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PubMed code 16107162

Compile data set for download or QSAR
Found 10 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


(GUINEA PIG)		BDBM50172014
PNG
(CHEMBL371856 | H-Dmt-D-Arg(NO2)-Phe-Lys(Z)-NH2)
Show SMILES Cc1cc(O)cc(C)c1CC(N)C(=O)N[C@H](CCCN=C(N)N[N+]([O-])=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(N)=O |w:19.19|
Show InChI InChI=1S/C40H54N10O9/c1-25-20-29(51)21-26(2)30(25)23-31(41)36(53)47-33(17-11-19-44-39(43)49-50(57)58)37(54)48-34(22-27-12-5-3-6-13-27)38(55)46-32(35(42)52)16-9-10-18-45-40(56)59-24-28-14-7-4-8-15-28/h3-8,12-15,20-21,31-34,51H,9-11,16-19,22-24,41H2,1-2H3,(H2,42,52)(H,45,56)(H,46,55)(H,47,53)(H,48,54)(H3,43,44,49)/t31?,32-,33+,34-/m0/s1
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n/an/a 0.509n/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Agonist activity against mu opioid receptor of guinea pig ileum

J Med Chem 48: 5608-11 (2005)


Article DOI: 10.1021/jm0504959
BindingDB Entry DOI: 10.7270/Q2222T9N
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50010483
PNG
(CHEMBL2181202)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O |r|
Show InChI InChI=1S/C32H49N9O5/c1-19-15-22(42)16-20(2)23(19)18-24(34)29(44)40-26(12-8-14-38-32(36)37)30(45)41-27(17-21-9-4-3-5-10-21)31(46)39-25(28(35)43)11-6-7-13-33/h3-5,9-10,15-16,24-27,42H,6-8,11-14,17-18,33-34H2,1-2H3,(H2,35,43)(H,39,46)(H,40,44)(H,41,45)(H4,36,37,38)/t24-,25-,26+,27-/m0/s1
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n/an/a 1.40n/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Agonist activity against mu opioid receptor of guinea pig ileum

J Med Chem 48: 5608-11 (2005)


Article DOI: 10.1021/jm0504959
BindingDB Entry DOI: 10.7270/Q2222T9N
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50172014
PNG
(CHEMBL371856 | H-Dmt-D-Arg(NO2)-Phe-Lys(Z)-NH2)
Show SMILES Cc1cc(O)cc(C)c1CC(N)C(=O)N[C@H](CCCN=C(N)N[N+]([O-])=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(N)=O |w:19.19|
Show InChI InChI=1S/C40H54N10O9/c1-25-20-29(51)21-26(2)30(25)23-31(41)36(53)47-33(17-11-19-44-39(43)49-50(57)58)37(54)48-34(22-27-12-5-3-6-13-27)38(55)46-32(35(42)52)16-9-10-18-45-40(56)59-24-28-14-7-4-8-15-28/h3-8,12-15,20-21,31-34,51H,9-11,16-19,22-24,41H2,1-2H3,(H2,42,52)(H,45,56)(H,46,55)(H,47,53)(H,48,54)(H3,43,44,49)/t31?,32-,33+,34-/m0/s1
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n/an/a 1.70n/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Agonistic activity against delta opioid receptor of mouse vas deferens assay

J Med Chem 48: 5608-11 (2005)


Article DOI: 10.1021/jm0504959
BindingDB Entry DOI: 10.7270/Q2222T9N
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50010483
PNG
(CHEMBL2181202)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O |r|
Show InChI InChI=1S/C32H49N9O5/c1-19-15-22(42)16-20(2)23(19)18-24(34)29(44)40-26(12-8-14-38-32(36)37)30(45)41-27(17-21-9-4-3-5-10-21)31(46)39-25(28(35)43)11-6-7-13-33/h3-5,9-10,15-16,24-27,42H,6-8,11-14,17-18,33-34H2,1-2H3,(H2,35,43)(H,39,46)(H,40,44)(H,41,45)(H4,36,37,38)/t24-,25-,26+,27-/m0/s1
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n/an/a 23n/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Agonistic activity against delta opioid receptor of mouse vas deferens assay

J Med Chem 48: 5608-11 (2005)


Article DOI: 10.1021/jm0504959
BindingDB Entry DOI: 10.7270/Q2222T9N
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50172013
PNG
(CHEMBL370701 | H-Dmt-D-Arg(NO2)-Phe-Lys(Z)-OH)
Show SMILES Cc1cc(O)cc(C)c1CC(N)C(=O)N[C@H](CCCN=C(N)N[N+]([O-])=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(O)=O |w:19.19|
Show InChI InChI=1S/C40H53N9O10/c1-25-20-29(50)21-26(2)30(25)23-31(41)35(51)45-32(17-11-19-43-39(42)48-49(57)58)36(52)47-34(22-27-12-5-3-6-13-27)37(53)46-33(38(54)55)16-9-10-18-44-40(56)59-24-28-14-7-4-8-15-28/h3-8,12-15,20-21,31-34,50H,9-11,16-19,22-24,41H2,1-2H3,(H,44,56)(H,45,51)(H,46,53)(H,47,52)(H,54,55)(H3,42,43,48)/t31?,32-,33+,34+/m1/s1
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n/an/a 63n/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Agonist activity against mu opioid receptor of guinea pig ileum

