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PubMed code 17266203

Compile data set for download or QSAR
Found 29 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
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50203827
PNG
(CHEMBL385583 | Dmt-Pro-Phe-D-1-Nal-NH2)
Show SMILES Cc1cc(C[C@H](N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2cccc3ccccc23)C(N)=O)cc(C)c1O
Show InChI InChI=1S/C38H43N5O5/c1-23-18-26(19-24(2)34(23)44)20-30(39)38(48)43-17-9-16-33(43)37(47)42-32(21-25-10-4-3-5-11-25)36(46)41-31(35(40)45)22-28-14-8-13-27-12-6-7-15-29(27)28/h3-8,10-15,18-19,30-33,44H,9,16-17,20-22,39H2,1-2H3,(H2,40,45)(H,41,46)(H,42,47)/t30-,31+,32-,33-/m0/s1
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 1.20n/an/an/an/an/an/an/an/a



Medical University

Curated by ChEMBL


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

J Med Chem 50: 512-20 (2007)


Article DOI: 10.1021/jm060998u
BindingDB Entry DOI: 10.7270/Q28915JT
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50232769
PNG
(CHEMBL254919 | Dmt-Pro-Phe-D-2-Nal-NH2)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O
Show InChI InChI=1S/C38H43N5O5/c1-23-17-29(44)18-24(2)30(23)22-31(39)38(48)43-16-8-13-34(43)37(47)42-33(20-25-9-4-3-5-10-25)36(46)41-32(35(40)45)21-26-14-15-27-11-6-7-12-28(27)19-26/h3-7,9-12,14-15,17-19,31-34,44H,8,13,16,20-22,39H2,1-2H3,(H2,40,45)(H,41,46)(H,42,47)/t31-,32+,33-,34-/m0/s1
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 1.5n/an/an/an/an/an/an/an/a



Medical University

Curated by ChEMBL


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

J Med Chem 50: 512-20 (2007)


Article DOI: 10.1021/jm060998u
BindingDB Entry DOI: 10.7270/Q28915JT
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50203823
PNG
(CHEMBL218433 | Dmt-Pro-Trp-D-2-Nal-NH2)
Show SMILES Cc1cc(C[C@H](N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccc3ccccc3c2)C(N)=O)cc(C)c1O
Show InChI InChI=1S/C40H44N6O5/c1-23-16-26(17-24(2)36(23)47)19-31(41)40(51)46-15-7-12-35(46)39(50)45-34(21-29-22-43-32-11-6-5-10-30(29)32)38(49)44-33(37(42)48)20-25-13-14-27-8-3-4-9-28(27)18-25/h3-6,8-11,13-14,16-18,22,31,33-35,43,47H,7,12,15,19-21,41H2,1-2H3,(H2,42,48)(H,44,49)(H,45,50)/t31-,33+,34-,35-/m0/s1
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 2.40n/an/an/an/an/an/an/an/a



Medical University

Curated by ChEMBL


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

J Med Chem 50: 512-20 (2007)


Article DOI: 10.1021/jm060998u
BindingDB Entry DOI: 10.7270/Q28915JT
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50232769
PNG
(CHEMBL254919 | Dmt-Pro-Phe-D-2-Nal-NH2)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O
Show InChI InChI=1S/C38H43N5O5/c1-23-17-29(44)18-24(2)30(23)22-31(39)38(48)43-16-8-13-34(43)37(47)42-33(20-25-9-4-3-5-10-25)36(46)41-32(35(40)45)21-26-14-15-27-11-6-7-12-28(27)19-26/h3-7,9-12,14-15,17-19,31-34,44H,8,13,16,20-22,39H2,1-2H3,(H2,40,45)(H,41,46)(H,42,47)/t31-,32+,33-,34-/m0/s1
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 7.70n/an/an/an/an/an/an/an/a



Medical University

Curated by ChEMBL


Assay Description
Displacement of [3H]DSLET from delta opioid receptor in rat brain membrane

J Med Chem 50: 512-20 (2007)


