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PubMed code 17339114

Compile data set for download or QSAR
Found 27 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50207195
PNG
((S)-N-((S)-5-acetamido-5-(1H-benzo[d]imidazol-2-yl...)
Show SMILES CC(=O)N[C@@H](CCCCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C35H42N6O4/c1-21-16-26(43)17-22(2)27(21)19-28(36)35(45)41-20-25-11-5-4-10-24(25)18-32(41)34(44)37-15-9-8-14-31(38-23(3)42)33-39-29-12-6-7-13-30(29)40-33/h4-7,10-13,16-17,28,31-32,43H,8-9,14-15,18-20,36H2,1-3H3,(H,37,44)(H,38,42)(H,39,40)/t28-,31-,32-/m0/s1
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 0.210n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin 2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane

Bioorg Med Chem 15: 3143-51 (2007)


Article DOI: 10.1016/j.bmc.2007.02.039
BindingDB Entry DOI: 10.7270/Q2ST7PHP
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50207188
PNG
((S)-N-((S)-5-acetamido-6-(benzylamino)-6-oxohexyl)...)
Show SMILES CC(=O)N[C@@H](CCCCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)NCc1ccccc1
Show InChI InChI=1S/C36H45N5O5/c1-23-17-29(43)18-24(2)30(23)20-31(37)36(46)41-22-28-14-8-7-13-27(28)19-33(41)35(45)38-16-10-9-15-32(40-25(3)42)34(44)39-21-26-11-5-4-6-12-26/h4-8,11-14,17-18,31-33,43H,9-10,15-16,19-22,37H2,1-3H3,(H,38,45)(H,39,44)(H,40,42)/t31-,32-,33-/m0/s1
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 0.210n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin 2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane

Bioorg Med Chem 15: 3143-51 (2007)


Article DOI: 10.1016/j.bmc.2007.02.039
BindingDB Entry DOI: 10.7270/Q2ST7PHP
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50207196
PNG
((S)-N-((S)-5-acetamido-6-oxo-6-(phenylamino)hexyl)...)
Show SMILES CC(=O)N[C@@H](CCCCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)Nc1ccccc1
Show InChI InChI=1S/C35H43N5O5/c1-22-17-28(42)18-23(2)29(22)20-30(36)35(45)40-21-26-12-8-7-11-25(26)19-32(40)34(44)37-16-10-9-15-31(38-24(3)41)33(43)39-27-13-5-4-6-14-27/h4-8,11-14,17-18,30-32,42H,9-10,15-16,19-21,36H2,1-3H3,(H,37,44)(H,38,41)(H,39,43)/t30-,31-,32-/m0/s1
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 0.220n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin 2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane

Bioorg Med Chem 15: 3143-51 (2007)


Article DOI: 10.1016/j.bmc.2007.02.039
BindingDB Entry DOI: 10.7270/Q2ST7PHP
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50207190
PNG
(CHEMBL396423 | benzyl (S)-6-((S)-2-((S)-2-amino-3-...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C41H47N5O6/c1-27-21-33(47)22-28(2)34(27)24-35(42)40(50)46-25-31-16-10-9-15-30(31)23-37(46)39(49)43-20-12-11-19-36(38(48)44-32-17-7-4-8-18-32)45-41(51)52-26-29-13-5-3-6-14-29/h3-10,13-18,21-22,35-37,47H,11-12,19-20,23-26,42H2,1-2H3,(H,43,49)(H,44,48)(H,45,51)/t35-,36-,37-/m0/s1
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 0.470n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin 2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane

Bioorg Med Chem 15: 3143-51 (2007)


Article DOI: 10.1016/j.bmc.2007.02.039
BindingDB Entry DOI: 10.7270/Q2ST7PHP
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50207194
PNG
(CHEMBL232812 | benzyl (S)-6-((S)-2-((S)-2-amino-3-...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C42H49N5O6/c1-28-21-34(48)22-29(2)35(28)24-36(43)41(51)47-26-33-18-10-9-17-32(33)23-38(47)40(50)44-20-12-11-19-37(39(49)45-25-30-13-5-3-6-14-30)46-42(52)53-27-31-15-7-4-8-16-31/h3-10,13-18,21-22,36-38,48H,11-12,19-20,23-27,43H2,1-2H3,(H,44,50)(H,45,49)(H,46,52)/t36-,37-,38-/m0/s1
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 0.530n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin 2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane

