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PubMed code 25168746

Compile data set for download or QSAR
Found 28 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))
BDBM50101997
PNG
(CHEMBL3326769)
Show SMILES CC(C)C[C@@H](CN)NC[C@H](Cc1ccccc1)N(C)C[C@@H]1CCCN1C[C@H](Cc1ccc(O)cc1)N(C)C |r|
Show InChI InChI=1S/C32H53N5O/c1-25(2)18-28(21-33)34-22-30(19-26-10-7-6-8-11-26)36(5)23-29-12-9-17-37(29)24-31(35(3)4)20-27-13-15-32(38)16-14-27/h6-8,10-11,13-16,25,28-31,34,38H,9,12,17-24,33H2,1-5H3/t28-,29-,30-,31-/m0/s1
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60n/an/an/an/an/an/an/an/a



University of Monastir

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane by liquid scintillation counting analysis


Bioorg Med Chem Lett 24: 4482-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.090
BindingDB Entry DOI: 10.7270/Q26T0PDD
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50101998
PNG
(CHEMBL3326768)
Show SMILES CC(C)C[C@H]1CNC(=O)C(=O)N1C[C@H](Cc1ccccc1)N(C)C[C@@H]1CCCN1C[C@H](Cc1ccc(O)cc1)N(C)C |r|
Show InChI InChI=1S/C34H51N5O3/c1-25(2)18-29-21-35-33(41)34(42)39(29)24-31(20-26-10-7-6-8-11-26)37(5)22-28-12-9-17-38(28)23-30(36(3)4)19-27-13-15-32(40)16-14-27/h6-8,10-11,13-16,25,28-31,40H,9,12,17-24H2,1-5H3,(H,35,41)/t28-,29-,30-,31-/m0/s1
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250n/an/an/an/an/an/an/an/a



University of Monastir

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane by liquid scintillation counting analysis


Bioorg Med Chem Lett 24: 4482-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.090
BindingDB Entry DOI: 10.7270/Q26T0PDD
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50102027
PNG
(CHEMBL3326767)
Show SMILES CC(C)C[C@H]1CNC(=S)N1C[C@H](Cc1ccccc1)N(C)C[C@@H]1CCCN1C[C@H](Cc1ccc(O)cc1)N(C)C |r|
Show InChI InChI=1S/C33H51N5OS/c1-25(2)18-29-21-34-33(40)38(29)24-31(20-26-10-7-6-8-11-26)36(5)22-28-12-9-17-37(28)23-30(35(3)4)19-27-13-15-32(39)16-14-27/h6-8,10-11,13-16,25,28-31,39H,9,12,17-24H2,1-5H3,(H,34,40)/t28-,29-,30-,31-/m0/s1
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430n/an/an/an/an/an/an/an/a



University of Monastir

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane by liquid scintillation counting analysis


Bioorg Med Chem Lett 24: 4482-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.090
BindingDB Entry DOI: 10.7270/Q26T0PDD
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50102073
PNG
(CHEMBL3326662)
Show SMILES CC(C)C[C@H]1CNC(=S)N1C[C@H](Cc1ccccc1)N(C)CCN1CCN(C[C@H](Cc2ccc(O)cc2)N(C)C)C1=S |r|
Show InChI InChI=1S/C33H50N6OS2/c1-25(2)19-28-22-34-32(41)39(28)24-30(21-26-9-7-6-8-10-26)36(5)15-16-37-17-18-38(33(37)42)23-29(35(3)4)20-27-11-13-31(40)14-12-27/h6-14,25,28-30,40H,15-24H2,1-5H3,(H,34,41)/t28-,29-,30-/m0/s1
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740n/an/an/an/an/an/an/an/a



University of Monastir

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane by liquid scintillation counting analysis


Bioorg Med Chem Lett 24: 4482-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.090
BindingDB Entry DOI: 10.7270/Q26T0PDD
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50102030
PNG
(CHEMBL3326663)
Show SMILES CC(C)C[C@H]1CNC(=N)N1C[C@H](Cc1ccccc1)N(C)CCN1CCN(C[C@H](Cc2ccc(O)cc2)N(C)C)C1=N |r|
Show InChI InChI=1S/C33H52N8O/c1-25(2)19-28-22-36-32(34)41(28)24-30(21-26-9-7-6-8-10-26)38(5)15-16-39-17-18-40(33(39)35)23-29(37(3)4)20-27-11-13-31(42)14-12-27/h6-14,25,28-30,35,42H,15-24H2,1-5H3,(H2,34,36)/t28-,29-,30-/m0/s1
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1.08E+3n/an/an/an/an/an/an/an/a



