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PubMed code 15658871

Compile data set for download or QSAR
Found 28 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))		BDBM50159681
PNG
((S)-1-[2-Amino-3-(2-ethyl-4-hydroxy-6-methyl-pheny...)
Show SMILES CCc1cc(O)cc(C)c1CC(N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C35H43N5O5/c1-3-25-20-26(41)17-22(2)27(25)21-28(36)35(45)40-16-10-15-31(40)34(44)39-30(19-24-13-8-5-9-14-24)33(43)38-29(32(37)42)18-23-11-6-4-7-12-23/h4-9,11-14,17,20,28-31,41H,3,10,15-16,18-19,21,36H2,1-2H3,(H2,37,42)(H,38,43)(H,39,44)/t28?,29-,30-,31-/m0/s1
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 0.0630n/an/an/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DAMGO binding to mu-Opioid receptor

J Med Chem 48: 586-92 (2005)


Article DOI: 10.1021/jm049384k
BindingDB Entry DOI: 10.7270/Q26T0M40
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50159684
PNG
((S)-1-[2-Amino-3-(2,6-diethyl-4-hydroxy-phenyl)-pr...)
Show SMILES CCc1cc(O)cc(CC)c1CC(N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C36H45N5O5/c1-3-25-20-27(42)21-26(4-2)28(25)22-29(37)36(46)41-17-11-16-32(41)35(45)40-31(19-24-14-9-6-10-15-24)34(44)39-30(33(38)43)18-23-12-7-5-8-13-23/h5-10,12-15,20-21,29-32,42H,3-4,11,16-19,22,37H2,1-2H3,(H2,38,43)(H,39,44)(H,40,45)/t29?,30-,31-,32-/m0/s1
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 0.0840n/an/an/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DAMGO binding to mu-Opioid receptor

J Med Chem 48: 586-92 (2005)


Article DOI: 10.1021/jm049384k
BindingDB Entry DOI: 10.7270/Q26T0M40
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50159680
PNG
((S)-1-[2-Amino-3-(4-hydroxy-2,3,6-trimethyl-phenyl...)
Show SMILES Cc1cc(O)c(C)c(C)c1CC(N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C35H43N5O5/c1-21-17-31(41)23(3)22(2)26(21)20-27(36)35(45)40-16-10-15-30(40)34(44)39-29(19-25-13-8-5-9-14-25)33(43)38-28(32(37)42)18-24-11-6-4-7-12-24/h4-9,11-14,17,27-30,41H,10,15-16,18-20,36H2,1-3H3,(H2,37,42)(H,38,43)(H,39,44)/t27?,28-,29-,30-/m0/s1
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 0.111n/an/an/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DAMGO binding to mu-Opioid receptor

J Med Chem 48: 586-92 (2005)


Article DOI: 10.1021/jm049384k
BindingDB Entry DOI: 10.7270/Q26T0M40
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50159682
PNG
((S)-1-[2-Amino-3-(4-hydroxy-2-methyl-phenyl)-propi...)
Show SMILES Cc1cc(O)ccc1CC(N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C33H39N5O5/c1-21-17-25(39)15-14-24(21)20-26(34)33(43)38-16-8-13-29(38)32(42)37-28(19-23-11-6-3-7-12-23)31(41)36-27(30(35)40)18-22-9-4-2-5-10-22/h2-7,9-12,14-15,17,26-29,39H,8,13,16,18-20,34H2,1H3,(H2,35,40)(H,36,41)(H,37,42)/t26?,27-,28-,29-/m0/s1
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 0.132n/an/an/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DAMGO binding to mu-Opioid receptor

J Med Chem 48: 586-92 (2005)


Article DOI: 10.1021/jm049384k
BindingDB Entry DOI: 10.7270/Q26T0M40
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50159686
PNG
((S)-1-[2-Amino-3-(4-hydroxy-2-isopropyl-6-methyl-p...)
Show SMILES CC(C)c1cc(O)cc(C)c1CC(N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C36H45N5O5/c1-22(2)27-20-26(42)17-23(3)28(27)21-29(37)36(46)41-16-10-15-32(41)35(45)40-31(19-25-13-8-5-9-14-25)34(44)39-30(33(38)43)18-24-11-6-4-7-12-24/h4-9,11-14,17,20,22,29-32,42H,10,15-16,18-19,21,37H2,1-3H3,(H2,38,43)(H,39,44)(H,40,45)/t29?,30-,31-,32-/m0/s1
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 0.150n/an/an/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DAMGO binding to mu-Opioid receptor

