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PubMed code 18311909

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
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50375695
PNG
(CHEMBL270984)
Show SMILES Cc1cc(O)cc(O)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/C43H49N5O9/c1-27-20-32(49)23-38(50)33(27)24-34(44)41(53)48-25-31-17-9-8-16-30(31)22-37(48)40(52)47-36(21-28-12-4-2-5-13-28)39(51)46-35(42(54)55)18-10-11-19-45-43(56)57-26-29-14-6-3-7-15-29/h2-9,12-17,20,23,34-37,49-50H,10-11,18-19,21-22,24-26,44H2,1H3,(H,45,56)(H,46,51)(H,47,52)(H,54,55)/t34-,35-,36-,37+/m0/s1
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PubMed
0.0190n/an/an/an/an/an/an/an/a



Stanford University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


J Med Chem 51: 1817-23 (2008)


Article DOI: 10.1021/jm7014765
BindingDB Entry DOI: 10.7270/Q24T6K7K
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50375694
PNG
(CHEMBL244265)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCCCC[C@H](NC(=O)c1ccc(F)cc1)C(O)=O
Show InChI InChI=1S/C34H39FN4O6/c1-20-15-26(40)16-21(2)27(20)18-28(36)33(43)39-19-24-8-4-3-7-23(24)17-30(39)32(42)37-14-6-5-9-29(34(44)45)38-31(41)22-10-12-25(35)13-11-22/h3-4,7-8,10-13,15-16,28-30,40H,5-6,9,14,17-19,36H2,1-2H3,(H,37,42)(H,38,41)(H,44,45)/t28-,29-,30+/m0/s1
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0.172n/an/an/an/an/an/an/an/a



Stanford University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


J Med Chem 51: 1817-23 (2008)


Article DOI: 10.1021/jm7014765
BindingDB Entry DOI: 10.7270/Q24T6K7K
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50375696
PNG
(CHEMBL269842)
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)c1ccc(F)cc1)C(O)=O
Show InChI InChI=1S/C43H48FN5O7/c1-26-20-33(50)21-27(2)34(26)24-35(45)42(54)49-25-31-13-7-6-12-30(31)23-38(49)41(53)48-37(22-28-10-4-3-5-11-28)40(52)47-36(43(55)56)14-8-9-19-46-39(51)29-15-17-32(44)18-16-29/h3-7,10-13,15-18,20-21,35-38,50H,8-9,14,19,22-25,45H2,1-2H3,(H,46,51)(H,47,52)(H,48,53)(H,55,56)/t35-,36-,37-,38+/m0/s1
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0.248n/an/an/an/an/an/an/an/a



Stanford University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


J Med Chem 51: 1817-23 (2008)


Article DOI: 10.1021/jm7014765
BindingDB Entry DOI: 10.7270/Q24T6K7K
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50375695
PNG
(CHEMBL270984)
Show SMILES Cc1cc(O)cc(O)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/C43H49N5O9/c1-27-20-32(49)23-38(50)33(27)24-34(44)41(53)48-25-31-17-9-8-16-30(31)22-37(48)40(52)47-36(21-28-12-4-2-5-13-28)39(51)46-35(42(54)55)18-10-11-19-45-43(56)57-26-29-14-6-3-7-15-29/h2-9,12-17,20,23,34-37,49-50H,10-11,18-19,21-22,24-26,44H2,1H3,(H,45,56)(H,46,51)(H,47,52)(H,54,55)/t34-,35-,36-,37+/m0/s1
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2.75n/an/an/an/an/an/an/an/a



Stanford University School of Medicine

Curated by ChEMBL


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


J Med Chem 51: 1817-23 (2008)


Article DOI: 10.1021/jm7014765
BindingDB Entry DOI: 10.7270/Q24T6K7K
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50375696
PNG
(CHEMBL269842)
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)c1ccc(F)cc1)C(O)=O
Show InChI InChI=1S/C43H48FN5O7/c1-26-20-33(50)21-27(2)34(26)24-35(45)42(54)49-25-31-13-7-6-12-30(31)23-38(49)41(53)48-37(22-28-10-4-3-5-11-28)40(52)47-36(43(55)56)14-8-9-19-46-39(51)29-15-17-32(44)18-16-29/h3-7,10-13,15-18,20-21,35-38,50H,8-9,14,19,22-25,45H2,1-2H3,(H,46,51)(H,47,52)(H,48,53)(H,55,56)/t35-,36-,37-,38+/m0/s1
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13.2n/an/an/an/an/an/an/an/a



Stanford University School of Medicine

Curated by ChEMBL


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


J Med Chem 51: 1817-23 (2008)


