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Compile Data Set for Download or QSAR

Found 26 hits Enz. Inhib. hit(s) with all data for entry = 50005642   
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))
BDBM50087065
PNG
(4-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylami...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)C(=O)NCC(N)=O
Show InChI InChI=1S/C40H58N8O10/c1-6-22(3)33(39(57)43-21-31(42)50)48-40(58)34(23(4)7-2)47-37(55)29(17-18-32(51)52)45-38(56)30(20-25-11-9-8-10-12-25)46-35(53)24(5)44-36(54)28(41)19-26-13-15-27(49)16-14-26/h8-16,22-24,28-30,33-34,49H,6-7,17-21,41H2,1-5H3,(H2,42,50)(H,43,57)(H,44,54)(H,45,56)(H,46,53)(H,47,55)(H,48,58)(H,51,52)/t22-,23-,24-,28-,29-,30-,33-,34-/m0/s1
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1.60n/an/an/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Displacement of [3H]Ile5,6deltorphin-2 from delta opioid receptor in Wistar rat brain membranes by liquid scintillation counting


Eur J Med Chem 68: 167-77 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.044
BindingDB Entry DOI: 10.7270/Q2D79FCG
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM21015
PNG
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO
Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1
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1.70n/an/an/an/an/an/an/an/a



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

Curated by ChEMBL


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


Eur J Med Chem 68: 167-77 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.044
BindingDB Entry DOI: 10.7270/Q2D79FCG
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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3.60n/an/an/an/an/an/an/an/a



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

Curated by ChEMBL


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


Eur J Med Chem 68: 167-77 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.044
BindingDB Entry DOI: 10.7270/Q2D79FCG
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50493362
PNG
(CHEMBL2425432)
Show SMILES OC(=O)C(F)(F)F.CN([C@@H](Cc1ccccc1)C(=O)NCCO)C(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C36H45N5O6.C2HF3O2/c1-39(31(33(44)38-19-21-42)23-25-10-5-3-6-11-25)36(47)32(24-26-12-7-4-8-13-26)40(2)35(46)30-14-9-20-41(30)34(45)29(37)22-27-15-17-28(43)18-16-27;3-2(4,5)1(6)7/h3-8,10-13,15-18,29-32,42-43H,9,14,19-24,37H2,1-2H3,(H,38,44);(H,6,7)/t29-,30-,31-,32-;/m0./s1
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34n/an/an/an/an/an/an/an/a



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

Curated by ChEMBL


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


Eur J Med Chem 68: 167-77 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.044
BindingDB Entry DOI: 10.7270/Q2D79FCG
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50493361
PNG
(CHEMBL2425429)
Show SMILES OC(=O)C(F)(F)F.N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCO |r|
Show InChI InChI=1S/C34H41N5O6.C2HF3O2/c35-27(20-25-13-15-26(41)16-14-25)34(45)39-18-7-12-30(39)33(44)38-29(22-24-10-5-2-6-11-24)32(43)37-28(31(42)36-17-19-40)21-23-8-3-1-4-9-23;3-2(4,5)1(6)7/h1-6,8-11,13-16,27-30,40-41H,7,12,17-22,35H2,(H,36,42)(H,37,43)(H,38,44);(H,6,7)/t27-,28-,29-,30-;/m0./s1
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90n/an/an/an/an/an/an/an/a



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

Curated by ChEMBL


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


Eur J Med Chem 68: 167-77 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.044
BindingDB Entry DOI: 10.7270/Q2D79FCG
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50493359
PNG
(CHEMBL2425430)
Show SMILES OC(=O)C(F)(F)F.CN([C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCO)C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C35H43N5O6.C2HF3O2/c1-39(35(46)30-13-8-19-40(30)34(45)28(36)21-26-14-16-27(42)17-15-26)31(23-25-11-6-3-7-12-25)33(44)38-29(32(43)37-18-20-41)22-24-9-4-2-5-10-24;3-2(4,5)1(6)7/h2-7,9-12,14-17,28-31,41-42H,8,13,18-23,36H2,1H3,(H,37,43)(H,38,44);(H,6,7)/t28-,29-,30-,31-;/m0./s1
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155n/an/an/an/an/an/an/an/a