University of Monastir

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane by liquid scintillation counting analysis


Bioorg Med Chem Lett 24: 4482-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.090
BindingDB Entry DOI: 10.7270/Q26T0PDD
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50102095
PNG
(CHEMBL3326659)
Show SMILES CN[C@H](CNCC(=O)N(C)CCN(C)[C@H](CN[C@H](CN)CC(C)C)Cc1ccccc1)Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C31H52N6O2/c1-24(2)17-27(20-32)35-22-29(19-25-9-7-6-8-10-25)36(4)15-16-37(5)31(39)23-34-21-28(33-3)18-26-11-13-30(38)14-12-26/h6-14,24,27-29,33-35,38H,15-23,32H2,1-5H3/t27-,28-,29-/m0/s1
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1.11E+3n/an/an/an/an/an/an/an/a



University of Monastir

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig cortices membrane by liquid scintillation counting analysis


Bioorg Med Chem Lett 24: 4482-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.090
BindingDB Entry DOI: 10.7270/Q26T0PDD
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50102029
PNG
(CHEMBL3326664)
Show SMILES CC(C)C[C@H]1CNCCN1C[C@H](Cc1ccccc1)N(C)CCN1CCN(C[C@H](Cc2ccc(O)cc2)N(C)C)CC1 |r|
Show InChI InChI=1S/C35H58N6O/c1-29(2)23-32-26-36-15-16-41(32)28-34(25-30-9-7-6-8-10-30)38(5)17-18-39-19-21-40(22-20-39)27-33(37(3)4)24-31-11-13-35(42)14-12-31/h6-14,29,32-34,36,42H,15-28H2,1-5H3/t32-,33-,34-/m0/s1
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1.15E+3n/an/an/an/an/an/an/an/a



University of Monastir

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane by liquid scintillation counting analysis


Bioorg Med Chem Lett 24: 4482-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.090
BindingDB Entry DOI: 10.7270/Q26T0PDD
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50101997
PNG
(CHEMBL3326769)
Show SMILES CC(C)C[C@@H](CN)NC[C@H](Cc1ccccc1)N(C)C[C@@H]1CCCN1C[C@H](Cc1ccc(O)cc1)N(C)C |r|
Show InChI InChI=1S/C32H53N5O/c1-25(2)18-28(21-33)34-22-30(19-26-10-7-6-8-11-26)36(5)23-29-12-9-17-37(29)24-31(35(3)4)20-27-13-15-32(38)16-14-27/h6-8,10-11,13-16,25,28-31,34,38H,9,12,17-24,33H2,1-5H3/t28-,29-,30-,31-/m0/s1
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1.28E+3n/an/an/an/an/an/an/an/a



University of Monastir

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig cortices membrane by liquid scintillation counting analysis


Bioorg Med Chem Lett 24: 4482-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.090
BindingDB Entry DOI: 10.7270/Q26T0PDD
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50102095
PNG
(CHEMBL3326659)
Show SMILES CN[C@H](CNCC(=O)N(C)CCN(C)[C@H](CN[C@H](CN)CC(C)C)Cc1ccccc1)Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C31H52N6O2/c1-24(2)17-27(20-32)35-22-29(19-25-9-7-6-8-10-25)36(4)15-16-37(5)31(39)23-34-21-28(33-3)18-26-11-13-30(38)14-12-26/h6-14,24,27-29,33-35,38H,15-23,32H2,1-5H3/t27-,28-,29-/m0/s1
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1.50E+3n/an/an/an/an/an/an/an/a



University of Monastir

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane by liquid scintillation counting analysis


Bioorg Med Chem Lett 24: 4482-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.090
BindingDB Entry DOI: 10.7270/Q26T0PDD
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50101994
PNG
(CHEMBL3326772)
Show SMILES CC(C)CC(CN)NCC(Cc1ccccc1)N(C)CCCCCNCC(N)Cc1ccc(O)cc1
Show InChI InChI=1S/C30H51N5O/c1-24(2)18-28(21-31)34-23-29(20-25-10-6-4-7-11-25)35(3)17-9-5-8-16-33-22-27(32)19-26-12-14-30(36)15-13-26/h4,6-7,10-15,24,27-29,33-34,36H,5,8-9,16-23,31-32H2,1-3H3
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1.62E+3n/an/an/an/an/an/an/an/a