Article DOI: 10.1021/jm060998u
BindingDB Entry DOI: 10.7270/Q28915JT
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50203823
PNG
(CHEMBL218433 | Dmt-Pro-Trp-D-2-Nal-NH2)
Show SMILES Cc1cc(C[C@H](N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccc3ccccc3c2)C(N)=O)cc(C)c1O
Show InChI InChI=1S/C40H44N6O5/c1-23-16-26(17-24(2)36(23)47)19-31(41)40(51)46-15-7-12-35(46)39(50)45-34(21-29-22-43-32-11-6-5-10-30(29)32)38(49)44-33(37(42)48)20-25-13-14-27-8-3-4-9-28(27)18-25/h3-6,8-11,13-14,16-18,22,31,33-35,43,47H,7,12,15,19-21,41H2,1-2H3,(H2,42,48)(H,44,49)(H,45,50)/t31-,33+,34-,35-/m0/s1
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 17n/an/an/an/an/an/an/an/a



Medical University

Curated by ChEMBL


Assay Description
Displacement of [3H]DSLET from delta opioid receptor in rat brain membrane

J Med Chem 50: 512-20 (2007)


Article DOI: 10.1021/jm060998u
BindingDB Entry DOI: 10.7270/Q28915JT
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50203827
PNG
(CHEMBL385583 | Dmt-Pro-Phe-D-1-Nal-NH2)
Show SMILES Cc1cc(C[C@H](N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2cccc3ccccc23)C(N)=O)cc(C)c1O
Show InChI InChI=1S/C38H43N5O5/c1-23-18-26(19-24(2)34(23)44)20-30(39)38(48)43-17-9-16-33(43)37(47)42-32(21-25-10-4-3-5-11-25)36(46)41-31(35(40)45)22-28-14-8-13-27-12-6-7-15-29(27)28/h3-8,10-15,18-19,30-33,44H,9,16-17,20-22,39H2,1-2H3,(H2,40,45)(H,41,46)(H,42,47)/t30-,31+,32-,33-/m0/s1
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 27n/an/an/an/an/an/an/an/a



Medical University

Curated by ChEMBL


Assay Description
Displacement of [3H]DSLET from delta opioid receptor in rat brain membrane

J Med Chem 50: 512-20 (2007)


Article DOI: 10.1021/jm060998u
BindingDB Entry DOI: 10.7270/Q28915JT
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 7.70n/an/an/an/an/an/a



Medical University

Curated by ChEMBL


Assay Description
Agonist activity at mu opioid receptor by inhibition of electrically evoked muscle contraction in guinea pig ileum

J Med Chem 50: 512-20 (2007)


Article DOI: 10.1021/jm060998u
BindingDB Entry DOI: 10.7270/Q28915JT
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		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



Medical University

Curated by ChEMBL


Assay Description
Agonist activity at delta opioid receptor by inhibition of electrically evoked muscle contraction in isolated mouse vas deferens

J Med Chem 50: 512-20 (2007)


Article DOI: 10.1021/jm060998u
BindingDB Entry DOI: 10.7270/Q28915JT
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50203829
PNG
(CHEMBL375068 | Dmt-Pro-Trp-D-1-Nal-NH2)
Show SMILES Cc1cc(C[C@H](N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2cccc3ccccc23)C(N)=O)cc(C)c1O
Show InChI InChI=1S/C40H44N6O5/c1-23-17-25(18-24(2)36(23)47)19-31(41)40(51)46-16-8-15-35(46)39(50)45-34(21-28-22-43-32-14-6-5-13-30(28)32)38(49)44-33(37(42)48)20-27-11-7-10-26-9-3-4-12-29(26)27/h3-7,9-14,17-18,22,31,33-35,43,47H,8,15-16,19-21,41H2,1-2H3,(H2,42,48)(H,44,49)(H,45,50)/t31-,33+,34-,35-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Medical University

Curated by ChEMBL


Assay Description
Agonist activity at mu opioid receptor by inhibition of electrically evoked muscle contraction in guinea pig ileum

J Med Chem 50: 512-20 (2007)


Article DOI: 10.1021/jm060998u
BindingDB Entry DOI: 10.7270/Q28915JT
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		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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n/an/a 17n/an/an/an/an/an/a



Medical University

Curated by ChEMBL


Assay Description
Agonist activity at mu opioid receptor by inhibition of electrically evoked muscle contraction in guinea pig ileum

J Med Chem 50: 512-20 (2007)


Article DOI: 10.1021/jm060998u
BindingDB Entry DOI: 10.7270/Q28915JT
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		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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n/an/a 26n/an/an/an/an/an/a



