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PubMed code 22047797

Compile data set for download or QSAR
Found 16 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))		BDBM50359547
PNG
(CHEMBL1927271)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C39H49N7O7/c1-23-17-27(47)18-24(2)28(23)21-29(40)36(50)43-30-15-9-10-16-42-34(48)22-31(35(41)49)44-38(52)32(19-25-11-5-3-6-12-25)46-39(53)33(45-37(30)51)20-26-13-7-4-8-14-26/h3-8,11-14,17-18,29-33,47H,9-10,15-16,19-22,40H2,1-2H3,(H2,41,49)(H,42,48)(H,43,50)(H,44,52)(H,45,51)(H,46,53)/t29-,30+,31-,32-,33-/m0/s1
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n/an/a 0.260n/an/an/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from Wistar rat mu opioid receptor by liquid scintillation counting

Bioorg Med Chem 19: 6977-81 (2011)


Article DOI: 10.1016/j.bmc.2011.10.040
BindingDB Entry DOI: 10.7270/Q2Q52Q1R
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50359546
PNG
(CHEMBL1927270)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C37H45N7O7/c38-27(19-25-14-16-26(45)17-15-25)34(48)41-28-13-7-8-18-40-32(46)22-29(33(39)47)42-36(50)30(20-23-9-3-1-4-10-23)44-37(51)31(43-35(28)49)21-24-11-5-2-6-12-24/h1-6,9-12,14-17,27-31,45H,7-8,13,18-22,38H2,(H2,39,47)(H,40,46)(H,41,48)(H,42,50)(H,43,49)(H,44,51)/t27-,28+,29-,30-,31-/m0/s1
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n/an/a 0.560n/an/an/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from Wistar rat mu opioid receptor by liquid scintillation counting

Bioorg Med Chem 19: 6977-81 (2011)


Article DOI: 10.1016/j.bmc.2011.10.040
BindingDB Entry DOI: 10.7270/Q2Q52Q1R
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/a 0.990n/an/an/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from Wistar rat mu opioid receptor by liquid scintillation counting

Bioorg Med Chem 19: 6977-81 (2011)


Article DOI: 10.1016/j.bmc.2011.10.040
BindingDB Entry DOI: 10.7270/Q2Q52Q1R
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50359551
PNG
(CHEMBL1927275)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C35H47N7O7/c1-20-15-23(43)16-21(2)24(20)18-25(36)32(46)40-27-19-30(44)38-13-7-6-11-26(31(37)45)39-34(48)29-12-8-14-42(29)35(49)28(41-33(27)47)17-22-9-4-3-5-10-22/h3-5,9-10,15-16,25-29,43H,6-8,11-14,17-19,36H2,1-2H3,(H2,37,45)(H,38,44)(H,39,48)(H,40,46)(H,41,47)/t25-,26-,27+,28-,29+/m0/s1
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n/an/a 4.40n/an/an/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from Wistar rat mu opioid receptor by liquid scintillation counting

Bioorg Med Chem 19: 6977-81 (2011)


Article DOI: 10.1016/j.bmc.2011.10.040
BindingDB Entry DOI: 10.7270/Q2Q52Q1R
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50359549
PNG
(CHEMBL1927273)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C35H47N7O7/c1-20-15-23(43)16-21(2)24(20)18-25(36)32(46)39-26-11-6-7-13-38-30(44)19-27(31(37)45)40-34(48)29-12-8-14-42(29)35(49)28(41-33(26)47)17-22-9-4-3-5-10-22/h3-5,9-10,15-16,25-29,43H,6-8,11-14,17-19,36H2,1-2H3,(H2,37,45)(H,38,44)(H,39,46)(H,40,48)(H,41,47)/t25-,26+,27-,28-,29+/m0/s1
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n/an/a 5.60n/an/an/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from Wistar rat mu opioid receptor by liquid scintillation counting

Bioorg Med Chem 19: 6977-81 (2011)


Article DOI: 10.1016/j.bmc.2011.10.040
BindingDB Entry DOI: 10.7270/Q2Q52Q1R
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50359550
PNG
(CHEMBL1927274)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C33H43N7O7/c34-23(17-21-11-13-22(41)14-12-21)30(44)38-25-19-28(42)36-15-5-4-9-24(29(35)43)37-32(46)27-10-6-16-40(27)33(47)26(39-31(25)45)18-20-7-2-1-3-8-20/h1-3,7-8,11-14,23-27,41H,4-6,9-10,15-19,34H2,(H2,35,43)(H,36,42)(H,37,46)(H,38,44)(H,39,45)/t23-,24-,25+,26-,27+/m0/s1
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n/an/a 15.3n/an/an/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from Wistar rat mu opioid receptor by liquid scintillation counting