J Med Chem 48: 586-92 (2005)


Article DOI: 10.1021/jm049384k
BindingDB Entry DOI: 10.7270/Q26T0M40
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50159685
PNG
(5N-[1-[1-carbamoyl-2-phenyl-(1S)-ethylcarbamoyl]-2...)
Show SMILES Cc1cc(C[C@H](N)C(=O)N2CCCC2C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)c(C)cc1O
Show InChI InChI=1S/C34H41N5O5/c1-21-17-30(40)22(2)16-25(21)20-26(35)34(44)39-15-9-14-29(39)33(43)38-28(19-24-12-7-4-8-13-24)32(42)37-27(31(36)41)18-23-10-5-3-6-11-23/h3-8,10-13,16-17,26-29,40H,9,14-15,18-20,35H2,1-2H3,(H2,36,41)(H,37,42)(H,38,43)/t26-,27-,28-,29?/m0/s1
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 0.150n/an/an/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DAMGO binding to mu-Opioid receptor

J Med Chem 48: 586-92 (2005)


Article DOI: 10.1021/jm049384k
BindingDB Entry DOI: 10.7270/Q26T0M40
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50159683
PNG
((S)-1-[2-Amino-3-(4-hydroxy-2,6-diisopropyl-phenyl...)
Show SMILES CC(C)c1cc(O)cc(C(C)C)c1CC(N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C38H49N5O5/c1-23(2)28-20-27(44)21-29(24(3)4)30(28)22-31(39)38(48)43-17-11-16-34(43)37(47)42-33(19-26-14-9-6-10-15-26)36(46)41-32(35(40)45)18-25-12-7-5-8-13-25/h5-10,12-15,20-21,23-24,31-34,44H,11,16-19,22,39H2,1-4H3,(H2,40,45)(H,41,46)(H,42,47)/t31?,32-,33-,34-/m0/s1
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 2.29n/an/an/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DAMGO binding to mu-Opioid receptor

J Med Chem 48: 586-92 (2005)


Article DOI: 10.1021/jm049384k
BindingDB Entry DOI: 10.7270/Q26T0M40
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50159685
PNG
(5N-[1-[1-carbamoyl-2-phenyl-(1S)-ethylcarbamoyl]-2...)
Show SMILES Cc1cc(C[C@H](N)C(=O)N2CCCC2C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)c(C)cc1O
Show InChI InChI=1S/C34H41N5O5/c1-21-17-30(40)22(2)16-25(21)20-26(35)34(44)39-15-9-14-29(39)33(43)38-28(19-24-12-7-4-8-13-24)32(42)37-27(31(36)41)18-23-10-5-3-6-11-23/h3-8,10-13,16-17,26-29,40H,9,14-15,18-20,35H2,1-2H3,(H2,36,41)(H,37,42)(H,38,43)/t26-,27-,28-,29?/m0/s1
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 28.2n/an/an/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DPDPE binding to delta-Opioid receptor

J Med Chem 48: 586-92 (2005)


Article DOI: 10.1021/jm049384k
BindingDB Entry DOI: 10.7270/Q26T0M40
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50159681
PNG
((S)-1-[2-Amino-3-(2-ethyl-4-hydroxy-6-methyl-pheny...)
Show SMILES CCc1cc(O)cc(C)c1CC(N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C35H43N5O5/c1-3-25-20-26(41)17-22(2)27(25)21-28(36)35(45)40-16-10-15-31(40)34(44)39-30(19-24-13-8-5-9-14-24)33(43)38-29(32(37)42)18-23-11-6-4-7-12-23/h4-9,11-14,17,20,28-31,41H,3,10,15-16,18-19,21,36H2,1-2H3,(H2,37,42)(H,38,43)(H,39,44)/t28?,29-,30-,31-/m0/s1
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 55.7n/an/an/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DPDPE binding to delta-Opioid receptor

J Med Chem 48: 586-92 (2005)


