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Compile Data Set for Download or QSAR

Found 20 hits Enz. Inhib. hit(s) with all data for entry = 50040697   
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))
BDBM50398563
PNG
(CHEMBL2178089)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1C=CC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r,c:15|
Show InChI InChI=1S/C33H37N5O5/c34-26(18-23-14-16-24(39)17-15-23)32(42)36-27-13-7-12-25(27)31(41)38-29(20-22-10-5-2-6-11-22)33(43)37-28(30(35)40)19-21-8-3-1-4-9-21/h1-11,13-17,25-29,39H,12,18-20,34H2,(H2,35,40)(H,36,42)(H,37,43)(H,38,41)/t25-,26-,27+,28-,29-/m0/s1
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1.30n/an/an/an/an/an/an/an/a



Biological Research Center of the Hungarian Academy of Sciences

Curated by ChEMBL


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


J Med Chem 55: 8418-28 (2012)


Article DOI: 10.1021/jm300836n
BindingDB Entry DOI: 10.7270/Q2Q52QR5
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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1.40n/an/an/an/an/an/an/an/a



Biological Research Center of the Hungarian Academy of Sciences

Curated by ChEMBL


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


J Med Chem 55: 8418-28 (2012)


Article DOI: 10.1021/jm300836n
BindingDB Entry DOI: 10.7270/Q2Q52QR5
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50398564
PNG
(CHEMBL2178087)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CC=CC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r,c:16|
Show InChI InChI=1S/C34H39N5O5/c35-27(19-24-15-17-25(40)18-16-24)33(43)37-28-14-8-7-13-26(28)32(42)39-30(21-23-11-5-2-6-12-23)34(44)38-29(31(36)41)20-22-9-3-1-4-10-22/h1-12,15-18,26-30,40H,13-14,19-21,35H2,(H2,36,41)(H,37,43)(H,38,44)(H,39,42)/t26-,27-,28+,29-,30-/m0/s1
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2.60n/an/an/an/an/an/an/an/a



Biological Research Center of the Hungarian Academy of Sciences

Curated by ChEMBL


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


J Med Chem 55: 8418-28 (2012)


Article DOI: 10.1021/jm300836n
BindingDB Entry DOI: 10.7270/Q2Q52QR5
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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27n/an/an/an/an/an/an/an/a



Biological Research Center of the Hungarian Academy of Sciences

Curated by ChEMBL


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


J Med Chem 55: 8418-28 (2012)


Article DOI: 10.1021/jm300836n
BindingDB Entry DOI: 10.7270/Q2Q52QR5
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50398562
PNG
(CHEMBL2178090)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C32H37N5O6/c33-25(15-22-11-13-23(38)14-12-22)32(43)37-19-24(39)18-28(37)31(42)36-27(17-21-9-5-2-6-10-21)30(41)35-26(29(34)40)16-20-7-3-1-4-8-20/h1-14,24-28,38-39H,15-19,33H2,(H2,34,40)(H,35,41)(H,36,42)/t24-,25+,26+,27+,28+/m1/s1
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44n/an/an/an/an/an/an/an/a



Biological Research Center of the Hungarian Academy of Sciences

Curated by ChEMBL


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


J Med Chem 55: 8418-28 (2012)


Article DOI: 10.1021/jm300836n
BindingDB Entry DOI: 10.7270/Q2Q52QR5
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50398564
PNG
(CHEMBL2178087)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CC=CC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r,c:16|
Show InChI InChI=1S/C34H39N5O5/c35-27(19-24-15-17-25(40)18-16-24)33(43)37-28-14-8-7-13-26(28)32(42)39-30(21-23-11-5-2-6-12-23)34(44)38-29(31(36)41)20-22-9-3-1-4-10-22/h1-12,15-18,26-30,40H,13-14,19-21,35H2,(H2,36,41)(H,37,43)(H,38,44)(H,39,42)/t26-,27-,28+,29-,30-/m0/s1
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1.03E+3n/an/an/an/an/an/an/an/a



Biological Research Center of the Hungarian Academy of Sciences

Curated by ChEMBL


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


J Med Chem 55: 8418-28 (2012)


Article DOI: 10.1021/jm300836n
BindingDB Entry DOI: 10.7270/Q2Q52QR5
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50398561
PNG
(CHEMBL2178088)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1C=CC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r,c:15|
Show InChI InChI=1S/C33H37N5O5/c34-26(18-23-14-16-24(39)17-15-23)32(42)36-27-13-7-12-25(27)31(41)38-29(20-22-10-5-2-6-11-22)33(43)37-28(30(35)40)19-21-8-3-1-4-9-21/h1-11,13-17,25-29,39H,12,18-20,34H2,(H2,35,40)(H,36,42)(H,37,43)(H,38,41)/t25-,26+,27+,28+,29+/m1/s1
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2.16E+3n/an/an/an/an/an/an/an/a