Medical University

Curated by ChEMBL


Assay Description
Agonist activity at delta opioid receptor by inhibition of electrically evoked muscle contraction in isolated mouse vas deferens

J Med Chem 50: 512-20 (2007)


Article DOI: 10.1021/jm060998u
BindingDB Entry DOI: 10.7270/Q28915JT
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50203826
PNG
(CHEMBL267211 | Tyr-Pro-Trp-D-2-Nal-NH2)
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](Cc1ccc2ccccc2c1)C(N)=O
Show InChI InChI=1S/C38H40N6O5/c39-30(19-23-12-15-28(45)16-13-23)38(49)44-17-5-10-34(44)37(48)43-33(21-27-22-41-31-9-4-3-8-29(27)31)36(47)42-32(35(40)46)20-24-11-14-25-6-1-2-7-26(25)18-24/h1-4,6-9,11-16,18,22,30,32-34,41,45H,5,10,17,19-21,39H2,(H2,40,46)(H,42,47)(H,43,48)/t30-,32+,33-,34-/m0/s1
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n/an/a 3.47E+3n/an/an/an/an/an/a



Medical University

Curated by ChEMBL


Assay Description
Agonist activity at mu opioid receptor by inhibition of electrically evoked muscle contraction in guinea pig ileum

J Med Chem 50: 512-20 (2007)


Article DOI: 10.1021/jm060998u
BindingDB Entry DOI: 10.7270/Q28915JT
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50203822
PNG
(CHEMBL219108 | Tyr-Pro-Trp-D-1-Nal-NH2)
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](Cc1cccc2ccccc12)C(N)=O
Show InChI InChI=1S/C38H40N6O5/c39-30(19-23-14-16-27(45)17-15-23)38(49)44-18-6-13-34(44)37(48)43-33(21-26-22-41-31-12-4-3-11-29(26)31)36(47)42-32(35(40)46)20-25-9-5-8-24-7-1-2-10-28(24)25/h1-5,7-12,14-17,22,30,32-34,41,45H,6,13,18-21,39H2,(H2,40,46)(H,42,47)(H,43,48)/t30-,32+,33-,34-/m0/s1
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n/an/a 4.18E+3n/an/an/an/an/an/a



Medical University

Curated by ChEMBL


Assay Description
Agonist activity at mu opioid receptor by inhibition of electrically evoked muscle contraction in guinea pig ileum

J Med Chem 50: 512-20 (2007)


Article DOI: 10.1021/jm060998u
BindingDB Entry DOI: 10.7270/Q28915JT
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50203828
PNG
(CHEMBL375069 | Tyr-Pro-Phe-D-1-Nal-NH2)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1cccc2ccccc12)C(N)=O
Show InChI InChI=1S/C36H39N5O5/c37-29(20-24-15-17-27(42)18-16-24)36(46)41-19-7-14-32(41)35(45)40-31(21-23-8-2-1-3-9-23)34(44)39-30(33(38)43)22-26-12-6-11-25-10-4-5-13-28(25)26/h1-6,8-13,15-18,29-32,42H,7,14,19-22,37H2,(H2,38,43)(H,39,44)(H,40,45)/t29-,30+,31-,32-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Medical University

Curated by ChEMBL


Assay Description
Agonist activity at delta opioid receptor by inhibition of electrically evoked muscle contraction in isolated mouse vas deferens

J Med Chem 50: 512-20 (2007)


Article DOI: 10.1021/jm060998u
BindingDB Entry DOI: 10.7270/Q28915JT
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50203826
PNG
(CHEMBL267211 | Tyr-Pro-Trp-D-2-Nal-NH2)
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](Cc1ccc2ccccc2c1)C(N)=O
Show InChI InChI=1S/C38H40N6O5/c39-30(19-23-12-15-28(45)16-13-23)38(49)44-17-5-10-34(44)37(48)43-33(21-27-22-41-31-9-4-3-8-29(27)31)36(47)42-32(35(40)46)20-24-11-14-25-6-1-2-7-26(25)18-24/h1-4,6-9,11-16,18,22,30,32-34,41,45H,5,10,17,19-21,39H2,(H2,40,46)(H,42,47)(H,43,48)/t30-,32+,33-,34-/m0/s1
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n/an/an/an/a 248n/an/an/an/a