Article DOI: 10.1021/jm049384k
BindingDB Entry DOI: 10.7270/Q26T0M40
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50159684
PNG
((S)-1-[2-Amino-3-(2,6-diethyl-4-hydroxy-phenyl)-pr...)
Show SMILES CCc1cc(O)cc(CC)c1CC(N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C36H45N5O5/c1-3-25-20-27(42)21-26(4-2)28(25)22-29(37)36(46)41-17-11-16-32(41)35(45)40-31(19-24-14-9-6-10-15-24)34(44)39-30(33(38)43)18-23-12-7-5-8-13-23/h5-10,12-15,20-21,29-32,42H,3-4,11,16-19,22,37H2,1-2H3,(H2,38,43)(H,39,44)(H,40,45)/t29?,30-,31-,32-/m0/s1
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 69.7n/an/an/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DPDPE binding to delta-Opioid receptor

J Med Chem 48: 586-92 (2005)


Article DOI: 10.1021/jm049384k
BindingDB Entry DOI: 10.7270/Q26T0M40
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50159683
PNG
((S)-1-[2-Amino-3-(4-hydroxy-2,6-diisopropyl-phenyl...)
Show SMILES CC(C)c1cc(O)cc(C(C)C)c1CC(N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C38H49N5O5/c1-23(2)28-20-27(44)21-29(24(3)4)30(28)22-31(39)38(48)43-17-11-16-34(43)37(47)42-33(19-26-14-9-6-10-15-26)36(46)41-32(35(40)45)18-25-12-7-5-8-13-25/h5-10,12-15,20-21,23-24,31-34,44H,11,16-19,22,39H2,1-4H3,(H2,40,45)(H,41,46)(H,42,47)/t31?,32-,33-,34-/m0/s1
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 105n/an/an/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DPDPE binding to delta-Opioid receptor

J Med Chem 48: 586-92 (2005)


Article DOI: 10.1021/jm049384k
BindingDB Entry DOI: 10.7270/Q26T0M40
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50159686
PNG
((S)-1-[2-Amino-3-(4-hydroxy-2-isopropyl-6-methyl-p...)
Show SMILES CC(C)c1cc(O)cc(C)c1CC(N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C36H45N5O5/c1-22(2)27-20-26(42)17-23(3)28(27)21-29(37)36(46)41-16-10-15-32(41)35(45)40-31(19-25-13-8-5-9-14-25)34(44)39-30(33(38)43)18-24-11-6-4-7-12-24/h4-9,11-14,17,20,22,29-32,42H,10,15-16,18-19,21,37H2,1-3H3,(H2,38,43)(H,39,44)(H,40,45)/t29?,30-,31-,32-/m0/s1
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 190n/an/an/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DPDPE binding to delta-Opioid receptor

J Med Chem 48: 586-92 (2005)


Article DOI: 10.1021/jm049384k
BindingDB Entry DOI: 10.7270/Q26T0M40
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50159682
PNG
((S)-1-[2-Amino-3-(4-hydroxy-2-methyl-phenyl)-propi...)
Show SMILES Cc1cc(O)ccc1CC(N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C33H39N5O5/c1-21-17-25(39)15-14-24(21)20-26(34)33(43)38-16-8-13-29(38)32(42)37-28(19-23-11-6-3-7-12-23)31(41)36-27(30(35)40)18-22-9-4-2-5-10-22/h2-7,9-12,14-15,17,26-29,39H,8,13,16,18-20,34H2,1H3,(H2,35,40)(H,36,41)(H,37,42)/t26?,27-,28-,29-/m0/s1
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 529n/an/an/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DPDPE binding to delta-Opioid receptor

J Med Chem 48: 586-92 (2005)


Article DOI: 10.1021/jm049384k
BindingDB Entry DOI: 10.7270/Q26T0M40
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50159680
PNG
((S)-1-[2-Amino-3-(4-hydroxy-2,3,6-trimethyl-phenyl...)
Show SMILES Cc1cc(O)c(C)c(C)c1CC(N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C35H43N5O5/c1-21-17-31(41)23(3)22(2)26(21)20-27(36)35(45)40-16-10-15-30(40)34(44)39-29(19-25-13-8-5-9-14-25)33(43)38-28(32(37)42)18-24-11-6-4-7-12-24/h4-9,11-14,17,27-30,41H,10,15-16,18-20,36H2,1-3H3,(H2,37,42)(H,38,43)(H,39,44)/t27?,28-,29-,30-/m0/s1
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 594n/an/an/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DPDPE binding to delta-Opioid receptor

J Med Chem 48: 586-92 (2005)