University of Monastir

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig cortices membrane by liquid scintillation counting analysis


Bioorg Med Chem Lett 24: 4482-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.090
BindingDB Entry DOI: 10.7270/Q26T0PDD
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50101994
PNG
(CHEMBL3326772)
Show SMILES CC(C)CC(CN)NCC(Cc1ccccc1)N(C)CCCCCNCC(N)Cc1ccc(O)cc1
Show InChI InChI=1S/C30H51N5O/c1-24(2)18-28(21-31)34-23-29(20-25-10-6-4-7-11-25)35(3)17-9-5-8-16-33-22-27(32)19-26-12-14-30(36)15-13-26/h4,6-7,10-15,24,27-29,33-34,36H,5,8-9,16-23,31-32H2,1-3H3
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1.79E+3n/an/an/an/an/an/an/an/a



University of Monastir

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane by liquid scintillation counting analysis


Bioorg Med Chem Lett 24: 4482-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.090
BindingDB Entry DOI: 10.7270/Q26T0PDD
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50102028
PNG
(CHEMBL3326665)
Show SMILES CN[C@@H](Cc1ccc(O)cc1)C(=O)N1CCCC1C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O |r|
Show InChI InChI=1S/C31H43N5O5/c1-20(2)17-24(28(32)38)34-29(39)27(19-21-9-6-5-7-10-21)35(4)31(41)26-11-8-16-36(26)30(40)25(33-3)18-22-12-14-23(37)15-13-22/h5-7,9-10,12-15,20,24-27,33,37H,8,11,16-19H2,1-4H3,(H2,32,38)(H,34,39)/t24-,25-,26?,27-/m0/s1
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2.03E+3n/an/an/an/an/an/an/an/a



University of Monastir

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig cortices membrane by liquid scintillation counting analysis


Bioorg Med Chem Lett 24: 4482-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.090
BindingDB Entry DOI: 10.7270/Q26T0PDD
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50102028
PNG
(CHEMBL3326665)
Show SMILES CN[C@@H](Cc1ccc(O)cc1)C(=O)N1CCCC1C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O |r|
Show InChI InChI=1S/C31H43N5O5/c1-20(2)17-24(28(32)38)34-29(39)27(19-21-9-6-5-7-10-21)35(4)31(41)26-11-8-16-36(26)30(40)25(33-3)18-22-12-14-23(37)15-13-22/h5-7,9-10,12-15,20,24-27,33,37H,8,11,16-19H2,1-4H3,(H2,32,38)(H,34,39)/t24-,25-,26?,27-/m0/s1
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2.14E+3n/an/an/an/an/an/an/an/a



University of Monastir

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane by liquid scintillation counting analysis


Bioorg Med Chem Lett 24: 4482-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.090
BindingDB Entry DOI: 10.7270/Q26T0PDD
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50102073
PNG
(CHEMBL3326662)
Show SMILES CC(C)C[C@H]1CNC(=S)N1C[C@H](Cc1ccccc1)N(C)CCN1CCN(C[C@H](Cc2ccc(O)cc2)N(C)C)C1=S |r|
Show InChI InChI=1S/C33H50N6OS2/c1-25(2)19-28-22-34-32(41)39(28)24-30(21-26-9-7-6-8-10-26)36(5)15-16-37-17-18-38(33(37)42)23-29(35(3)4)20-27-11-13-31(40)14-12-27/h6-14,25,28-30,40H,15-24H2,1-5H3,(H,34,41)/t28-,29-,30-/m0/s1
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2.30E+3n/an/an/an/an/an/an/an/a



University of Monastir

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig cortices membrane by liquid scintillation counting analysis