Bioorg Med Chem 15: 3143-51 (2007)


Article DOI: 10.1016/j.bmc.2007.02.039
BindingDB Entry DOI: 10.7270/Q2ST7PHP
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50207192
PNG
((S)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCCC[C@H](N)C(=O)NCc1ccccc1
Show InChI InChI=1S/C34H43N5O4/c1-22-16-27(40)17-23(2)28(22)19-30(36)34(43)39-21-26-13-7-6-12-25(26)18-31(39)33(42)37-15-9-8-14-29(35)32(41)38-20-24-10-4-3-5-11-24/h3-7,10-13,16-17,29-31,40H,8-9,14-15,18-21,35-36H2,1-2H3,(H,37,42)(H,38,41)/t29-,30-,31-/m0/s1
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 0.600n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO 2 from mu opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane

Bioorg Med Chem 15: 3143-51 (2007)


Article DOI: 10.1016/j.bmc.2007.02.039
BindingDB Entry DOI: 10.7270/Q2ST7PHP
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50207189
PNG
(CHEMBL438681 | benzyl (S)-5-((S)-2-((S)-2-amino-3-...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C41H46N6O5/c1-26-20-31(48)21-27(2)32(26)23-33(42)40(50)47-24-30-15-7-6-14-29(30)22-37(47)39(49)43-19-11-10-18-36(38-44-34-16-8-9-17-35(34)45-38)46-41(51)52-25-28-12-4-3-5-13-28/h3-9,12-17,20-21,33,36-37,48H,10-11,18-19,22-25,42H2,1-2H3,(H,43,49)(H,44,45)(H,46,51)/t33-,36-,37-/m0/s1
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 0.860n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin 2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane

Bioorg Med Chem 15: 3143-51 (2007)


Article DOI: 10.1016/j.bmc.2007.02.039
BindingDB Entry DOI: 10.7270/Q2ST7PHP
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50207193
PNG
((S)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCCC[C@H](N)C(=O)Nc1ccccc1
Show InChI InChI=1S/C33H41N5O4/c1-21-16-26(39)17-22(2)27(21)19-29(35)33(42)38-20-24-11-7-6-10-23(24)18-30(38)32(41)36-15-9-8-14-28(34)31(40)37-25-12-4-3-5-13-25/h3-7,10-13,16-17,28-30,39H,8-9,14-15,18-20,34-35H2,1-2H3,(H,36,41)(H,37,40)/t28-,29-,30-/m0/s1
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 0.890n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO 2 from mu opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane

Bioorg Med Chem 15: 3143-51 (2007)


Article DOI: 10.1016/j.bmc.2007.02.039
BindingDB Entry DOI: 10.7270/Q2ST7PHP
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50207195
PNG
((S)-N-((S)-5-acetamido-5-(1H-benzo[d]imidazol-2-yl...)
Show SMILES CC(=O)N[C@@H](CCCCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C35H42N6O4/c1-21-16-26(43)17-22(2)27(21)19-28(36)35(45)41-20-25-11-5-4-10-24(25)18-32(41)34(44)37-15-9-8-14-31(38-23(3)42)33-39-29-12-6-7-13-30(29)40-33/h4-7,10-13,16-17,28,31-32,43H,8-9,14-15,18-20,36H2,1-3H3,(H,37,44)(H,38,42)(H,39,40)/t28-,31-,32-/m0/s1
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 0.990n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO 2 from mu opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane

Bioorg Med Chem 15: 3143-51 (2007)