Article DOI: 10.1021/jm049384k
BindingDB Entry DOI: 10.7270/Q26T0M40
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50159685
PNG
(5N-[1-[1-carbamoyl-2-phenyl-(1S)-ethylcarbamoyl]-2...)
Show SMILES Cc1cc(C[C@H](N)C(=O)N2CCCC2C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)c(C)cc1O
Show InChI InChI=1S/C34H41N5O5/c1-21-17-30(40)22(2)16-25(21)20-26(35)34(44)39-15-9-14-29(39)33(43)38-28(19-24-12-7-4-8-13-24)32(42)37-27(31(36)41)18-23-10-5-3-6-11-23/h3-8,10-13,16-17,26-29,40H,9,14-15,18-20,35H2,1-2H3,(H2,36,41)(H,37,42)(H,38,43)/t26-,27-,28-,29?/m0/s1
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n/an/a 0.261n/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
In vitro inhibition of opioid receptor mu using isolated guinea pig ileum

J Med Chem 48: 586-92 (2005)


Article DOI: 10.1021/jm049384k
BindingDB Entry DOI: 10.7270/Q26T0M40
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50159685
PNG
(5N-[1-[1-carbamoyl-2-phenyl-(1S)-ethylcarbamoyl]-2...)
Show SMILES Cc1cc(C[C@H](N)C(=O)N2CCCC2C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)c(C)cc1O
Show InChI InChI=1S/C34H41N5O5/c1-21-17-30(40)22(2)16-25(21)20-26(35)34(44)39-15-9-14-29(39)33(43)38-28(19-24-12-7-4-8-13-24)32(42)37-27(31(36)41)18-23-10-5-3-6-11-23/h3-8,10-13,16-17,26-29,40H,9,14-15,18-20,35H2,1-2H3,(H2,36,41)(H,37,42)(H,38,43)/t26-,27-,28-,29?/m0/s1
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n/an/a 0.590n/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
In vitro inhibition of opioid receptor delta using mouse vas deferens

J Med Chem 48: 586-92 (2005)


Article DOI: 10.1021/jm049384k
BindingDB Entry DOI: 10.7270/Q26T0M40
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50159681
PNG
((S)-1-[2-Amino-3-(2-ethyl-4-hydroxy-6-methyl-pheny...)
Show SMILES CCc1cc(O)cc(C)c1CC(N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C35H43N5O5/c1-3-25-20-26(41)17-22(2)27(25)21-28(36)35(45)40-16-10-15-31(40)34(44)39-30(19-24-13-8-5-9-14-24)33(43)38-29(32(37)42)18-23-11-6-4-7-12-23/h4-9,11-14,17,20,28-31,41H,3,10,15-16,18-19,21,36H2,1-2H3,(H2,37,42)(H,38,43)(H,39,44)/t28?,29-,30-,31-/m0/s1
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n/an/a 0.623n/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
In vitro inhibition of opioid receptor mu using isolated guinea pig ileum

J Med Chem 48: 586-92 (2005)


Article DOI: 10.1021/jm049384k
BindingDB Entry DOI: 10.7270/Q26T0M40
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50159684
PNG
((S)-1-[2-Amino-3-(2,6-diethyl-4-hydroxy-phenyl)-pr...)
Show SMILES CCc1cc(O)cc(CC)c1CC(N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C36H45N5O5/c1-3-25-20-27(42)21-26(4-2)28(25)22-29(37)36(46)41-17-11-16-32(41)35(45)40-31(19-24-14-9-6-10-15-24)34(44)39-30(33(38)43)18-23-12-7-5-8-13-23/h5-10,12-15,20-21,29-32,42H,3-4,11,16-19,22,37H2,1-2H3,(H2,38,43)(H,39,44)(H,40,45)/t29?,30-,31-,32-/m0/s1
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n/an/a 0.903n/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
In vitro inhibition of opioid receptor mu using isolated guinea pig ileum

J Med Chem 48: 586-92 (2005)


Article DOI: 10.1021/jm049384k
BindingDB Entry DOI: 10.7270/Q26T0M40
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50159682
PNG
((S)-1-[2-Amino-3-(4-hydroxy-2-methyl-phenyl)-propi...)
Show SMILES Cc1cc(O)ccc1CC(N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C33H39N5O5/c1-21-17-25(39)15-14-24(21)20-26(34)33(43)38-16-8-13-29(38)32(42)37-28(19-23-11-6-3-7-12-23)31(41)36-27(30(35)40)18-22-9-4-2-5-10-22/h2-7,9-12,14-15,17,26-29,39H,8,13,16,18-20,34H2,1H3,(H2,35,40)(H,36,41)(H,37,42)/t26?,27-,28-,29-/m0/s1
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n/an/a 0.924n/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
In vitro inhibition of opioid receptor mu using isolated guinea pig ileum