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

Curated by ChEMBL


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


Eur J Med Chem 68: 167-77 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.044
BindingDB Entry DOI: 10.7270/Q2D79FCG
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50493360
PNG
(CHEMBL2425428)
Show SMILES OC(=O)C(F)(F)F.CN([C@@H](Cc1ccccc1)C(=O)NCCO)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C35H43N5O6.C2HF3O2/c1-39(31(32(43)37-18-20-41)23-25-11-6-3-7-12-25)35(46)29(22-24-9-4-2-5-10-24)38-33(44)30-13-8-19-40(30)34(45)28(36)21-26-14-16-27(42)17-15-26;3-2(4,5)1(6)7/h2-7,9-12,14-17,28-31,41-42H,8,13,18-23,36H2,1H3,(H,37,43)(H,38,44);(H,6,7)/t28-,29-,30-,31-;/m0./s1
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224n/an/an/an/an/an/an/an/a



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

Curated by ChEMBL


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


Eur J Med Chem 68: 167-77 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.044
BindingDB Entry DOI: 10.7270/Q2D79FCG
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50493361
PNG
(CHEMBL2425429)
Show SMILES OC(=O)C(F)(F)F.N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCO |r|
Show InChI InChI=1S/C34H41N5O6.C2HF3O2/c35-27(20-25-13-15-26(41)16-14-25)34(45)39-18-7-12-30(39)33(44)38-29(22-24-10-5-2-6-11-24)32(43)37-28(31(42)36-17-19-40)21-23-8-3-1-4-9-23;3-2(4,5)1(6)7/h1-6,8-11,13-16,27-30,40-41H,7,12,17-22,35H2,(H,36,42)(H,37,43)(H,38,44);(H,6,7)/t27-,28-,29-,30-;/m0./s1
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799n/an/an/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Displacement of [3H]Ile5,6deltorphin-2 from delta opioid receptor in Wistar rat brain membranes by liquid scintillation counting


Eur J Med Chem 68: 167-77 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.044
BindingDB Entry DOI: 10.7270/Q2D79FCG
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50493360
PNG
(CHEMBL2425428)
Show SMILES OC(=O)C(F)(F)F.CN([C@@H](Cc1ccccc1)C(=O)NCCO)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C35H43N5O6.C2HF3O2/c1-39(31(32(43)37-18-20-41)23-25-11-6-3-7-12-25)35(46)29(22-24-9-4-2-5-10-24)38-33(44)30-13-8-19-40(30)34(45)28(36)21-26-14-16-27(42)17-15-26;3-2(4,5)1(6)7/h2-7,9-12,14-17,28-31,41-42H,8,13,18-23,36H2,1H3,(H,37,43)(H,38,44);(H,6,7)/t28-,29-,30-,31-;/m0./s1
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3.86E+3n/an/an/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Displacement of [3H]Ile5,6deltorphin-2 from delta opioid receptor in Wistar rat brain membranes by liquid scintillation counting


Eur J Med Chem 68: 167-77 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.044
BindingDB Entry DOI: 10.7270/Q2D79FCG
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50493362
PNG
(CHEMBL2425432)
Show SMILES OC(=O)C(F)(F)F.CN([C@@H](Cc1ccccc1)C(=O)NCCO)C(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C36H45N5O6.C2HF3O2/c1-39(31(33(44)38-19-21-42)23-25-10-5-3-6-11-25)36(47)32(24-26-12-7-4-8-13-26)40(2)35(46)30-14-9-20-41(30)34(45)29(37)22-27-15-17-28(43)18-16-27;3-2(4,5)1(6)7/h3-8,10-13,15-18,29-32,42-43H,9,14,19-24,37H2,1-2H3,(H,38,44);(H,6,7)/t29-,30-,31-,32-;/m0./s1
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6.40E+3n/an/an/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Displacement of [3H]Ile5,6deltorphin-2 from delta opioid receptor in Wistar rat brain membranes by liquid scintillation counting


