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PubMed code 18329886

Compile data set for download or QSAR
Found 15 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


(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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Article
PubMed
1.45n/an/an/an/an/an/an/an/a



University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in human SH-SY5Y cells


Bioorg Med Chem 16: 4341-6 (2008)


Article DOI: 10.1016/j.bmc.2008.02.074
BindingDB Entry DOI: 10.7270/Q2MG7P8J
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50080456
PNG
((S)-2-[(S)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-pheny...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1S/C28H38N6O6/c1-17(2)12-22(26(30)38)34-28(40)23(14-18-6-4-3-5-7-18)33-25(37)16-31-24(36)15-32-27(39)21(29)13-19-8-10-20(35)11-9-19/h3-11,17,21-23,35H,12-16,29H2,1-2H3,(H2,30,38)(H,31,36)(H,32,39)(H,33,37)(H,34,40)/t21-,22-,23-/m0/s1
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11.4n/an/an/an/an/an/an/an/a



University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in human SH-SY5Y cells


Bioorg Med Chem 16: 4341-6 (2008)


Article DOI: 10.1016/j.bmc.2008.02.074
BindingDB Entry DOI: 10.7270/Q2MG7P8J
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50261483
PNG
(CHEMBL504973 | YGGWL-NH2)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1S/C30H39N7O6/c1-17(2)11-24(28(32)41)37-30(43)25(13-19-14-33-23-6-4-3-5-21(19)23)36-27(40)16-34-26(39)15-35-29(42)22(31)12-18-7-9-20(38)10-8-18/h3-10,14,17,22,24-25,33,38H,11-13,15-16,31H2,1-2H3,(H2,32,41)(H,34,39)(H,35,42)(H,36,40)(H,37,43)/t22-,24-,25-/m0/s1
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12.1n/an/an/an/an/an/an/an/a



University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in human SH-SY5Y cells


Bioorg Med Chem 16: 4341-6 (2008)


Article DOI: 10.1016/j.bmc.2008.02.074
BindingDB Entry DOI: 10.7270/Q2MG7P8J
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50261526
PNG
(Ac-YGGFL-NH2 | CHEMBL500212)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(N)=O |r|
Show InChI InChI=1S/C30H40N6O7/c1-18(2)13-23(28(31)41)36-30(43)25(14-20-7-5-4-6-8-20)35-27(40)17-32-26(39)16-33-29(42)24(34-19(3)37)15-21-9-11-22(38)12-10-21/h4-12,18,23-25,38H,13-17H2,1-3H3,(H2,31,41)(H,32,39)(H,33,42)(H,34,37)(H,35,40)(H,36,43)/t23-,24-,25-/m0/s1
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37.3n/an/an/an/an/an/an/an/a



University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in human SH-SY5Y cells


Bioorg Med Chem 16: 4341-6 (2008)


Article DOI: 10.1016/j.bmc.2008.02.074
BindingDB Entry DOI: 10.7270/Q2MG7P8J
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50261480
PNG
(CHEMBL512955 | YPWA-NH2)
Show SMILES C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1S/C28H34N6O5/c1-16(25(30)36)32-26(37)23(14-18-15-31-22-6-3-2-5-20(18)22)33-27(38)24-7-4-12-34(24)28(39)21(29)13-17-8-10-19(35)11-9-17/h2-3,5-6,8-11,15-16,21,23-24,31,35H,4,7,12-14,29H2,1H3,(H2,30,36)(H,32,37)(H,33,38)/t16-,21-,23-,24-/m0/s1
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PubMed
72.7n/an/an/an/an/an/an/an/a



University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in human SH-SY5Y cells


Bioorg Med Chem 16: 4341-6 (2008)


Article DOI: 10.1016/j.bmc.2008.02.074
BindingDB Entry DOI: 10.7270/Q2MG7P8J
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50261527
PNG
(CHEMBL455502 | YGWFL-NH2)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1S/C37H45N7O6/c1-22(2)16-30(34(39)47)43-36(49)31(18-23-8-4-3-5-9-23)44-37(50)32(19-25-20-40-29-11-7-6-10-27(25)29)42-33(46)21-41-35(48)28(38)17-24-12-14-26(45)15-13-24/h3-15,20,22,28,30-32,40,45H,16-19,21,38H2,1-2H3,(H2,39,47)(H,41,48)(H,42,46)(H,43,49)(H,44,50)/t28-,30-,31-,32-/m0/s1
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113n/an/an/an/an/an/an/an/a