Article DOI: 10.1016/j.bmc.2007.02.039
BindingDB Entry DOI: 10.7270/Q2ST7PHP
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50207192
PNG
((S)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCCC[C@H](N)C(=O)NCc1ccccc1
Show InChI InChI=1S/C34H43N5O4/c1-22-16-27(40)17-23(2)28(22)19-30(36)34(43)39-21-26-13-7-6-12-25(26)18-31(39)33(42)37-15-9-8-14-29(35)32(41)38-20-24-10-4-3-5-11-24/h3-7,10-13,16-17,29-31,40H,8-9,14-15,18-21,35-36H2,1-2H3,(H,37,42)(H,38,41)/t29-,30-,31-/m0/s1
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 1n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin 2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane

Bioorg Med Chem 15: 3143-51 (2007)


Article DOI: 10.1016/j.bmc.2007.02.039
BindingDB Entry DOI: 10.7270/Q2ST7PHP
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50207191
PNG
((S)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCCC[C@H](N)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C33H40N6O3/c1-20-15-24(40)16-21(2)25(20)18-27(35)33(42)39-19-23-10-4-3-9-22(23)17-30(39)32(41)36-14-8-7-11-26(34)31-37-28-12-5-6-13-29(28)38-31/h3-6,9-10,12-13,15-16,26-27,30,40H,7-8,11,14,17-19,34-35H2,1-2H3,(H,36,41)(H,37,38)/t26-,27-,30-/m0/s1
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 1.02n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO 2 from mu opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane

Bioorg Med Chem 15: 3143-51 (2007)


Article DOI: 10.1016/j.bmc.2007.02.039
BindingDB Entry DOI: 10.7270/Q2ST7PHP
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50207193
PNG
((S)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCCC[C@H](N)C(=O)Nc1ccccc1
Show InChI InChI=1S/C33H41N5O4/c1-21-16-26(39)17-22(2)27(21)19-29(35)33(42)38-20-24-11-7-6-10-23(24)18-30(38)32(41)36-15-9-8-14-28(34)31(40)37-25-12-4-3-5-13-25/h3-7,10-13,16-17,28-30,39H,8-9,14-15,18-20,34-35H2,1-2H3,(H,36,41)(H,37,40)/t28-,29-,30-/m0/s1
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 2.02n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin 2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane

Bioorg Med Chem 15: 3143-51 (2007)


Article DOI: 10.1016/j.bmc.2007.02.039
BindingDB Entry DOI: 10.7270/Q2ST7PHP
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50207196
PNG
((S)-N-((S)-5-acetamido-6-oxo-6-(phenylamino)hexyl)...)
Show SMILES CC(=O)N[C@@H](CCCCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)Nc1ccccc1
Show InChI InChI=1S/C35H43N5O5/c1-22-17-28(42)18-23(2)29(22)20-30(36)35(45)40-21-26-12-8-7-11-25(26)19-32(40)34(44)37-16-10-9-15-31(38-24(3)41)33(43)39-27-13-5-4-6-14-27/h4-8,11-14,17-18,30-32,42H,9-10,15-16,19-21,36H2,1-3H3,(H,37,44)(H,38,41)(H,39,43)/t30-,31-,32-/m0/s1
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 2.57n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO 2 from mu opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane

Bioorg Med Chem 15: 3143-51 (2007)


Article DOI: 10.1016/j.bmc.2007.02.039
BindingDB Entry DOI: 10.7270/Q2ST7PHP
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50207191
PNG
((S)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCCC[C@H](N)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C33H40N6O3/c1-20-15-24(40)16-21(2)25(20)18-27(35)33(42)39-19-23-10-4-3-9-22(23)17-30(39)32(41)36-14-8-7-11-26(34)31-37-28-12-5-6-13-29(28)38-31/h3-6,9-10,12-13,15-16,26-27,30,40H,7-8,11,14,17-19,34-35H2,1-2H3,(H,36,41)(H,37,38)/t26-,27-,30-/m0/s1
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 2.64n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin 2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane

Bioorg Med Chem 15: 3143-51 (2007)