J Med Chem 48: 586-92 (2005)


Article DOI: 10.1021/jm049384k
BindingDB Entry DOI: 10.7270/Q26T0M40
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50159681
PNG
((S)-1-[2-Amino-3-(2-ethyl-4-hydroxy-6-methyl-pheny...)
Show SMILES CCc1cc(O)cc(C)c1CC(N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C35H43N5O5/c1-3-25-20-26(41)17-22(2)27(25)21-28(36)35(45)40-16-10-15-31(40)34(44)39-30(19-24-13-8-5-9-14-24)33(43)38-29(32(37)42)18-23-11-6-4-7-12-23/h4-9,11-14,17,20,28-31,41H,3,10,15-16,18-19,21,36H2,1-2H3,(H2,37,42)(H,38,43)(H,39,44)/t28?,29-,30-,31-/m0/s1
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n/an/a 1.08n/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
In vitro inhibition of opioid receptor delta using mouse vas deferens

J Med Chem 48: 586-92 (2005)


Article DOI: 10.1021/jm049384k
BindingDB Entry DOI: 10.7270/Q26T0M40
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50159680
PNG
((S)-1-[2-Amino-3-(4-hydroxy-2,3,6-trimethyl-phenyl...)
Show SMILES Cc1cc(O)c(C)c(C)c1CC(N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C35H43N5O5/c1-21-17-31(41)23(3)22(2)26(21)20-27(36)35(45)40-16-10-15-30(40)34(44)39-29(19-25-13-8-5-9-14-25)33(43)38-28(32(37)42)18-24-11-6-4-7-12-24/h4-9,11-14,17,27-30,41H,10,15-16,18-20,36H2,1-3H3,(H2,37,42)(H,38,43)(H,39,44)/t27?,28-,29-,30-/m0/s1
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n/an/a 2.31n/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
In vitro inhibition of opioid receptor mu using isolated guinea pig ileum

J Med Chem 48: 586-92 (2005)


Article DOI: 10.1021/jm049384k
BindingDB Entry DOI: 10.7270/Q26T0M40
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50159686
PNG
((S)-1-[2-Amino-3-(4-hydroxy-2-isopropyl-6-methyl-p...)
Show SMILES CC(C)c1cc(O)cc(C)c1CC(N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C36H45N5O5/c1-22(2)27-20-26(42)17-23(3)28(27)21-29(37)36(46)41-16-10-15-32(41)35(45)40-31(19-25-13-8-5-9-14-25)34(44)39-30(33(38)43)18-24-11-6-4-7-12-24/h4-9,11-14,17,20,22,29-32,42H,10,15-16,18-19,21,37H2,1-3H3,(H2,38,43)(H,39,44)(H,40,45)/t29?,30-,31-,32-/m0/s1
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n/an/a 10.6n/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
In vitro inhibition of opioid receptor mu using isolated guinea pig ileum

J Med Chem 48: 586-92 (2005)


Article DOI: 10.1021/jm049384k
BindingDB Entry DOI: 10.7270/Q26T0M40
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50159682
PNG
((S)-1-[2-Amino-3-(4-hydroxy-2-methyl-phenyl)-propi...)
Show SMILES Cc1cc(O)ccc1CC(N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C33H39N5O5/c1-21-17-25(39)15-14-24(21)20-26(34)33(43)38-16-8-13-29(38)32(42)37-28(19-23-11-6-3-7-12-23)31(41)36-27(30(35)40)18-22-9-4-2-5-10-22/h2-7,9-12,14-15,17,26-29,39H,8,13,16,18-20,34H2,1H3,(H2,35,40)(H,36,41)(H,37,42)/t26?,27-,28-,29-/m0/s1
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n/an/a 28.7n/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
In vitro inhibition of opioid receptor delta using mouse vas deferens

J Med Chem 48: 586-92 (2005)