Biological Research Center of the Hungarian Academy of Sciences

Curated by ChEMBL


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


J Med Chem 55: 8418-28 (2012)


Article DOI: 10.1021/jm300836n
BindingDB Entry DOI: 10.7270/Q2Q52QR5
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50398560
PNG
(CHEMBL2178086)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CC=CC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r,c:16|
Show InChI InChI=1S/C34H39N5O5/c35-27(19-24-15-17-25(40)18-16-24)33(43)37-28-14-8-7-13-26(28)32(42)39-30(21-23-11-5-2-6-12-23)34(44)38-29(31(36)41)20-22-9-3-1-4-10-22/h1-12,15-18,26-30,40H,13-14,19-21,35H2,(H2,36,41)(H,37,43)(H,38,44)(H,39,42)/t26-,27+,28+,29+,30+/m1/s1
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2.30E+3n/an/an/an/an/an/an/an/a



Biological Research Center of the Hungarian Academy of Sciences

Curated by ChEMBL


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


J Med Chem 55: 8418-28 (2012)


Article DOI: 10.1021/jm300836n
BindingDB Entry DOI: 10.7270/Q2Q52QR5
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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8.50E+3n/an/an/an/an/an/an/an/a



Biological Research Center of the Hungarian Academy of Sciences

Curated by ChEMBL


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


J Med Chem 55: 8418-28 (2012)


Article DOI: 10.1021/jm300836n
BindingDB Entry DOI: 10.7270/Q2Q52QR5
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50398563
PNG
(CHEMBL2178089)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1C=CC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r,c:15|
Show InChI InChI=1S/C33H37N5O5/c34-26(18-23-14-16-24(39)17-15-23)32(42)36-27-13-7-12-25(27)31(41)38-29(20-22-10-5-2-6-11-22)33(43)37-28(30(35)40)19-21-8-3-1-4-9-21/h1-11,13-17,25-29,39H,12,18-20,34H2,(H2,35,40)(H,36,42)(H,37,43)(H,38,41)/t25-,26-,27+,28-,29-/m0/s1
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9.94E+3n/an/an/an/an/an/an/an/a



Biological Research Center of the Hungarian Academy of Sciences

Curated by ChEMBL


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


J Med Chem 55: 8418-28 (2012)


Article DOI: 10.1021/jm300836n
BindingDB Entry DOI: 10.7270/Q2Q52QR5
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50398562
PNG
(CHEMBL2178090)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C32H37N5O6/c33-25(15-22-11-13-23(38)14-12-22)32(43)37-19-24(39)18-28(37)31(42)36-27(17-21-9-5-2-6-10-21)30(41)35-26(29(34)40)16-20-7-3-1-4-8-20/h1-14,24-28,38-39H,15-19,33H2,(H2,34,40)(H,35,41)(H,36,42)/t24-,25+,26+,27+,28+/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Biological Research Center of the Hungarian Academy of Sciences

Curated by ChEMBL


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


J Med Chem 55: 8418-28 (2012)


Article DOI: 10.1021/jm300836n
BindingDB Entry DOI: 10.7270/Q2Q52QR5
More data for this
Ligand-Target Pair
Delta-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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>1.00E+4n/an/an/an/an/an/an/an/a



Biological Research Center of the Hungarian Academy of Sciences

Curated by ChEMBL


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


J Med Chem 55: 8418-28 (2012)


Article DOI: 10.1021/jm300836n
BindingDB Entry DOI: 10.7270/Q2Q52QR5
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50398560
PNG
(CHEMBL2178086)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CC=CC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r,c:16|
Show InChI InChI=1S/C34H39N5O5/c35-27(19-24-15-17-25(40)18-16-24)33(43)37-28-14-8-7-13-26(28)32(42)39-30(21-23-11-5-2-6-12-23)34(44)38-29(31(36)41)20-22-9-3-1-4-10-22/h1-12,15-18,26-30,40H,13-14,19-21,35H2,(H2,36,41)(H,37,43)(H,38,44)(H,39,42)/t26-,27+,28+,29+,30+/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Biological Research Center of the Hungarian Academy of Sciences

Curated by ChEMBL


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


J Med Chem 55: 8418-28 (2012)