University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in human SH-SY5Y cells


Bioorg Med Chem 16: 4341-6 (2008)


Article DOI: 10.1016/j.bmc.2008.02.074
BindingDB Entry DOI: 10.7270/Q2MG7P8J
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50209313
PNG
((S)-N-((S)-1-((S)-1-amino-1-oxo-3-phenylpropan-2-y...)
Show SMILES C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C26H33N5O5/c1-16(24(34)30-21(23(28)33)15-17-6-3-2-4-7-17)29-25(35)22-8-5-13-31(22)26(36)20(27)14-18-9-11-19(32)12-10-18/h2-4,6-7,9-12,16,20-22,32H,5,8,13-15,27H2,1H3,(H2,28,33)(H,29,35)(H,30,34)/t16-,20-,21-,22-/m0/s1
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226n/an/an/an/an/an/an/an/a



University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in human SH-SY5Y cells


Bioorg Med Chem 16: 4341-6 (2008)


Article DOI: 10.1016/j.bmc.2008.02.074
BindingDB Entry DOI: 10.7270/Q2MG7P8J
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50261482
PNG
(CHEMBL466147 | YPAA-NH2)
Show SMILES C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1S/C20H29N5O5/c1-11(17(22)27)23-18(28)12(2)24-19(29)16-4-3-9-25(16)20(30)15(21)10-13-5-7-14(26)8-6-13/h5-8,11-12,15-16,26H,3-4,9-10,21H2,1-2H3,(H2,22,27)(H,23,28)(H,24,29)/t11-,12-,15-,16-/m0/s1
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705n/an/an/an/an/an/an/an/a



University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in human SH-SY5Y cells


Bioorg Med Chem 16: 4341-6 (2008)


Article DOI: 10.1016/j.bmc.2008.02.074
BindingDB Entry DOI: 10.7270/Q2MG7P8J
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50261481
PNG
(CHEMBL445690 | YAWF-NH2)
Show SMILES C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C32H36N6O5/c1-19(36-31(42)25(33)15-21-11-13-23(39)14-12-21)30(41)38-28(17-22-18-35-26-10-6-5-9-24(22)26)32(43)37-27(29(34)40)16-20-7-3-2-4-8-20/h2-14,18-19,25,27-28,35,39H,15-17,33H2,1H3,(H2,34,40)(H,36,42)(H,37,43)(H,38,41)/t19-,25-,27-,28-/m0/s1
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PubMed
3.19E+3n/an/an/an/an/an/an/an/a



University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in human SH-SY5Y cells


Bioorg Med Chem 16: 4341-6 (2008)


Article DOI: 10.1016/j.bmc.2008.02.074
BindingDB Entry DOI: 10.7270/Q2MG7P8J
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50080456
PNG
((S)-2-[(S)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-pheny...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1S/C28H38N6O6/c1-17(2)12-22(26(30)38)34-28(40)23(14-18-6-4-3-5-7-18)33-25(37)16-31-24(36)15-32-27(39)21(29)13-19-8-10-20(35)11-9-19/h3-11,17,21-23,35H,12-16,29H2,1-2H3,(H2,30,38)(H,31,36)(H,32,39)(H,33,37)(H,34,40)/t21-,22-,23-/m0/s1
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n/an/a 26.1n/an/an/an/an/an/a



University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at mu opioid receptor assessed as inhibition of forskolin-induced cAMP production in human SH-SY5Y cells pretreated for 24 hrs with ...


Bioorg Med Chem 16: 4341-6 (2008)


Article DOI: 10.1016/j.bmc.2008.02.074
BindingDB Entry DOI: 10.7270/Q2MG7P8J
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50261483
PNG
(CHEMBL504973 | YGGWL-NH2)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1S/C30H39N7O6/c1-17(2)11-24(28(32)41)37-30(43)25(13-19-14-33-23-6-4-3-5-21(19)23)36-27(40)16-34-26(39)15-35-29(42)22(31)12-18-7-9-20(38)10-8-18/h3-10,14,17,22,24-25,33,38H,11-13,15-16,31H2,1-2H3,(H2,32,41)(H,34,39)(H,35,42)(H,36,40)(H,37,43)/t22-,24-,25-/m0/s1
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n/an/a 27.5n/an/an/an/an/an/a



University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at mu opioid receptor assessed as inhibition of forskolin-induced cAMP production in human SH-SY5Y cells pretreated for 24 hrs with ...