J Med Chem 48: 5608-11 (2005)


Article DOI: 10.1021/jm0504959
BindingDB Entry DOI: 10.7270/Q2222T9N
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50172013
PNG
(CHEMBL370701 | H-Dmt-D-Arg(NO2)-Phe-Lys(Z)-OH)
Show SMILES Cc1cc(O)cc(C)c1CC(N)C(=O)N[C@H](CCCN=C(N)N[N+]([O-])=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(O)=O |w:19.19|
Show InChI InChI=1S/C40H53N9O10/c1-25-20-29(50)21-26(2)30(25)23-31(41)35(51)45-32(17-11-19-43-39(42)48-49(57)58)36(52)47-34(22-27-12-5-3-6-13-27)37(53)46-33(38(54)55)16-9-10-18-44-40(56)59-24-28-14-7-4-8-15-28/h3-8,12-15,20-21,31-34,50H,9-11,16-19,22-24,41H2,1-2H3,(H,44,56)(H,45,51)(H,46,53)(H,47,52)(H,54,55)(H3,42,43,48)/t31?,32-,33+,34+/m1/s1
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n/an/a 682n/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Agonistic activity against delta opioid receptor of mouse vas deferens assay

J Med Chem 48: 5608-11 (2005)


Article DOI: 10.1021/jm0504959
BindingDB Entry DOI: 10.7270/Q2222T9N
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50172017
PNG
(CHEMBL3143756 | {(S)-5-[(S)-2-({2-[2-Amino-3-(4-hy...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(N)=O
Show InChI InChI=1S/C44H52N6O7/c1-28-21-34(51)22-29(2)35(28)25-36(45)43(55)50-26-33-18-10-9-17-32(33)24-39(50)42(54)49-38(23-30-13-5-3-6-14-30)41(53)48-37(40(46)52)19-11-12-20-47-44(56)57-27-31-15-7-4-8-16-31/h3-10,13-18,21-22,36-39,51H,11-12,19-20,23-27,45H2,1-2H3,(H2,46,52)(H,47,56)(H,48,53)(H,49,54)/t36?,37-,38-,39?/m0/s1
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n/an/a 1.89E+3n/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Agonist activity against mu opioid receptor of guinea pig ileum

J Med Chem 48: 5608-11 (2005)


Article DOI: 10.1021/jm0504959
BindingDB Entry DOI: 10.7270/Q2222T9N
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50172015
PNG
((S)-2-[(S)-2-({2-[2-Amino-3-(4-hydroxy-2,6-dimethy...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(O)=O
Show InChI InChI=1S/C44H51N5O8/c1-28-21-34(50)22-29(2)35(28)25-36(45)42(53)49-26-33-18-10-9-17-32(33)24-39(49)41(52)48-38(23-30-13-5-3-6-14-30)40(51)47-37(43(54)55)19-11-12-20-46-44(56)57-27-31-15-7-4-8-16-31/h3-10,13-18,21-22,36-39,50H,11-12,19-20,23-27,45H2,1-2H3,(H,46,56)(H,47,51)(H,48,52)(H,54,55)/t36?,37-,38-,39?/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Agonistic activity against delta opioid receptor of mouse vas deferens assay

J Med Chem 48: 5608-11 (2005)


Article DOI: 10.1021/jm0504959
BindingDB Entry DOI: 10.7270/Q2222T9N
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50172017
PNG
(CHEMBL3143756 | {(S)-5-[(S)-2-({2-[2-Amino-3-(4-hy...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(N)=O
Show InChI InChI=1S/C44H52N6O7/c1-28-21-34(51)22-29(2)35(28)25-36(45)43(55)50-26-33-18-10-9-17-32(33)24-39(50)42(54)49-38(23-30-13-5-3-6-14-30)41(53)48-37(40(46)52)19-11-12-20-47-44(56)57-27-31-15-7-4-8-16-31/h3-10,13-18,21-22,36-39,51H,11-12,19-20,23-27,45H2,1-2H3,(H2,46,52)(H,47,56)(H,48,53)(H,49,54)/t36?,37-,38-,39?/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Agonistic activity against delta opioid receptor of mouse vas deferens assay

J Med Chem 48: 5608-11 (2005)


Article DOI: 10.1021/jm0504959
BindingDB Entry DOI: 10.7270/Q2222T9N
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50172015
PNG
((S)-2-[(S)-2-({2-[2-Amino-3-(4-hydroxy-2,6-dimethy...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(O)=O
Show InChI InChI=1S/C44H51N5O8/c1-28-21-34(50)22-29(2)35(28)25-36(45)42(53)49-26-33-18-10-9-17-32(33)24-39(49)41(52)48-38(23-30-13-5-3-6-14-30)40(51)47-37(43(54)55)19-11-12-20-46-44(56)57-27-31-15-7-4-8-16-31/h3-10,13-18,21-22,36-39,50H,11-12,19-20,23-27,45H2,1-2H3,(H,46,56)(H,47,51)(H,48,52)(H,54,55)/t36?,37-,38-,39?/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Agonist activity against mu opioid receptor of guinea pig ileum

J Med Chem 48: 5608-11 (2005)


Article DOI: 10.1021/jm0504959
BindingDB Entry DOI: 10.7270/Q2222T9N
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%