Bioorg Med Chem 19: 6977-81 (2011)


Article DOI: 10.1016/j.bmc.2011.10.040
BindingDB Entry DOI: 10.7270/Q2Q52Q1R
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50166066
PNG
(CHEMBL362991 | H-Tyr-Pro-Phe-Pro-NH2 | MORPHICEPTI...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(N)=O |r|
Show InChI InChI=1S/C28H35N5O5/c29-21(16-19-10-12-20(34)13-11-19)27(37)33-15-5-9-24(33)26(36)31-22(17-18-6-2-1-3-7-18)28(38)32-14-4-8-23(32)25(30)35/h1-3,6-7,10-13,21-24,34H,4-5,8-9,14-17,29H2,(H2,30,35)(H,31,36)/t21-,22-,23-,24-/m0/s1
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MCE
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n/an/a 56.6n/an/an/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from Wistar rat mu opioid receptor by liquid scintillation counting

Bioorg Med Chem 19: 6977-81 (2011)


Article DOI: 10.1016/j.bmc.2011.10.040
BindingDB Entry DOI: 10.7270/Q2Q52Q1R
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50359551
PNG
(CHEMBL1927275)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C35H47N7O7/c1-20-15-23(43)16-21(2)24(20)18-25(36)32(46)40-27-19-30(44)38-13-7-6-11-26(31(37)45)39-34(48)29-12-8-14-42(29)35(49)28(41-33(27)47)17-22-9-4-3-5-10-22/h3-5,9-10,15-16,25-29,43H,6-8,11-14,17-19,36H2,1-2H3,(H2,37,45)(H,38,44)(H,39,48)(H,40,46)(H,41,47)/t25-,26-,27+,28-,29+/m0/s1
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n/an/a 58.3n/an/an/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Displacement of [3H][Ile5,6]deltorphin 2 from delta opioid receptor in Wistar rat brain membrane by liquid scintillation counting

Bioorg Med Chem 19: 6977-81 (2011)


Article DOI: 10.1016/j.bmc.2011.10.040
BindingDB Entry DOI: 10.7270/Q2Q52Q1R
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50359548
PNG
(CHEMBL1927272)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C33H43N7O7/c34-23(17-21-11-13-22(41)14-12-21)30(44)37-24-9-4-5-15-36-28(42)19-25(29(35)43)38-32(46)27-10-6-16-40(27)33(47)26(39-31(24)45)18-20-7-2-1-3-8-20/h1-3,7-8,11-14,23-27,41H,4-6,9-10,15-19,34H2,(H2,35,43)(H,36,42)(H,37,44)(H,38,46)(H,39,45)/t23-,24+,25-,26-,27+/m0/s1
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n/an/a 89.5n/an/an/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from Wistar rat mu opioid receptor by liquid scintillation counting

Bioorg Med Chem 19: 6977-81 (2011)


Article DOI: 10.1016/j.bmc.2011.10.040
BindingDB Entry DOI: 10.7270/Q2Q52Q1R
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50359549
PNG
(CHEMBL1927273)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C35H47N7O7/c1-20-15-23(43)16-21(2)24(20)18-25(36)32(46)39-26-11-6-7-13-38-30(44)19-27(31(37)45)40-34(48)29-12-8-14-42(29)35(49)28(41-33(26)47)17-22-9-4-3-5-10-22/h3-5,9-10,15-16,25-29,43H,6-8,11-14,17-19,36H2,1-2H3,(H2,37,45)(H,38,44)(H,39,46)(H,40,48)(H,41,47)/t25-,26+,27-,28-,29+/m0/s1
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n/an/a 132n/an/an/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Displacement of [3H][Ile5,6]deltorphin 2 from delta opioid receptor in Wistar rat brain membrane by liquid scintillation counting

Bioorg Med Chem 19: 6977-81 (2011)


Article DOI: 10.1016/j.bmc.2011.10.040
BindingDB Entry DOI: 10.7270/Q2Q52Q1R
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50359546
PNG
(CHEMBL1927270)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C37H45N7O7/c38-27(19-25-14-16-26(45)17-15-25)34(48)41-28-13-7-8-18-40-32(46)22-29(33(39)47)42-36(50)30(20-23-9-3-1-4-10-23)44-37(51)31(43-35(28)49)21-24-11-5-2-6-12-24/h1-6,9-12,14-17,27-31,45H,7-8,13,18-22,38H2,(H2,39,47)(H,40,46)(H,41,48)(H,42,50)(H,43,49)(H,44,51)/t27-,28+,29-,30-,31-/m0/s1
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n/an/a 279n/an/an/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Displacement of [3H][Ile5,6]deltorphin 2 from delta opioid receptor in Wistar rat brain membrane by liquid scintillation counting