Bioorg Med Chem Lett 24: 4482-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.090
BindingDB Entry DOI: 10.7270/Q26T0PDD
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50102090
PNG
(CHEMBL3326661)
Show SMILES CC(C)C[C@H]1CNCCN1C[C@H](Cc1ccccc1)N(C)CCN(C)CCN1CCN(C)[C@@H](Cc2ccc(O)cc2)C1 |r|
Show InChI InChI=1S/C35H58N6O/c1-29(2)23-32-26-36-15-16-41(32)28-34(24-30-9-7-6-8-10-30)38(4)19-17-37(3)18-21-40-22-20-39(5)33(27-40)25-31-11-13-35(42)14-12-31/h6-14,29,32-34,36,42H,15-28H2,1-5H3/t32-,33-,34-/m0/s1
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2.65E+3n/an/an/an/an/an/an/an/a



University of Monastir

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane by liquid scintillation counting analysis


Bioorg Med Chem Lett 24: 4482-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.090
BindingDB Entry DOI: 10.7270/Q26T0PDD
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50102090
PNG
(CHEMBL3326661)
Show SMILES CC(C)C[C@H]1CNCCN1C[C@H](Cc1ccccc1)N(C)CCN(C)CCN1CCN(C)[C@@H](Cc2ccc(O)cc2)C1 |r|
Show InChI InChI=1S/C35H58N6O/c1-29(2)23-32-26-36-15-16-41(32)28-34(24-30-9-7-6-8-10-30)38(4)19-17-37(3)18-21-40-22-20-39(5)33(27-40)25-31-11-13-35(42)14-12-31/h6-14,29,32-34,36,42H,15-28H2,1-5H3/t32-,33-,34-/m0/s1
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3.12E+3n/an/an/an/an/an/an/an/a



University of Monastir

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig cortices membrane by liquid scintillation counting analysis


Bioorg Med Chem Lett 24: 4482-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.090
BindingDB Entry DOI: 10.7270/Q26T0PDD
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50102027
PNG
(CHEMBL3326767)
Show SMILES CC(C)C[C@H]1CNC(=S)N1C[C@H](Cc1ccccc1)N(C)C[C@@H]1CCCN1C[C@H](Cc1ccc(O)cc1)N(C)C |r|
Show InChI InChI=1S/C33H51N5OS/c1-25(2)18-29-21-34-33(40)38(29)24-31(20-26-10-7-6-8-11-26)36(5)22-28-12-9-17-37(28)23-30(35(3)4)19-27-13-15-32(39)16-14-27/h6-8,10-11,13-16,25,28-31,39H,9,12,17-24H2,1-5H3,(H,34,40)/t28-,29-,30-,31-/m0/s1
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3.32E+3n/an/an/an/an/an/an/an/a



University of Monastir

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig cortices membrane by liquid scintillation counting analysis


Bioorg Med Chem Lett 24: 4482-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.090
BindingDB Entry DOI: 10.7270/Q26T0PDD
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50102096
PNG
(CHEMBL3326658)
Show SMILES CC(C)C[C@H]1CNC(=S)N1C[C@H](Cc1ccccc1)N(C)CCN(C)CCN1C[C@H](Cc2ccc(O)cc2)N(C)C1=S |r|
Show InChI InChI=1S/C33H50N6OS2/c1-25(2)19-28-22-34-32(41)39(28)24-29(20-26-9-7-6-8-10-26)36(4)17-15-35(3)16-18-38-23-30(37(5)33(38)42)21-27-11-13-31(40)14-12-27/h6-14,25,28-30,40H,15-24H2,1-5H3,(H,34,41)/t28-,29-,30-/m0/s1
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3.42E+3n/an/an/an/an/an/an/an/a



University of Monastir

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig cortices membrane by liquid scintillation counting analysis


Bioorg Med Chem Lett 24: 4482-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.090
BindingDB Entry DOI: 10.7270/Q26T0PDD
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50102029
PNG
(CHEMBL3326664)
Show SMILES CC(C)C[C@H]1CNCCN1C[C@H](Cc1ccccc1)N(C)CCN1CCN(C[C@H](Cc2ccc(O)cc2)N(C)C)CC1 |r|
Show InChI InChI=1S/C35H58N6O/c1-29(2)23-32-26-36-15-16-41(32)28-34(25-30-9-7-6-8-10-30)38(5)17-18-39-19-21-40(22-20-39)27-33(37(3)4)24-31-11-13-35(42)14-12-31/h6-14,29,32-34,36,42H,15-28H2,1-5H3/t32-,33-,34-/m0/s1
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3.43E+3n/an/an/an/an/an/an/an/a