Medical University

Curated by ChEMBL


Assay Description
Activity at mu opioid receptor assessed as increase in calcium level in CHO cells by aequorin luminescence based calcium assay

J Med Chem 50: 512-20 (2007)


Article DOI: 10.1021/jm060998u
BindingDB Entry DOI: 10.7270/Q28915JT
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50203822
PNG
(CHEMBL219108 | Tyr-Pro-Trp-D-1-Nal-NH2)
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](Cc1cccc2ccccc12)C(N)=O
Show InChI InChI=1S/C38H40N6O5/c39-30(19-23-14-16-27(45)17-15-23)38(49)44-18-6-13-34(44)37(48)43-33(21-26-22-41-31-12-4-3-11-29(26)31)36(47)42-32(35(40)46)20-25-9-5-8-24-7-1-2-10-28(24)25/h1-5,7-12,14-17,22,30,32-34,41,45H,6,13,18-21,39H2,(H2,40,46)(H,42,47)(H,43,48)/t30-,32+,33-,34-/m0/s1
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n/an/an/an/a 82n/an/an/an/a



Medical University

Curated by ChEMBL


Assay Description
Activity at mu opioid receptor assessed as increase in calcium level in CHO cells by aequorin luminescence based calcium assay

J Med Chem 50: 512-20 (2007)


Article DOI: 10.1021/jm060998u
BindingDB Entry DOI: 10.7270/Q28915JT
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50232769
PNG
(CHEMBL254919 | Dmt-Pro-Phe-D-2-Nal-NH2)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O
Show InChI InChI=1S/C38H43N5O5/c1-23-17-29(44)18-24(2)30(23)22-31(39)38(48)43-16-8-13-34(43)37(47)42-33(20-25-9-4-3-5-10-25)36(46)41-32(35(40)45)21-26-14-15-27-11-6-7-12-28(27)19-26/h3-7,9-12,14-15,17-19,31-34,44H,8,13,16,20-22,39H2,1-2H3,(H2,40,45)(H,41,46)(H,42,47)/t31-,32+,33-,34-/m0/s1
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n/an/an/an/a 16n/an/an/an/a



Medical University

Curated by ChEMBL


Assay Description
Activity at delta opioid receptor assessed as increase in calcium level in CHO cells by aequorin luminescence based calcium assay

J Med Chem 50: 512-20 (2007)


Article DOI: 10.1021/jm060998u
BindingDB Entry DOI: 10.7270/Q28915JT
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		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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n/an/an/an/a 0.00100n/an/an/an/a



Medical University

Curated by ChEMBL


Assay Description
Activity at mu opioid receptor assessed as increase in calcium level in CHO cells by aequorin luminescence based calcium assay

J Med Chem 50: 512-20 (2007)


Article DOI: 10.1021/jm060998u
BindingDB Entry DOI: 10.7270/Q28915JT
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50203828
PNG
(CHEMBL375069 | Tyr-Pro-Phe-D-1-Nal-NH2)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1cccc2ccccc12)C(N)=O
Show InChI InChI=1S/C36H39N5O5/c37-29(20-24-15-17-27(42)18-16-24)36(46)41-19-7-14-32(41)35(45)40-31(21-23-8-2-1-3-9-23)34(44)39-30(33(38)43)22-26-12-6-11-25-10-4-5-13-28(25)26/h1-6,8-13,15-18,29-32,42H,7,14,19-22,37H2,(H2,38,43)(H,39,44)(H,40,45)/t29-,30+,31-,32-/m0/s1
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n/an/an/an/a>1.00E+3n/an/an/an/a



Medical University

Curated by ChEMBL


Assay Description
Activity at delta opioid receptor assessed as increase in calcium level in CHO cells by aequorin luminescence based calcium assay

J Med Chem 50: 512-20 (2007)


Article DOI: 10.1021/jm060998u
BindingDB Entry DOI: 10.7270/Q28915JT
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50203826
PNG
(CHEMBL267211 | Tyr-Pro-Trp-D-2-Nal-NH2)
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](Cc1ccc2ccccc2c1)C(N)=O
Show InChI InChI=1S/C38H40N6O5/c39-30(19-23-12-15-28(45)16-13-23)38(49)44-17-5-10-34(44)37(48)43-33(21-27-22-41-31-9-4-3-8-29(27)31)36(47)42-32(35(40)46)20-24-11-14-25-6-1-2-7-26(25)18-24/h1-4,6-9,11-16,18,22,30,32-34,41,45H,5,10,17,19-21,39H2,(H2,40,46)(H,42,47)(H,43,48)/t30-,32+,33-,34-/m0/s1
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n/an/an/an/a>1.00E+3n/an/an/an/a