Article DOI: 10.1021/jm7014765
BindingDB Entry DOI: 10.7270/Q24T6K7K
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50375694
PNG
(CHEMBL244265)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCCCC[C@H](NC(=O)c1ccc(F)cc1)C(O)=O
Show InChI InChI=1S/C34H39FN4O6/c1-20-15-26(40)16-21(2)27(20)18-28(36)33(43)39-19-24-8-4-3-7-23(24)17-30(39)32(42)37-14-6-5-9-29(34(44)45)38-31(41)22-10-12-25(35)13-11-22/h3-4,7-8,10-13,15-16,28-30,40H,5-6,9,14,17-19,36H2,1-2H3,(H,37,42)(H,38,41)(H,44,45)/t28-,29-,30+/m0/s1
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41.2n/an/an/an/an/an/an/an/a



Stanford University School of Medicine

Curated by ChEMBL


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


J Med Chem 51: 1817-23 (2008)


Article DOI: 10.1021/jm7014765
BindingDB Entry DOI: 10.7270/Q24T6K7K
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50375696
PNG
(CHEMBL269842)
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)c1ccc(F)cc1)C(O)=O
Show InChI InChI=1S/C43H48FN5O7/c1-26-20-33(50)21-27(2)34(26)24-35(45)42(54)49-25-31-13-7-6-12-30(31)23-38(49)41(53)48-37(22-28-10-4-3-5-11-28)40(52)47-36(43(55)56)14-8-9-19-46-39(51)29-15-17-32(44)18-16-29/h3-7,10-13,15-18,20-21,35-38,50H,8-9,14,19,22-25,45H2,1-2H3,(H,46,51)(H,47,52)(H,48,53)(H,55,56)/t35-,36-,37-,38+/m0/s1
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n/an/a 50.6n/an/an/an/an/an/a



Stanford University School of Medicine

Curated by ChEMBL


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


J Med Chem 51: 1817-23 (2008)


Article DOI: 10.1021/jm7014765
BindingDB Entry DOI: 10.7270/Q24T6K7K
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50375694
PNG
(CHEMBL244265)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCCCC[C@H](NC(=O)c1ccc(F)cc1)C(O)=O
Show InChI InChI=1S/C34H39FN4O6/c1-20-15-26(40)16-21(2)27(20)18-28(36)33(43)39-19-24-8-4-3-7-23(24)17-30(39)32(42)37-14-6-5-9-29(34(44)45)38-31(41)22-10-12-25(35)13-11-22/h3-4,7-8,10-13,15-16,28-30,40H,5-6,9,14,17-19,36H2,1-2H3,(H,37,42)(H,38,41)(H,44,45)/t28-,29-,30+/m0/s1
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n/an/a 1.92E+3n/an/an/an/an/an/a



Stanford University School of Medicine

Curated by ChEMBL


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


J Med Chem 51: 1817-23 (2008)


Article DOI: 10.1021/jm7014765
BindingDB Entry DOI: 10.7270/Q24T6K7K
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50375696
PNG
(CHEMBL269842)
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)c1ccc(F)cc1)C(O)=O
Show InChI InChI=1S/C43H48FN5O7/c1-26-20-33(50)21-27(2)34(26)24-35(45)42(54)49-25-31-13-7-6-12-30(31)23-38(49)41(53)48-37(22-28-10-4-3-5-11-28)40(52)47-36(43(55)56)14-8-9-19-46-39(51)29-15-17-32(44)18-16-29/h3-7,10-13,15-18,20-21,35-38,50H,8-9,14,19,22-25,45H2,1-2H3,(H,46,51)(H,47,52)(H,48,53)(H,55,56)/t35-,36-,37-,38+/m0/s1
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n/an/a 5.18E+3n/an/an/an/an/an/a



Stanford University School of Medicine

Curated by ChEMBL


Assay Description
Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electrically evoked-contraction


J Med Chem 51: 1817-23 (2008)


Article DOI: 10.1021/jm7014765
BindingDB Entry DOI: 10.7270/Q24T6K7K
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50375695
PNG
(CHEMBL270984)
Show SMILES Cc1cc(O)cc(O)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/C43H49N5O9/c1-27-20-32(49)23-38(50)33(27)24-34(44)41(53)48-25-31-17-9-8-16-30(31)22-37(48)40(52)47-36(21-28-12-4-2-5-13-28)39(51)46-35(42(54)55)18-10-11-19-45-43(56)57-26-29-14-6-3-7-15-29/h2-9,12-17,20,23,34-37,49-50H,10-11,18-19,21-22,24-26,44H2,1H3,(H,45,56)(H,46,51)(H,47,52)(H,54,55)/t34-,35-,36-,37+/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Stanford University School of Medicine

Curated by ChEMBL


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


J Med Chem 51: 1817-23 (2008)


Article DOI: 10.1021/jm7014765
BindingDB Entry DOI: 10.7270/Q24T6K7K
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%