Eur J Med Chem 68: 167-77 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.044
BindingDB Entry DOI: 10.7270/Q2D79FCG
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50493363
PNG
(CHEMBL2425431)
Show SMILES OC(=O)C(F)(F)F.CN(CC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCO)C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C28H37N5O6.C2HF3O2/c1-32(18-25(36)31-23(26(37)30-13-15-34)17-19-6-3-2-4-7-19)28(39)24-8-5-14-33(24)27(38)22(29)16-20-9-11-21(35)12-10-20;3-2(4,5)1(6)7/h2-4,6-7,9-12,22-24,34-35H,5,8,13-18,29H2,1H3,(H,30,37)(H,31,36);(H,6,7)/t22-,23-,24-;/m0./s1
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>1.00E+4n/an/an/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Displacement of [3H]Ile5,6deltorphin-2 from delta opioid receptor in Wistar rat brain membranes by liquid scintillation counting


Eur J Med Chem 68: 167-77 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.044
BindingDB Entry DOI: 10.7270/Q2D79FCG
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM21015
PNG
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO
Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Displacement of [3H]Ile5,6deltorphin-2 from delta opioid receptor in Wistar rat brain membranes by liquid scintillation counting


Eur J Med Chem 68: 167-77 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.044
BindingDB Entry DOI: 10.7270/Q2D79FCG
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50493359
PNG
(CHEMBL2425430)
Show SMILES OC(=O)C(F)(F)F.CN([C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCO)C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C35H43N5O6.C2HF3O2/c1-39(35(46)30-13-8-19-40(30)34(45)28(36)21-26-14-16-27(42)17-15-26)31(23-25-11-6-3-7-12-25)33(44)38-29(32(43)37-18-20-41)22-24-9-4-2-5-10-24;3-2(4,5)1(6)7/h2-7,9-12,14-17,28-31,41-42H,8,13,18-23,36H2,1H3,(H,37,43)(H,38,44);(H,6,7)/t28-,29-,30-,31-;/m0./s1
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>1.00E+4n/an/an/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Displacement of [3H]Ile5,6deltorphin-2 from delta opioid receptor in Wistar rat brain membranes by liquid scintillation counting


Eur J Med Chem 68: 167-77 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.044
BindingDB Entry DOI: 10.7270/Q2D79FCG
More data for this
Ligand-Target Pair
Delta-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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>1.00E+4n/an/an/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Displacement of [3H]Ile5,6deltorphin-2 from delta opioid receptor in Wistar rat brain membranes by liquid scintillation counting


Eur J Med Chem 68: 167-77 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.044
BindingDB Entry DOI: 10.7270/Q2D79FCG
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50493363
PNG
(CHEMBL2425431)
Show SMILES OC(=O)C(F)(F)F.CN(CC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCO)C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C28H37N5O6.C2HF3O2/c1-32(18-25(36)31-23(26(37)30-13-15-34)17-19-6-3-2-4-7-19)28(39)24-8-5-14-33(24)27(38)22(29)16-20-9-11-21(35)12-10-20;3-2(4,5)1(6)7/h2-4,6-7,9-12,22-24,34-35H,5,8,13-18,29H2,1H3,(H,30,37)(H,31,36);(H,6,7)/t22-,23-,24-;/m0./s1
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Universit£ degli Studi "G. d'Annunzio" di Chieti-Pescara

Curated by ChEMBL


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


Eur J Med Chem 68: 167-77 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.044
BindingDB Entry DOI: 10.7270/Q2D79FCG
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50087065
PNG
(4-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylami...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)C(=O)NCC(N)=O
Show InChI InChI=1S/C40H58N8O10/c1-6-22(3)33(39(57)43-21-31(42)50)48-40(58)34(23(4)7-2)47-37(55)29(17-18-32(51)52)45-38(56)30(20-25-11-9-8-10-12-25)46-35(53)24(5)44-36(54)28(41)19-26-13-15-27(49)16-14-26/h8-16,22-24,28-30,33-34,49H,6-7,17-21,41H2,1-5H3,(H2,42,50)(H,43,57)(H,44,54)(H,45,56)(H,46,53)(H,47,55)(H,48,58)(H,51,52)/t22-,23-,24-,28-,29-,30-,33-,34-/m0/s1
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Universit£ degli Studi "G. d'Annunzio" di Chieti-Pescara

Curated by ChEMBL


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


Eur J Med Chem 68: 167-77 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.044
BindingDB Entry DOI: 10.7270/Q2D79FCG
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM21015
PNG
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO
Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1
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Universit£ degli Studi "G. d'Annunzio" di Chieti-Pescara