Article DOI: 10.1021/jm049384k
BindingDB Entry DOI: 10.7270/Q26T0M40
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50159680
PNG
((S)-1-[2-Amino-3-(4-hydroxy-2,3,6-trimethyl-phenyl...)
Show SMILES Cc1cc(O)c(C)c(C)c1CC(N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C35H43N5O5/c1-21-17-31(41)23(3)22(2)26(21)20-27(36)35(45)40-16-10-15-30(40)34(44)39-29(19-25-13-8-5-9-14-25)33(43)38-28(32(37)42)18-24-11-6-4-7-12-24/h4-9,11-14,17,27-30,41H,10,15-16,18-20,36H2,1-3H3,(H2,37,42)(H,38,43)(H,39,44)/t27?,28-,29-,30-/m0/s1
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n/an/a 46.4n/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
In vitro inhibition of opioid receptor delta using mouse vas deferens

J Med Chem 48: 586-92 (2005)


Article DOI: 10.1021/jm049384k
BindingDB Entry DOI: 10.7270/Q26T0M40
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50159684
PNG
((S)-1-[2-Amino-3-(2,6-diethyl-4-hydroxy-phenyl)-pr...)
Show SMILES CCc1cc(O)cc(CC)c1CC(N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C36H45N5O5/c1-3-25-20-27(42)21-26(4-2)28(25)22-29(37)36(46)41-17-11-16-32(41)35(45)40-31(19-24-14-9-6-10-15-24)34(44)39-30(33(38)43)18-23-12-7-5-8-13-23/h5-10,12-15,20-21,29-32,42H,3-4,11,16-19,22,37H2,1-2H3,(H2,38,43)(H,39,44)(H,40,45)/t29?,30-,31-,32-/m0/s1
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n/an/a 47.1n/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
In vitro inhibition of opioid receptor delta using mouse vas deferens

J Med Chem 48: 586-92 (2005)


Article DOI: 10.1021/jm049384k
BindingDB Entry DOI: 10.7270/Q26T0M40
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50159683
PNG
((S)-1-[2-Amino-3-(4-hydroxy-2,6-diisopropyl-phenyl...)
Show SMILES CC(C)c1cc(O)cc(C(C)C)c1CC(N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C38H49N5O5/c1-23(2)28-20-27(44)21-29(24(3)4)30(28)22-31(39)38(48)43-17-11-16-34(43)37(47)42-33(19-26-14-9-6-10-15-26)36(46)41-32(35(40)45)18-25-12-7-5-8-13-25/h5-10,12-15,20-21,23-24,31-34,44H,11,16-19,22,39H2,1-4H3,(H2,40,45)(H,41,46)(H,42,47)/t31?,32-,33-,34-/m0/s1
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n/an/a 299n/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
In vitro inhibition of opioid receptor mu using isolated guinea pig ileum

J Med Chem 48: 586-92 (2005)


Article DOI: 10.1021/jm049384k
BindingDB Entry DOI: 10.7270/Q26T0M40
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50159686
PNG
((S)-1-[2-Amino-3-(4-hydroxy-2-isopropyl-6-methyl-p...)
Show SMILES CC(C)c1cc(O)cc(C)c1CC(N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C36H45N5O5/c1-22(2)27-20-26(42)17-23(3)28(27)21-29(37)36(46)41-16-10-15-32(41)35(45)40-31(19-25-13-8-5-9-14-25)34(44)39-30(33(38)43)18-24-11-6-4-7-12-24/h4-9,11-14,17,20,22,29-32,42H,10,15-16,18-19,21,37H2,1-3H3,(H2,38,43)(H,39,44)(H,40,45)/t29?,30-,31-,32-/m0/s1
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n/an/a 601n/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
In vitro inhibition of opioid receptor delta using mouse vas deferens

J Med Chem 48: 586-92 (2005)


Article DOI: 10.1021/jm049384k
BindingDB Entry DOI: 10.7270/Q26T0M40
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50159683
PNG
((S)-1-[2-Amino-3-(4-hydroxy-2,6-diisopropyl-phenyl...)
Show SMILES CC(C)c1cc(O)cc(C(C)C)c1CC(N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C38H49N5O5/c1-23(2)28-20-27(44)21-29(24(3)4)30(28)22-31(39)38(48)43-17-11-16-34(43)37(47)42-33(19-26-14-9-6-10-15-26)36(46)41-32(35(40)45)18-25-12-7-5-8-13-25/h5-10,12-15,20-21,23-24,31-34,44H,11,16-19,22,39H2,1-4H3,(H2,40,45)(H,41,46)(H,42,47)/t31?,32-,33-,34-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
In vitro inhibition of opioid receptor delta using mouse vas deferens

J Med Chem 48: 586-92 (2005)


Article DOI: 10.1021/jm049384k
BindingDB Entry DOI: 10.7270/Q26T0M40
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%