University of Monastir

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig cortices membrane by liquid scintillation counting analysis


Bioorg Med Chem Lett 24: 4482-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.090
BindingDB Entry DOI: 10.7270/Q26T0PDD
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50102096
PNG
(CHEMBL3326658)
Show SMILES CC(C)C[C@H]1CNC(=S)N1C[C@H](Cc1ccccc1)N(C)CCN(C)CCN1C[C@H](Cc2ccc(O)cc2)N(C)C1=S |r|
Show InChI InChI=1S/C33H50N6OS2/c1-25(2)19-28-22-34-32(41)39(28)24-29(20-26-9-7-6-8-10-26)36(4)17-15-35(3)16-18-38-23-30(37(5)33(38)42)21-27-11-13-31(40)14-12-27/h6-14,25,28-30,40H,15-24H2,1-5H3,(H,34,41)/t28-,29-,30-/m0/s1
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7.11E+3n/an/an/an/an/an/an/an/a



University of Monastir

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane by liquid scintillation counting analysis


Bioorg Med Chem Lett 24: 4482-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.090
BindingDB Entry DOI: 10.7270/Q26T0PDD
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50101995
PNG
(CHEMBL3326771)
Show SMILES CC(C)C[C@H]1CNC(=S)N1C[C@H](Cc1ccccc1)N(C)CCCCCN1C[C@H](Cc2ccc(O)cc2)NC1=S |r|
Show InChI InChI=1S/C32H47N5OS2/c1-24(2)18-28-21-33-31(39)37(28)23-29(20-25-10-6-4-7-11-25)35(3)16-8-5-9-17-36-22-27(34-32(36)40)19-26-12-14-30(38)15-13-26/h4,6-7,10-15,24,27-29,38H,5,8-9,16-23H2,1-3H3,(H,33,39)(H,34,40)/t27-,28-,29-/m0/s1
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9.48E+3n/an/an/an/an/an/an/an/a



University of Monastir

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig cortices membrane by liquid scintillation counting analysis


Bioorg Med Chem Lett 24: 4482-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.090
BindingDB Entry DOI: 10.7270/Q26T0PDD
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50101998
PNG
(CHEMBL3326768)
Show SMILES CC(C)C[C@H]1CNC(=O)C(=O)N1C[C@H](Cc1ccccc1)N(C)C[C@@H]1CCCN1C[C@H](Cc1ccc(O)cc1)N(C)C |r|
Show InChI InChI=1S/C34H51N5O3/c1-25(2)18-29-21-35-33(41)34(42)39(29)24-31(20-26-10-7-6-8-11-26)37(5)22-28-12-9-17-38(28)23-30(36(3)4)19-27-13-15-32(40)16-14-27/h6-8,10-11,13-16,25,28-31,40H,9,12,17-24H2,1-5H3,(H,35,41)/t28-,29-,30-,31-/m0/s1
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1.06E+4n/an/an/an/an/an/an/an/a



University of Monastir

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig cortices membrane by liquid scintillation counting analysis


Bioorg Med Chem Lett 24: 4482-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.090
BindingDB Entry DOI: 10.7270/Q26T0PDD
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50101995
PNG
(CHEMBL3326771)
Show SMILES CC(C)C[C@H]1CNC(=S)N1C[C@H](Cc1ccccc1)N(C)CCCCCN1C[C@H](Cc2ccc(O)cc2)NC1=S |r|
Show InChI InChI=1S/C32H47N5OS2/c1-24(2)18-28-21-33-31(39)37(28)23-29(20-25-10-6-4-7-11-25)35(3)16-8-5-9-17-36-22-27(34-32(36)40)19-26-12-14-30(38)15-13-26/h4,6-7,10-15,24,27-29,38H,5,8-9,16-23H2,1-3H3,(H,33,39)(H,34,40)/t27-,28-,29-/m0/s1
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1.10E+4n/an/an/an/an/an/an/an/a



University of Monastir

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane by liquid scintillation counting analysis