Article DOI: 10.1016/j.bmc.2007.02.039
BindingDB Entry DOI: 10.7270/Q2ST7PHP
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50207190
PNG
(CHEMBL396423 | benzyl (S)-6-((S)-2-((S)-2-amino-3-...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C41H47N5O6/c1-27-21-33(47)22-28(2)34(27)24-35(42)40(50)46-25-31-16-10-9-15-30(31)23-37(46)39(49)43-20-12-11-19-36(38(48)44-32-17-7-4-8-18-32)45-41(51)52-26-29-13-5-3-6-14-29/h3-10,13-18,21-22,35-37,47H,11-12,19-20,23-26,42H2,1-2H3,(H,43,49)(H,44,48)(H,45,51)/t35-,36-,37-/m0/s1
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PubMed
 2.67n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO 2 from mu opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane

Bioorg Med Chem 15: 3143-51 (2007)


Article DOI: 10.1016/j.bmc.2007.02.039
BindingDB Entry DOI: 10.7270/Q2ST7PHP
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50207189
PNG
(CHEMBL438681 | benzyl (S)-5-((S)-2-((S)-2-amino-3-...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C41H46N6O5/c1-26-20-31(48)21-27(2)32(26)23-33(42)40(50)47-24-30-15-7-6-14-29(30)22-37(47)39(49)43-19-11-10-18-36(38-44-34-16-8-9-17-35(34)45-38)46-41(51)52-25-28-12-4-3-5-13-28/h3-9,12-17,20-21,33,36-37,48H,10-11,18-19,22-25,42H2,1-2H3,(H,43,49)(H,44,45)(H,46,51)/t33-,36-,37-/m0/s1
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 2.78n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO 2 from mu opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane

Bioorg Med Chem 15: 3143-51 (2007)


Article DOI: 10.1016/j.bmc.2007.02.039
BindingDB Entry DOI: 10.7270/Q2ST7PHP
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50207194
PNG
(CHEMBL232812 | benzyl (S)-6-((S)-2-((S)-2-amino-3-...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C42H49N5O6/c1-28-21-34(48)22-29(2)35(28)24-36(43)41(51)47-26-33-18-10-9-17-32(33)23-38(47)40(50)44-20-12-11-19-37(39(49)45-25-30-13-5-3-6-14-30)46-42(52)53-27-31-15-7-4-8-16-31/h3-10,13-18,21-22,36-38,48H,11-12,19-20,23-27,43H2,1-2H3,(H,44,50)(H,45,49)(H,46,52)/t36-,37-,38-/m0/s1
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 3.15n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO 2 from mu opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane

Bioorg Med Chem 15: 3143-51 (2007)


Article DOI: 10.1016/j.bmc.2007.02.039
BindingDB Entry DOI: 10.7270/Q2ST7PHP
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50207188
PNG
((S)-N-((S)-5-acetamido-6-(benzylamino)-6-oxohexyl)...)
Show SMILES CC(=O)N[C@@H](CCCCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)NCc1ccccc1
Show InChI InChI=1S/C36H45N5O5/c1-23-17-29(43)18-24(2)30(23)20-31(37)36(46)41-22-28-14-8-7-13-27(28)19-33(41)35(45)38-16-10-9-15-32(40-25(3)42)34(44)39-21-26-11-5-4-6-12-26/h4-8,11-14,17-18,31-33,43H,9-10,15-16,19-22,37H2,1-3H3,(H,38,45)(H,39,44)(H,40,42)/t31-,32-,33-/m0/s1
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 3.43n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO 2 from mu opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane

Bioorg Med Chem 15: 3143-51 (2007)


Article DOI: 10.1016/j.bmc.2007.02.039
BindingDB Entry DOI: 10.7270/Q2ST7PHP
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50207191
PNG
((S)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCCC[C@H](N)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C33H40N6O3/c1-20-15-24(40)16-21(2)25(20)18-27(35)33(42)39-19-23-10-4-3-9-22(23)17-30(39)32(41)36-14-8-7-11-26(34)31-37-28-12-5-6-13-29(28)38-31/h3-6,9-10,12-13,15-16,26-27,30,40H,7-8,11,14,17-19,34-35H2,1-2H3,(H,36,41)(H,37,38)/t26-,27-,30-/m0/s1
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n/an/a 434n/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Agonist activity at mu opioid receptor in Hartley guinea pig ileum assessed as inhibition of electrically-stimulated contraction

