)25-35(49)21-33-13-17-37(58)18-14-33)46(65)52-28-44(63)57-40(24-32-11-7-4-8-12-32)48(67)55-36(22-34-15-19-38(59)20-16-34)26-42(61)54-30(2)47(66)51-27-43(62)56-39(45(50)64)23-31-9-5-3-6-10-31/h3-20,29-30,35-36,39-40,58-59H,21-28,49H2,1-2H3,(H2,50,64)(H,51,66)(H,52,65)(H,53,60)(H,54,61)(H,55,67)(H,56,62)(H,57,63)/t29-,30-,35+,36+,39+,40+/m1/s1
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n/an/a 670n/an/an/an/an/an/a



Universit£ di Chieti-Pescara"G. d'Annunzio"

Curated by ChEMBL


Assay Description
Inhibition of MOR in Hartley guinea pig ileum longitudinal muscle myenteric plexus assessed as inhibition of electrically-stimulated muscle contracti...

J Med Chem 56: 3419-23 (2013)


Article DOI: 10.1021/jm301456c
BindingDB Entry DOI: 10.7270/Q2X63P9H
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50428087
PNG
(CHEMBL2323574)
Show SMILES C[C@@H](NC(=O)C[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CC(=O)N[C@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(N)=O)Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C48H59N9O10/c1-29(53-41(60)25-35(49)21-33-13-17-37(58)18-14-33)46(65)52-28-44(63)57-40(24-32-11-7-4-8-12-32)48(67)55-36(22-34-15-19-38(59)20-16-34)26-42(61)54-30(2)47(66)51-27-43(62)56-39(45(50)64)23-31-9-5-3-6-10-31/h3-20,29-30,35-36,39-40,58-59H,21-28,49H2,1-2H3,(H2,50,64)(H,51,66)(H,52,65)(H,53,60)(H,54,61)(H,55,67)(H,56,62)(H,57,63)/t29-,30-,35+,36+,39+,40+/m1/s1
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n/an/a 710n/an/an/an/an/an/a



Universit£ di Chieti-Pescara"G. d'Annunzio"

Curated by ChEMBL


Assay Description
Inhibition of DOR in ICR mouse vas deferens assessed as inhibition of electrically-stimulated muscle contraction after 3 mins

J Med Chem 56: 3419-23 (2013)


Article DOI: 10.1021/jm301456c
BindingDB Entry DOI: 10.7270/Q2X63P9H
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50428090
PNG
(CHEMBL2323576)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C)C(=O)NCCC(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C48H59N9O10/c1-29(53-46(65)37(49)25-33-13-17-35(58)18-14-33)44(63)51-24-22-42(61)56-39(27-32-11-7-4-8-12-32)48(67)57-40(28-34-15-19-36(59)20-16-34)47(66)54-30(2)45(64)52-23-21-41(60)55-38(43(50)62)26-31-9-5-3-6-10-31/h3-20,29-30,37-40,58-59H,21-28,49H2,1-2H3,(H2,50,62)(H,51,63)(H,52,64)(H,53,65)(H,54,66)(H,55,60)(H,56,61)(H,57,67)/t29-,30-,37+,38+,39+,40+/m1/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



Universit£ di Chieti-Pescara"G. d'Annunzio"

Curated by ChEMBL


Assay Description
Inhibition of DOR in ICR mouse vas deferens assessed as inhibition of electrically-stimulated muscle contraction after 3 mins

J Med Chem 56: 3419-23 (2013)


Article DOI: 10.1021/jm301456c
BindingDB Entry DOI: 10.7270/Q2X63P9H
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50428088
PNG
(CHEMBL2323575)
Show SMILES C[C@H](CC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C)CC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C48H59N9O10/c1-29(53-46(65)37(49)23-33-13-17-35(58)18-14-33)21-41(60)52-28-44(63)56-39(25-32-11-7-4-8-12-32)48(67)57-40(26-34-15-19-36(59)20-16-34)47(66)54-30(2)22-42(61)51-27-43(62)55-38(45(50)64)24-31-9-5-3-6-10-31/h3-20,29-30,37-40,58-59H,21-28,49H2,1-2H3,(H2,50,64)(H,51,61)(H,52,60)(H,53,65)(H,54,66)(H,55,62)(H,56,63)(H,57,67)/t29-,30-,37+,38+,39+,40+/m1/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



Universit£ di Chieti-Pescara"G. d'Annunzio"

Curated by ChEMBL


Assay Description
Inhibition of MOR in Hartley guinea pig ileum longitudinal muscle myenteric plexus assessed as inhibition of electrically-stimulated muscle contracti...

J Med Chem 56: 3419-23 (2013)


Article DOI: 10.1021/jm301456c
BindingDB Entry DOI: 10.7270/Q2X63P9H
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50428088
PNG
(CHEMBL2323575)
Show SMILES C[C@H](CC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C)CC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C48H59N9O10/c1-29(53-46(65)37(49)23-33-13-17-35(58)18-14-33)21-41(60)52-28-44(63)56-39(25-32-11-7-4-8-12-32)48(67)57-40(26-34-15-19-36(59)20-16-34)47(66)54-30(2)22-42(61)51-27-43(62)55-38(45(50)64)24-31-9-5-3-6-10-31/h3-20,29-30,37-40,58-59H,21-28,49H2,1-2H3,(H2,50,64)(H,51,61)(H,52,60)(H,53,65)(H,54,66)(H,55,62)(H,56,63)(H,57,67)/t29-,30-,37+,38+,39+,40+/m1/s1
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n/an/a 1.80E+3n/an/an/an/an/an/a



Universit£ di Chieti-Pescara"G. d'Annunzio"

Curated by ChEMBL


Assay Description
Inhibition of DOR in ICR mouse vas deferens assessed as inhibition of electrically-stimulated muscle contraction after 3 mins

J Med Chem 56: 3419-23 (2013)


Article DOI: 10.1021/jm301456c
BindingDB Entry DOI: 10.7270/Q2X63P9H
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%