Article DOI: 10.1021/jm300836n
BindingDB Entry DOI: 10.7270/Q2Q52QR5
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50398561
PNG
(CHEMBL2178088)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1C=CC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r,c:15|
Show InChI InChI=1S/C33H37N5O5/c34-26(18-23-14-16-24(39)17-15-23)32(42)36-27-13-7-12-25(27)31(41)38-29(20-22-10-5-2-6-11-22)33(43)37-28(30(35)40)19-21-8-3-1-4-9-21/h1-11,13-17,25-29,39H,12,18-20,34H2,(H2,35,40)(H,36,42)(H,37,43)(H,38,41)/t25-,26+,27+,28+,29+/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Biological Research Center of the Hungarian Academy of Sciences

Curated by ChEMBL


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


J Med Chem 55: 8418-28 (2012)


Article DOI: 10.1021/jm300836n
BindingDB Entry DOI: 10.7270/Q2Q52QR5
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50398562
PNG
(CHEMBL2178090)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C32H37N5O6/c33-25(15-22-11-13-23(38)14-12-22)32(43)37-19-24(39)18-28(37)31(42)36-27(17-21-9-5-2-6-10-21)30(41)35-26(29(34)40)16-20-7-3-1-4-8-20/h1-14,24-28,38-39H,15-19,33H2,(H2,34,40)(H,35,41)(H,36,42)/t24-,25+,26+,27+,28+/m1/s1
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n/an/an/an/a 66n/an/an/an/a



Biological Research Center of the Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Agonist activity at mu opioid receptor in Wistar rat brain membranes after 60 mins by [35S]GTPgammaS binding assay


J Med Chem 55: 8418-28 (2012)


Article DOI: 10.1021/jm300836n
BindingDB Entry DOI: 10.7270/Q2Q52QR5
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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n/an/an/an/a 383n/an/an/an/a



Biological Research Center of the Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Agonist activity at mu opioid receptor in Wistar rat brain membranes after 60 mins by [35S]GTPgammaS binding assay


J Med Chem 55: 8418-28 (2012)


Article DOI: 10.1021/jm300836n
BindingDB Entry DOI: 10.7270/Q2Q52QR5
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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n/an/an/an/a 485n/an/an/an/a



Biological Research Center of the Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Agonist activity at mu opioid receptor in Wistar rat brain membranes after 60 mins by [35S]GTPgammaS binding assay


J Med Chem 55: 8418-28 (2012)


Article DOI: 10.1021/jm300836n
BindingDB Entry DOI: 10.7270/Q2Q52QR5
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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n/an/an/an/a 845n/an/an/an/a



Biological Research Center of the Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Agonist activity at mu opioid receptor in Wistar rat brain membranes after 60 mins by [35S]GTPgammaS binding assay


J Med Chem 55: 8418-28 (2012)


Article DOI: 10.1021/jm300836n
BindingDB Entry DOI: 10.7270/Q2Q52QR5
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50398564
PNG
(CHEMBL2178087)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CC=CC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r,c:16|
Show InChI InChI=1S/C34H39N5O5/c35-27(19-24-15-17-25(40)18-16-24)33(43)37-28-14-8-7-13-26(28)32(42)39-30(21-23-11-5-2-6-12-23)34(44)38-29(31(36)41)20-22-9-3-1-4-10-22/h1-12,15-18,26-30,40H,13-14,19-21,35H2,(H2,36,41)(H,37,43)(H,38,44)(H,39,42)/t26-,27-,28+,29-,30-/m0/s1
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n/an/an/an/a 1.02E+3n/an/an/an/a



Biological Research Center of the Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Agonist activity at mu opioid receptor in Wistar rat brain membranes after 60 mins by [35S]GTPgammaS binding assay


J Med Chem 55: 8418-28 (2012)


Article DOI: 10.1021/jm300836n
BindingDB Entry DOI: 10.7270/Q2Q52QR5
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50398563
PNG
(CHEMBL2178089)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1C=CC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r,c:15|
Show InChI InChI=1S/C33H37N5O5/c34-26(18-23-14-16-24(39)17-15-23)32(42)36-27-13-7-12-25(27)31(41)38-29(20-22-10-5-2-6-11-22)33(43)37-28(30(35)40)19-21-8-3-1-4-9-21/h1-11,13-17,25-29,39H,12,18-20,34H2,(H2,35,40)(H,36,42)(H,37,43)(H,38,41)/t25-,26-,27+,28-,29-/m0/s1
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n/an/an/an/a 345n/an/an/an/a



Biological Research Center of the Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Agonist activity at mu opioid receptor in Wistar rat brain membranes after 60 mins by [35S]GTPgammaS binding assay


J Med Chem 55: 8418-28 (2012)


Article DOI: 10.1021/jm300836n
BindingDB Entry DOI: 10.7270/Q2Q52QR5
More data for this
Ligand-Target Pair