Curated by ChEMBL


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


Eur J Med Chem 68: 167-77 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.044
BindingDB Entry DOI: 10.7270/Q2D79FCG
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50493362
PNG
(CHEMBL2425432)
Show SMILES OC(=O)C(F)(F)F.CN([C@@H](Cc1ccccc1)C(=O)NCCO)C(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C36H45N5O6.C2HF3O2/c1-39(31(33(44)38-19-21-42)23-25-10-5-3-6-11-25)36(47)32(24-26-12-7-4-8-13-26)40(2)35(46)30-14-9-20-41(30)34(45)29(37)22-27-15-17-28(43)18-16-27;3-2(4,5)1(6)7/h3-8,10-13,15-18,29-32,42-43H,9,14,19-24,37H2,1-2H3,(H,38,44);(H,6,7)/t29-,30-,31-,32-;/m0./s1
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Universit£ degli Studi "G. d'Annunzio" di Chieti-Pescara

Curated by ChEMBL


Assay Description
Displacement of [3H]Ile5,6deltorphin-2 from delta opioid receptor in Wistar rat brain membranes by liquid scintillation counting


Eur J Med Chem 68: 167-77 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.044
BindingDB Entry DOI: 10.7270/Q2D79FCG
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50493361
PNG
(CHEMBL2425429)
Show SMILES OC(=O)C(F)(F)F.N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCO |r|
Show InChI InChI=1S/C34H41N5O6.C2HF3O2/c35-27(20-25-13-15-26(41)16-14-25)34(45)39-18-7-12-30(39)33(44)38-29(22-24-10-5-2-6-11-24)32(43)37-28(31(42)36-17-19-40)21-23-8-3-1-4-9-23;3-2(4,5)1(6)7/h1-6,8-11,13-16,27-30,40-41H,7,12,17-22,35H2,(H,36,42)(H,37,43)(H,38,44);(H,6,7)/t27-,28-,29-,30-;/m0./s1
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Universit£ degli Studi "G. d'Annunzio" di Chieti-Pescara

Curated by ChEMBL


Assay Description
Displacement of [3H]Ile5,6deltorphin-2 from delta opioid receptor in Wistar rat brain membranes by liquid scintillation counting


Eur J Med Chem 68: 167-77 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.044
BindingDB Entry DOI: 10.7270/Q2D79FCG
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50493361
PNG
(CHEMBL2425429)
Show SMILES OC(=O)C(F)(F)F.N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCO |r|
Show InChI InChI=1S/C34H41N5O6.C2HF3O2/c35-27(20-25-13-15-26(41)16-14-25)34(45)39-18-7-12-30(39)33(44)38-29(22-24-10-5-2-6-11-24)32(43)37-28(31(42)36-17-19-40)21-23-8-3-1-4-9-23;3-2(4,5)1(6)7/h1-6,8-11,13-16,27-30,40-41H,7,12,17-22,35H2,(H,36,42)(H,37,43)(H,38,44);(H,6,7)/t27-,28-,29-,30-;/m0./s1
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Universit£ degli Studi "G. d'Annunzio" di Chieti-Pescara

Curated by ChEMBL


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


Eur J Med Chem 68: 167-77 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.044
BindingDB Entry DOI: 10.7270/Q2D79FCG
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50087065
PNG
(4-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylami...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)C(=O)NCC(N)=O
Show InChI InChI=1S/C40H58N8O10/c1-6-22(3)33(39(57)43-21-31(42)50)48-40(58)34(23(4)7-2)47-37(55)29(17-18-32(51)52)45-38(56)30(20-25-11-9-8-10-12-25)46-35(53)24(5)44-36(54)28(41)19-26-13-15-27(49)16-14-26/h8-16,22-24,28-30,33-34,49H,6-7,17-21,41H2,1-5H3,(H2,42,50)(H,43,57)(H,44,54)(H,45,56)(H,46,53)(H,47,55)(H,48,58)(H,51,52)/t22-,23-,24-,28-,29-,30-,33-,34-/m0/s1
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Universit£ degli Studi "G. d'Annunzio" di Chieti-Pescara

Curated by ChEMBL


Assay Description
Displacement of [3H]Ile5,6deltorphin-2 from delta opioid receptor in Wistar rat brain membranes by liquid scintillation counting