Bioorg Med Chem 15: 3143-51 (2007)


Article DOI: 10.1016/j.bmc.2007.02.039
BindingDB Entry DOI: 10.7270/Q2ST7PHP
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50207196
PNG
((S)-N-((S)-5-acetamido-6-oxo-6-(phenylamino)hexyl)...)
Show SMILES CC(=O)N[C@@H](CCCCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)Nc1ccccc1
Show InChI InChI=1S/C35H43N5O5/c1-22-17-28(42)18-23(2)29(22)20-30(36)35(45)40-21-26-12-8-7-11-25(26)19-32(40)34(44)37-16-10-9-15-31(38-24(3)41)33(43)39-27-13-5-4-6-14-27/h4-8,11-14,17-18,30-32,42H,9-10,15-16,19-21,36H2,1-3H3,(H,37,44)(H,38,41)(H,39,43)/t30-,31-,32-/m0/s1
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n/an/a 486n/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Agonist activity at mu opioid receptor in Hartley guinea pig ileum assessed as inhibition of electrically-stimulated contraction

Bioorg Med Chem 15: 3143-51 (2007)


Article DOI: 10.1016/j.bmc.2007.02.039
BindingDB Entry DOI: 10.7270/Q2ST7PHP
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50207193
PNG
((S)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCCC[C@H](N)C(=O)Nc1ccccc1
Show InChI InChI=1S/C33H41N5O4/c1-21-16-26(39)17-22(2)27(21)19-29(35)33(42)38-20-24-11-7-6-10-23(24)18-30(38)32(41)36-15-9-8-14-28(34)31(40)37-25-12-4-3-5-13-25/h3-7,10-13,16-17,28-30,39H,8-9,14-15,18-20,34-35H2,1-2H3,(H,36,41)(H,37,40)/t28-,29-,30-/m0/s1
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n/an/a 515n/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Agonist activity at mu opioid receptor in Hartley guinea pig ileum assessed as inhibition of electrically-stimulated contraction

Bioorg Med Chem 15: 3143-51 (2007)


Article DOI: 10.1016/j.bmc.2007.02.039
BindingDB Entry DOI: 10.7270/Q2ST7PHP
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50207192
PNG
((S)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCCC[C@H](N)C(=O)NCc1ccccc1
Show InChI InChI=1S/C34H43N5O4/c1-22-16-27(40)17-23(2)28(22)19-30(36)34(43)39-21-26-13-7-6-12-25(26)18-31(39)33(42)37-15-9-8-14-29(35)32(41)38-20-24-10-4-3-5-11-24/h3-7,10-13,16-17,29-31,40H,8-9,14-15,18-21,35-36H2,1-2H3,(H,37,42)(H,38,41)/t29-,30-,31-/m0/s1
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n/an/a 553n/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Agonist activity at mu opioid receptor in Hartley guinea pig ileum assessed as inhibition of electrically-stimulated contraction

Bioorg Med Chem 15: 3143-51 (2007)


Article DOI: 10.1016/j.bmc.2007.02.039
BindingDB Entry DOI: 10.7270/Q2ST7PHP
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50207195
PNG
((S)-N-((S)-5-acetamido-5-(1H-benzo[d]imidazol-2-yl...)
Show SMILES CC(=O)N[C@@H](CCCCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C35H42N6O4/c1-21-16-26(43)17-22(2)27(21)19-28(36)35(45)41-20-25-11-5-4-10-24(25)18-32(41)34(44)37-15-9-8-14-31(38-23(3)42)33-39-29-12-6-7-13-30(29)40-33/h4-7,10-13,16-17,28,31-32,43H,8-9,14-15,18-20,36H2,1-3H3,(H,37,44)(H,38,42)(H,39,40)/t28-,31-,32-/m0/s1
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n/an/a 610n/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Agonist activity at mu opioid receptor in Hartley guinea pig ileum assessed as inhibition of electrically-stimulated contraction

Bioorg Med Chem 15: 3143-51 (2007)