Medical University

Curated by ChEMBL


Assay Description
Activity at delta opioid receptor assessed as increase in calcium level in CHO cells by aequorin luminescence based calcium assay

J Med Chem 50: 512-20 (2007)


Article DOI: 10.1021/jm060998u
BindingDB Entry DOI: 10.7270/Q28915JT
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		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>1.00E+3n/an/an/an/a



Medical University

Curated by ChEMBL


Assay Description
Activity at delta opioid receptor assessed as increase in calcium level in CHO cells by aequorin luminescence based calcium assay

J Med Chem 50: 512-20 (2007)


Article DOI: 10.1021/jm060998u
BindingDB Entry DOI: 10.7270/Q28915JT
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50203829
PNG
(CHEMBL375068 | Dmt-Pro-Trp-D-1-Nal-NH2)
Show SMILES Cc1cc(C[C@H](N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2cccc3ccccc23)C(N)=O)cc(C)c1O
Show InChI InChI=1S/C40H44N6O5/c1-23-17-25(18-24(2)36(23)47)19-31(41)40(51)46-16-8-15-35(46)39(50)45-34(21-28-22-43-32-14-6-5-13-30(28)32)38(49)44-33(37(42)48)20-27-11-7-10-26-9-3-4-12-29(26)27/h3-7,9-14,17-18,22,31,33-35,43,47H,8,15-16,19-21,41H2,1-2H3,(H2,42,48)(H,44,49)(H,45,50)/t31-,33+,34-,35-/m0/s1
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n/an/an/an/a 1.20n/an/an/an/a



Medical University

Curated by ChEMBL


Assay Description
Activity at mu opioid receptor assessed as increase in calcium level in CHO cells by aequorin luminescence based calcium assay

J Med Chem 50: 512-20 (2007)


Article DOI: 10.1021/jm060998u
BindingDB Entry DOI: 10.7270/Q28915JT
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50203822
PNG
(CHEMBL219108 | Tyr-Pro-Trp-D-1-Nal-NH2)
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](Cc1cccc2ccccc12)C(N)=O
Show InChI InChI=1S/C38H40N6O5/c39-30(19-23-14-16-27(45)17-15-23)38(49)44-18-6-13-34(44)37(48)43-33(21-26-22-41-31-12-4-3-11-29(26)31)36(47)42-32(35(40)46)20-25-9-5-8-24-7-1-2-10-28(24)25/h1-5,7-12,14-17,22,30,32-34,41,45H,6,13,18-21,39H2,(H2,40,46)(H,42,47)(H,43,48)/t30-,32+,33-,34-/m0/s1
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n/an/an/an/a>1.00E+3n/an/an/an/a



Medical University

Curated by ChEMBL


Assay Description
Activity at delta opioid receptor assessed as increase in calcium level in CHO cells by aequorin luminescence based calcium assay

J Med Chem 50: 512-20 (2007)


Article DOI: 10.1021/jm060998u
BindingDB Entry DOI: 10.7270/Q28915JT
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50203827
PNG
(CHEMBL385583 | Dmt-Pro-Phe-D-1-Nal-NH2)
Show SMILES Cc1cc(C[C@H](N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2cccc3ccccc23)C(N)=O)cc(C)c1O
Show InChI InChI=1S/C38H43N5O5/c1-23-18-26(19-24(2)34(23)44)20-30(39)38(48)43-17-9-16-33(43)37(47)42-32(21-25-10-4-3-5-11-25)36(46)41-31(35(40)45)22-28-14-8-13-27-12-6-7-15-29(27)28/h3-8,10-15,18-19,30-33,44H,9,16-17,20-22,39H2,1-2H3,(H2,40,45)(H,41,46)(H,42,47)/t30-,31+,32-,33-/m0/s1
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n/an/an/an/a 3.60n/an/an/an/a