Bioorg Med Chem 19: 6977-81 (2011)


Article DOI: 10.1016/j.bmc.2011.10.040
BindingDB Entry DOI: 10.7270/Q2Q52Q1R
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50359547
PNG
(CHEMBL1927271)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C39H49N7O7/c1-23-17-27(47)18-24(2)28(23)21-29(40)36(50)43-30-15-9-10-16-42-34(48)22-31(35(41)49)44-38(52)32(19-25-11-5-3-6-12-25)46-39(53)33(45-37(30)51)20-26-13-7-4-8-14-26/h3-8,11-14,17-18,29-33,47H,9-10,15-16,19-22,40H2,1-2H3,(H2,41,49)(H,42,48)(H,43,50)(H,44,52)(H,45,51)(H,46,53)/t29-,30+,31-,32-,33-/m0/s1
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n/an/a 400n/an/an/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Displacement of [3H][Ile5,6]deltorphin 2 from delta opioid receptor in Wistar rat brain membrane by liquid scintillation counting

Bioorg Med Chem 19: 6977-81 (2011)


Article DOI: 10.1016/j.bmc.2011.10.040
BindingDB Entry DOI: 10.7270/Q2Q52Q1R
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50359550
PNG
(CHEMBL1927274)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C33H43N7O7/c34-23(17-21-11-13-22(41)14-12-21)30(44)38-25-19-28(42)36-15-5-4-9-24(29(35)43)37-32(46)27-10-6-16-40(27)33(47)26(39-31(25)45)18-20-7-2-1-3-8-20/h1-3,7-8,11-14,23-27,41H,4-6,9-10,15-19,34H2,(H2,35,43)(H,36,42)(H,37,46)(H,38,44)(H,39,45)/t23-,24-,25+,26-,27+/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Displacement of [3H][Ile5,6]deltorphin 2 from delta opioid receptor in Wistar rat brain membrane by liquid scintillation counting

Bioorg Med Chem 19: 6977-81 (2011)


Article DOI: 10.1016/j.bmc.2011.10.040
BindingDB Entry DOI: 10.7270/Q2Q52Q1R
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50359548
PNG
(CHEMBL1927272)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C33H43N7O7/c34-23(17-21-11-13-22(41)14-12-21)30(44)37-24-9-4-5-15-36-28(42)19-25(29(35)43)38-32(46)27-10-6-16-40(27)33(47)26(39-31(24)45)18-20-7-2-1-3-8-20/h1-3,7-8,11-14,23-27,41H,4-6,9-10,15-19,34H2,(H2,35,43)(H,36,42)(H,37,44)(H,38,46)(H,39,45)/t23-,24+,25-,26-,27+/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Displacement of [3H][Ile5,6]deltorphin 2 from delta opioid receptor in Wistar rat brain membrane by liquid scintillation counting

Bioorg Med Chem 19: 6977-81 (2011)


Article DOI: 10.1016/j.bmc.2011.10.040
BindingDB Entry DOI: 10.7270/Q2Q52Q1R
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50166066
PNG
(CHEMBL362991 | H-Tyr-Pro-Phe-Pro-NH2 | MORPHICEPTI...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(N)=O |r|
Show InChI InChI=1S/C28H35N5O5/c29-21(16-19-10-12-20(34)13-11-19)27(37)33-15-5-9-24(33)26(36)31-22(17-18-6-2-1-3-7-18)28(38)32-14-4-8-23(32)25(30)35/h1-3,6-7,10-13,21-24,34H,4-5,8-9,14-17,29H2,(H2,30,35)(H,31,36)/t21-,22-,23-,24-/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Displacement of [3H][Ile5,6]deltorphin 2 from delta opioid receptor in Wistar rat brain membrane by liquid scintillation counting

Bioorg Med Chem 19: 6977-81 (2011)


Article DOI: 10.1016/j.bmc.2011.10.040
BindingDB Entry DOI: 10.7270/Q2Q52Q1R
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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n/an/a>1.00E+3n/an/an/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Displacement of [3H][Ile5,6]deltorphin 2 from delta opioid receptor in Wistar rat brain membrane by liquid scintillation counting

Bioorg Med Chem 19: 6977-81 (2011)


Article DOI: 10.1016/j.bmc.2011.10.040
BindingDB Entry DOI: 10.7270/Q2Q52Q1R
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%