Bioorg Med Chem Lett 24: 4482-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.090
BindingDB Entry DOI: 10.7270/Q26T0PDD
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50102030
PNG
(CHEMBL3326663)
Show SMILES CC(C)C[C@H]1CNC(=N)N1C[C@H](Cc1ccccc1)N(C)CCN1CCN(C[C@H](Cc2ccc(O)cc2)N(C)C)C1=N |r|
Show InChI InChI=1S/C33H52N8O/c1-25(2)19-28-22-36-32(34)41(28)24-30(21-26-9-7-6-8-10-26)38(5)15-16-39-17-18-40(33(39)35)23-29(37(3)4)20-27-11-13-31(42)14-12-27/h6-14,25,28-30,35,42H,15-24H2,1-5H3,(H2,34,36)/t28-,29-,30-/m0/s1
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1.13E+4n/an/an/an/an/an/an/an/a



University of Monastir

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig cortices membrane by liquid scintillation counting analysis


Bioorg Med Chem Lett 24: 4482-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.090
BindingDB Entry DOI: 10.7270/Q26T0PDD
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50102092
PNG
(CHEMBL3326660)
Show SMILES CC(C)C[C@H]1CNC(=O)C(=O)N1C[C@H](Cc1ccccc1)N(C)CCN(C)CCN1C[C@H](Cc2ccc(O)cc2)N(C)C(=O)C1=O |r|
Show InChI InChI=1S/C35H50N6O5/c1-25(2)19-28-22-36-32(43)33(44)41(28)24-29(20-26-9-7-6-8-10-26)38(4)17-15-37(3)16-18-40-23-30(39(5)34(45)35(40)46)21-27-11-13-31(42)14-12-27/h6-14,25,28-30,42H,15-24H2,1-5H3,(H,36,43)/t28-,29-,30-/m0/s1
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1.52E+4n/an/an/an/an/an/an/an/a



University of Monastir

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane by liquid scintillation counting analysis


Bioorg Med Chem Lett 24: 4482-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.090
BindingDB Entry DOI: 10.7270/Q26T0PDD
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50101996
PNG
(CHEMBL3326770)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)N(C)C(=O)CCCCNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1S/C30H43N5O5/c1-20(2)17-25(28(32)38)34-30(40)26(19-21-9-5-4-6-10-21)35(3)27(37)11-7-8-16-33-29(39)24(31)18-22-12-14-23(36)15-13-22/h4-6,9-10,12-15,20,24-26,36H,7-8,11,16-19,31H2,1-3H3,(H2,32,38)(H,33,39)(H,34,40)/t24-,25-,26-/m0/s1
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2.25E+4n/an/an/an/an/an/an/an/a



University of Monastir

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig cortices membrane by liquid scintillation counting analysis


Bioorg Med Chem Lett 24: 4482-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.090
BindingDB Entry DOI: 10.7270/Q26T0PDD
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50101996
PNG
(CHEMBL3326770)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)N(C)C(=O)CCCCNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1S/C30H43N5O5/c1-20(2)17-25(28(32)38)34-30(40)26(19-21-9-5-4-6-10-21)35(3)27(37)11-7-8-16-33-29(39)24(31)18-22-12-14-23(36)15-13-22/h4-6,9-10,12-15,20,24-26,36H,7-8,11,16-19,31H2,1-3H3,(H2,32,38)(H,33,39)(H,34,40)/t24-,25-,26-/m0/s1
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3.89E+4n/an/an/an/an/an/an/an/a



University of Monastir

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane by liquid scintillation counting analysis


Bioorg Med Chem Lett 24: 4482-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.090
BindingDB Entry DOI: 10.7270/Q26T0PDD
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50102092
PNG
(CHEMBL3326660)
Show SMILES CC(C)C[C@H]1CNC(=O)C(=O)N1C[C@H](Cc1ccccc1)N(C)CCN(C)CCN1C[C@H](Cc2ccc(O)cc2)N(C)C(=O)C1=O |r|
Show InChI InChI=1S/C35H50N6O5/c1-25(2)19-28-22-36-32(43)33(44)41(28)24-29(20-26-9-7-6-8-10-26)38(4)17-15-37(3)16-18-40-23-30(39(5)34(45)35(40)46)21-27-11-13-31(42)14-12-27/h6-14,25,28-30,42H,15-24H2,1-5H3,(H,36,43)/t28-,29-,30-/m0/s1
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9.42E+4n/an/an/an/an/an/an/an/a



University of Monastir

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig cortices membrane by liquid scintillation counting analysis


Bioorg Med Chem Lett 24: 4482-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.090
BindingDB Entry DOI: 10.7270/Q26T0PDD
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%