Medical University

Curated by ChEMBL


Assay Description
Activity at delta opioid receptor assessed as increase in calcium level in CHO cells by aequorin luminescence based calcium assay

J Med Chem 50: 512-20 (2007)


Article DOI: 10.1021/jm060998u
BindingDB Entry DOI: 10.7270/Q28915JT
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		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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n/an/an/an/a 932n/an/an/an/a



Medical University

Curated by ChEMBL


Assay Description
Activity at delta opioid receptor assessed as increase in calcium level in CHO cells by aequorin luminescence based calcium assay

J Med Chem 50: 512-20 (2007)


Article DOI: 10.1021/jm060998u
BindingDB Entry DOI: 10.7270/Q28915JT
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		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 0.0400n/an/an/an/a



Medical University

Curated by ChEMBL


Assay Description
Activity at mu opioid receptor assessed as increase in calcium level in CHO cells by aequorin luminescence based calcium assay

J Med Chem 50: 512-20 (2007)


Article DOI: 10.1021/jm060998u
BindingDB Entry DOI: 10.7270/Q28915JT
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50001468
PNG
((S)-3-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C37H52N8O10/c1-19(2)30(36(54)40-18-28(39)47)45-37(55)31(20(3)4)44-35(53)27(17-29(48)49)43-34(52)26(16-22-9-7-6-8-10-22)42-32(50)21(5)41-33(51)25(38)15-23-11-13-24(46)14-12-23/h6-14,19-21,25-27,30-31,46H,15-18,38H2,1-5H3,(H2,39,47)(H,40,54)(H,41,51)(H,42,50)(H,43,52)(H,44,53)(H,45,55)(H,48,49)/t21-,25+,26+,27+,30+,31+/m1/s1
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n/an/an/an/a<0.0100n/an/an/an/a



Medical University

Curated by ChEMBL


Assay Description
Activity at delta opioid receptor assessed as increase in calcium level in CHO cells by aequorin luminescence based calcium assay

J Med Chem 50: 512-20 (2007)


Article DOI: 10.1021/jm060998u
BindingDB Entry DOI: 10.7270/Q28915JT
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50203823
PNG
(CHEMBL218433 | Dmt-Pro-Trp-D-2-Nal-NH2)
Show SMILES Cc1cc(C[C@H](N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccc3ccccc3c2)C(N)=O)cc(C)c1O
Show InChI InChI=1S/C40H44N6O5/c1-23-16-26(17-24(2)36(23)47)19-31(41)40(51)46-15-7-12-35(46)39(50)45-34(21-29-22-43-32-11-6-5-10-30(29)32)38(49)44-33(37(42)48)20-25-13-14-27-8-3-4-9-28(27)18-25/h3-6,8-11,13-14,16-18,22,31,33-35,43,47H,7,12,15,19-21,41H2,1-2H3,(H2,42,48)(H,44,49)(H,45,50)/t31-,33+,34-,35-/m0/s1
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n/an/an/an/a 29n/an/an/an/a



Medical University

Curated by ChEMBL


Assay Description
Activity at delta opioid receptor assessed as increase in calcium level in CHO cells by aequorin luminescence based calcium assay

J Med Chem 50: 512-20 (2007)


Article DOI: 10.1021/jm060998u
BindingDB Entry DOI: 10.7270/Q28915JT
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50203825
PNG
(CHEMBL375070 | Tyr-Pro-Phe-D-2-Nal-NH2)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O
Show InChI InChI=1S/C36H39N5O5/c37-29(20-24-13-16-28(42)17-14-24)36(46)41-18-6-11-32(41)35(45)40-31(21-23-7-2-1-3-8-23)34(44)39-30(33(38)43)22-25-12-15-26-9-4-5-10-27(26)19-25/h1-5,7-10,12-17,19,29-32,42H,6,11,18,20-22,37H2,(H2,38,43)(H,39,44)(H,40,45)/t29-,30+,31-,32-/m0/s1
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n/an/an/an/a>1.00E+3n/an/an/an/a



Medical University

Curated by ChEMBL


Assay Description
Activity at delta opioid receptor assessed as increase in calcium level in CHO cells by aequorin luminescence based calcium assay

J Med Chem 50: 512-20 (2007)


Article DOI: 10.1021/jm060998u
BindingDB Entry DOI: 10.7270/Q28915JT
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%