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PubMed code 25047937

Compile data set for download or QSAR
Found 9 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))
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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Article
PubMed
n/an/a 0.790n/an/an/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from MOR in rat brain membranes


Bioorg Med Chem 22: 4803-9 (2014)


Article DOI: 10.1016/j.bmc.2014.06.056
BindingDB Entry DOI: 10.7270/Q2251KT4
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50053573
PNG
(CHEMBL3327220)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1C[C@@H]([C@H](C1)c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C38H41N5O5/c39-32(20-27-16-18-29(44)19-17-27)38(48)43-23-30(28-14-8-3-9-15-28)31(24-43)36(46)42-34(22-26-12-6-2-7-13-26)37(47)41-33(35(40)45)21-25-10-4-1-5-11-25/h1-19,30-34,44H,20-24,39H2,(H2,40,45)(H,41,47)(H,42,46)/t30-,31+,32+,33+,34+/m1/s1
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PubMed
n/an/a 0.850n/an/an/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from MOR in rat brain membranes


Bioorg Med Chem 22: 4803-9 (2014)


Article DOI: 10.1016/j.bmc.2014.06.056
BindingDB Entry DOI: 10.7270/Q2251KT4
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50053572
PNG
(CHEMBL3327221)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1C[C@H]([C@@H](C1)c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C38H41N5O5/c39-32(20-27-16-18-29(44)19-17-27)38(48)43-23-30(28-14-8-3-9-15-28)31(24-43)36(46)42-34(22-26-12-6-2-7-13-26)37(47)41-33(35(40)45)21-25-10-4-1-5-11-25/h1-19,30-34,44H,20-24,39H2,(H2,40,45)(H,41,47)(H,42,46)/t30-,31+,32-,33-,34-/m0/s1
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n/an/a 2.90n/an/an/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from MOR in rat brain membranes


Bioorg Med Chem 22: 4803-9 (2014)


Article DOI: 10.1016/j.bmc.2014.06.056
BindingDB Entry DOI: 10.7270/Q2251KT4
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50053573
PNG
(CHEMBL3327220)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1C[C@@H]([C@H](C1)c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C38H41N5O5/c39-32(20-27-16-18-29(44)19-17-27)38(48)43-23-30(28-14-8-3-9-15-28)31(24-43)36(46)42-34(22-26-12-6-2-7-13-26)37(47)41-33(35(40)45)21-25-10-4-1-5-11-25/h1-19,30-34,44H,20-24,39H2,(H2,40,45)(H,41,47)(H,42,46)/t30-,31+,32+,33+,34+/m1/s1
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PubMed
n/an/a 9.10n/an/an/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Displacement of [3H](Ile5,6)deltorphin-2 from DOR in rat brain membranes


Bioorg Med Chem 22: 4803-9 (2014)


Article DOI: 10.1016/j.bmc.2014.06.056
BindingDB Entry DOI: 10.7270/Q2251KT4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50053573
PNG
(CHEMBL3327220)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1C[C@@H]([C@H](C1)c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C38H41N5O5/c39-32(20-27-16-18-29(44)19-17-27)38(48)43-23-30(28-14-8-3-9-15-28)31(24-43)36(46)42-34(22-26-12-6-2-7-13-26)37(47)41-33(35(40)45)21-25-10-4-1-5-11-25/h1-19,30-34,44H,20-24,39H2,(H2,40,45)(H,41,47)(H,42,46)/t30-,31+,32+,33+,34+/m1/s1
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n/an/a 27n/an/an/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Displacement of [3H]nor-BNI from KOR in guinea pig brain membranes


Bioorg Med Chem 22: 4803-9 (2014)


Article DOI: 10.1016/j.bmc.2014.06.056
BindingDB Entry DOI: 10.7270/Q2251KT4
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50053572
PNG
(CHEMBL3327221)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1C[C@H]([C@@H](C1)c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C38H41N5O5/c39-32(20-27-16-18-29(44)19-17-27)38(48)43-23-30(28-14-8-3-9-15-28)31(24-43)36(46)42-34(22-26-12-6-2-7-13-26)37(47)41-33(35(40)45)21-25-10-4-1-5-11-25/h1-19,30-34,44H,20-24,39H2,(H2,40,45)(H,41,47)(H,42,46)/t30-,31+,32-,33-,34-/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 DOR in rat brain membranes


Bioorg Med Chem 22: 4803-9 (2014)


Article DOI: 10.1016/j.bmc.2014.06.056
BindingDB Entry DOI: 10.7270/Q2251KT4
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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PubMed
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 DOR in rat brain membranes


Bioorg Med Chem 22: 4803-9 (2014)


Article DOI: 10.1016/j.bmc.2014.06.056
BindingDB Entry DOI: 10.7270/Q2251KT4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50053572
PNG
(CHEMBL3327221)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1C[C@H]([C@@H](C1)c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C38H41N5O5/c39-32(20-27-16-18-29(44)19-17-27)38(48)43-23-30(28-14-8-3-9-15-28)31(24-43)36(46)42-34(22-26-12-6-2-7-13-26)37(47)41-33(35(40)45)21-25-10-4-1-5-11-25/h1-19,30-34,44H,20-24,39H2,(H2,40,45)(H,41,47)(H,42,46)/t30-,31+,32-,33-,34-/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]nor-BNI from KOR in guinea pig brain membranes


Bioorg Med Chem 22: 4803-9 (2014)


Article DOI: 10.1016/j.bmc.2014.06.056
BindingDB Entry DOI: 10.7270/Q2251KT4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
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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PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Displacement of [3H]nor-BNI from KOR in guinea pig brain membranes


Bioorg Med Chem 22: 4803-9 (2014)


Article DOI: 10.1016/j.bmc.2014.06.056
BindingDB Entry DOI: 10.7270/Q2251KT4
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%