Bioorg Med Chem 16: 4341-6 (2008)


Article DOI: 10.1016/j.bmc.2008.02.074
BindingDB Entry DOI: 10.7270/Q2MG7P8J
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50261483
PNG
(CHEMBL504973 | YGGWL-NH2)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1S/C30H39N7O6/c1-17(2)11-24(28(32)41)37-30(43)25(13-19-14-33-23-6-4-3-5-21(19)23)36-27(40)16-34-26(39)15-35-29(42)22(31)12-18-7-9-20(38)10-8-18/h3-10,14,17,22,24-25,33,38H,11-13,15-16,31H2,1-2H3,(H2,32,41)(H,34,39)(H,35,42)(H,36,40)(H,37,43)/t22-,24-,25-/m0/s1
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n/an/a 49.2n/an/an/an/an/an/a



University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at mu opioid receptor assessed as inhibition of forskolin-induced cAMP production in human SH-SY5Y cells pretreated for 24 hrs with ...


Bioorg Med Chem 16: 4341-6 (2008)


Article DOI: 10.1016/j.bmc.2008.02.074
BindingDB Entry DOI: 10.7270/Q2MG7P8J
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50080456
PNG
((S)-2-[(S)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-pheny...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1S/C28H38N6O6/c1-17(2)12-22(26(30)38)34-28(40)23(14-18-6-4-3-5-7-18)33-25(37)16-31-24(36)15-32-27(39)21(29)13-19-8-10-20(35)11-9-19/h3-11,17,21-23,35H,12-16,29H2,1-2H3,(H2,30,38)(H,31,36)(H,32,39)(H,33,37)(H,34,40)/t21-,22-,23-/m0/s1
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n/an/a 57.8n/an/an/an/an/an/a



University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at mu opioid receptor assessed as inhibition of forskolin-induced cAMP production in human SH-SY5Y cells pretreated for 24 hrs with ...


Bioorg Med Chem 16: 4341-6 (2008)


Article DOI: 10.1016/j.bmc.2008.02.074
BindingDB Entry DOI: 10.7270/Q2MG7P8J
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50261527
PNG
(CHEMBL455502 | YGWFL-NH2)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1S/C37H45N7O6/c1-22(2)16-30(34(39)47)43-36(49)31(18-23-8-4-3-5-9-23)44-37(50)32(19-25-20-40-29-11-7-6-10-27(25)29)42-33(46)21-41-35(48)28(38)17-24-12-14-26(45)15-13-24/h3-15,20,22,28,30-32,40,45H,16-19,21,38H2,1-2H3,(H2,39,47)(H,41,48)(H,42,46)(H,43,49)(H,44,50)/t28-,30-,31-,32-/m0/s1
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n/an/a 126n/an/an/an/an/an/a



University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at mu opioid receptor assessed as inhibition of forskolin-induced cAMP production in human SH-SY5Y cells pretreated for 24 hrs with ...


Bioorg Med Chem 16: 4341-6 (2008)


Article DOI: 10.1016/j.bmc.2008.02.074
BindingDB Entry DOI: 10.7270/Q2MG7P8J
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50261527
PNG
(CHEMBL455502 | YGWFL-NH2)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1S/C37H45N7O6/c1-22(2)16-30(34(39)47)43-36(49)31(18-23-8-4-3-5-9-23)44-37(50)32(19-25-20-40-29-11-7-6-10-27(25)29)42-33(46)21-41-35(48)28(38)17-24-12-14-26(45)15-13-24/h3-15,20,22,28,30-32,40,45H,16-19,21,38H2,1-2H3,(H2,39,47)(H,41,48)(H,42,46)(H,43,49)(H,44,50)/t28-,30-,31-,32-/m0/s1
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Article
PubMed
n/an/a 132n/an/an/an/an/an/a



University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at mu opioid receptor assessed as inhibition of forskolin-induced cAMP production in human SH-SY5Y cells pretreated for 24 hrs with ...


Bioorg Med Chem 16: 4341-6 (2008)


Article DOI: 10.1016/j.bmc.2008.02.074
BindingDB Entry DOI: 10.7270/Q2MG7P8J
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%