Eur J Med Chem 68: 167-77 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.044
BindingDB Entry DOI: 10.7270/Q2D79FCG
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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Universit£ degli Studi "G. d'Annunzio" di Chieti-Pescara

Curated by ChEMBL


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


Eur J Med Chem 68: 167-77 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.044
BindingDB Entry DOI: 10.7270/Q2D79FCG
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50493362
PNG
(CHEMBL2425432)
Show SMILES OC(=O)C(F)(F)F.CN([C@@H](Cc1ccccc1)C(=O)NCCO)C(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C36H45N5O6.C2HF3O2/c1-39(31(33(44)38-19-21-42)23-25-10-5-3-6-11-25)36(47)32(24-26-12-7-4-8-13-26)40(2)35(46)30-14-9-20-41(30)34(45)29(37)22-27-15-17-28(43)18-16-27;3-2(4,5)1(6)7/h3-8,10-13,15-18,29-32,42-43H,9,14,19-24,37H2,1-2H3,(H,38,44);(H,6,7)/t29-,30-,31-,32-;/m0./s1
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Universit£ degli Studi "G. d'Annunzio" di Chieti-Pescara

Curated by ChEMBL


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


Eur J Med Chem 68: 167-77 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.044
BindingDB Entry DOI: 10.7270/Q2D79FCG
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50493359
PNG
(CHEMBL2425430)
Show SMILES OC(=O)C(F)(F)F.CN([C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCO)C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C35H43N5O6.C2HF3O2/c1-39(35(46)30-13-8-19-40(30)34(45)28(36)21-26-14-16-27(42)17-15-26)31(23-25-11-6-3-7-12-25)33(44)38-29(32(43)37-18-20-41)22-24-9-4-2-5-10-24;3-2(4,5)1(6)7/h2-7,9-12,14-17,28-31,41-42H,8,13,18-23,36H2,1H3,(H,37,43)(H,38,44);(H,6,7)/t28-,29-,30-,31-;/m0./s1
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Universit£ degli Studi "G. d'Annunzio" di Chieti-Pescara

Curated by ChEMBL


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


Eur J Med Chem 68: 167-77 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.044
BindingDB Entry DOI: 10.7270/Q2D79FCG
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50493360
PNG
(CHEMBL2425428)
Show SMILES OC(=O)C(F)(F)F.CN([C@@H](Cc1ccccc1)C(=O)NCCO)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C35H43N5O6.C2HF3O2/c1-39(31(32(43)37-18-20-41)23-25-11-6-3-7-12-25)35(46)29(22-24-9-4-2-5-10-24)38-33(44)30-13-8-19-40(30)34(45)28(36)21-26-14-16-27(42)17-15-26;3-2(4,5)1(6)7/h2-7,9-12,14-17,28-31,41-42H,8,13,18-23,36H2,1H3,(H,37,43)(H,38,44);(H,6,7)/t28-,29-,30-,31-;/m0./s1
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Universit£ degli Studi "G. d'Annunzio" di Chieti-Pescara

Curated by ChEMBL


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


Eur J Med Chem 68: 167-77 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.044
BindingDB Entry DOI: 10.7270/Q2D79FCG
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50493360
PNG
(CHEMBL2425428)
Show SMILES OC(=O)C(F)(F)F.CN([C@@H](Cc1ccccc1)C(=O)NCCO)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C35H43N5O6.C2HF3O2/c1-39(31(32(43)37-18-20-41)23-25-11-6-3-7-12-25)35(46)29(22-24-9-4-2-5-10-24)38-33(44)30-13-8-19-40(30)34(45)28(36)21-26-14-16-27(42)17-15-26;3-2(4,5)1(6)7/h2-7,9-12,14-17,28-31,41-42H,8,13,18-23,36H2,1H3,(H,37,43)(H,38,44);(H,6,7)/t28-,29-,30-,31-;/m0./s1
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Universit£ degli Studi "G. d'Annunzio" di Chieti-Pescara

Curated by ChEMBL


Assay Description
Displacement of [3H]Ile5,6deltorphin-2 from delta opioid receptor in Wistar rat brain membranes by liquid scintillation counting


Eur J Med Chem 68: 167-77 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.044
BindingDB Entry DOI: 10.7270/Q2D79FCG
More data for this
Ligand-Target Pair