Article DOI: 10.1016/j.bmc.2007.02.039
BindingDB Entry DOI: 10.7270/Q2ST7PHP
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50207189
PNG
(CHEMBL438681 | benzyl (S)-5-((S)-2-((S)-2-amino-3-...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C41H46N6O5/c1-26-20-31(48)21-27(2)32(26)23-33(42)40(50)47-24-30-15-7-6-14-29(30)22-37(47)39(49)43-19-11-10-18-36(38-44-34-16-8-9-17-35(34)45-38)46-41(51)52-25-28-12-4-3-5-13-28/h3-9,12-17,20-21,33,36-37,48H,10-11,18-19,22-25,42H2,1-2H3,(H,43,49)(H,44,45)(H,46,51)/t33-,36-,37-/m0/s1
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n/an/a 618n/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Agonist activity at mu opioid receptor in Hartley guinea pig ileum assessed as inhibition of electrically-stimulated contraction

Bioorg Med Chem 15: 3143-51 (2007)


Article DOI: 10.1016/j.bmc.2007.02.039
BindingDB Entry DOI: 10.7270/Q2ST7PHP
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50207190
PNG
(CHEMBL396423 | benzyl (S)-6-((S)-2-((S)-2-amino-3-...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C41H47N5O6/c1-27-21-33(47)22-28(2)34(27)24-35(42)40(50)46-25-31-16-10-9-15-30(31)23-37(46)39(49)43-20-12-11-19-36(38(48)44-32-17-7-4-8-18-32)45-41(51)52-26-29-13-5-3-6-14-29/h3-10,13-18,21-22,35-37,47H,11-12,19-20,23-26,42H2,1-2H3,(H,43,49)(H,44,48)(H,45,51)/t35-,36-,37-/m0/s1
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n/an/a 711n/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Agonist activity at mu opioid receptor in Hartley guinea pig ileum assessed as inhibition of electrically-stimulated contraction

Bioorg Med Chem 15: 3143-51 (2007)


Article DOI: 10.1016/j.bmc.2007.02.039
BindingDB Entry DOI: 10.7270/Q2ST7PHP
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50207194
PNG
(CHEMBL232812 | benzyl (S)-6-((S)-2-((S)-2-amino-3-...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C42H49N5O6/c1-28-21-34(48)22-29(2)35(28)24-36(43)41(51)47-26-33-18-10-9-17-32(33)23-38(47)40(50)44-20-12-11-19-37(39(49)45-25-30-13-5-3-6-14-30)46-42(52)53-27-31-15-7-4-8-16-31/h3-10,13-18,21-22,36-38,48H,11-12,19-20,23-27,43H2,1-2H3,(H,44,50)(H,45,49)(H,46,52)/t36-,37-,38-/m0/s1
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n/an/a 1.45E+3n/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Agonist activity at mu opioid receptor in Hartley guinea pig ileum assessed as inhibition of electrically-stimulated contraction

Bioorg Med Chem 15: 3143-51 (2007)


Article DOI: 10.1016/j.bmc.2007.02.039
BindingDB Entry DOI: 10.7270/Q2ST7PHP
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50207188
PNG
((S)-N-((S)-5-acetamido-6-(benzylamino)-6-oxohexyl)...)
Show SMILES CC(=O)N[C@@H](CCCCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)NCc1ccccc1
Show InChI InChI=1S/C36H45N5O5/c1-23-17-29(43)18-24(2)30(23)20-31(37)36(46)41-22-28-14-8-7-13-27(28)19-33(41)35(45)38-16-10-9-15-32(40-25(3)42)34(44)39-21-26-11-5-4-6-12-26/h4-8,11-14,17-18,31-33,43H,9-10,15-16,19-22,37H2,1-3H3,(H,38,45)(H,39,44)(H,40,42)/t31-,32-,33-/m0/s1
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n/an/a 1.99E+3n/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Agonist activity at mu opioid receptor in Hartley guinea pig ileum assessed as inhibition of electrically-stimulated contraction

Bioorg Med Chem 15: 3143-51 (2007)


Article DOI: 10.1016/j.bmc.2007.02.039
BindingDB Entry DOI: 10.7270/Q2ST7PHP
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%