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Compile Data Set for Download or QSAR

Found 185 hits with Last Name = 'perlikowska' and Initial = 'r'   
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))
BDBM50143182
PNG
(CHEMBL3759167)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@@H](Cc2cccc3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C43H51N7O7/c1-25-19-30(51)20-26(2)32(25)23-33(44)40(54)47-34-17-8-9-18-46-38(52)24-35(39(45)53)48-43(57)37(22-29-15-10-14-28-13-6-7-16-31(28)29)50-42(56)36(49-41(34)55)21-27-11-4-3-5-12-27/h3-7,10-16,19-20,33-37,51H,8-9,17-18,21-24,44H2,1-2H3,(H2,45,53)(H,46,52)(H,47,54)(H,48,57)(H,49,55)(H,50,56)/t33-,34+,35-,36-,37+/m0/s1
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0.25n/an/an/an/an/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from MOR in Wistar rat brain homogenates by liquid scintillation counting analysis


Eur J Med Chem 109: 276-86 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.012
BindingDB Entry DOI: 10.7270/Q22809FJ
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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0.350n/an/an/an/an/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from MOR in Wistar rat brain homogenates by liquid scintillation counting analysis


Eur J Med Chem 109: 276-86 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.012
BindingDB Entry DOI: 10.7270/Q22809FJ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50143183
PNG
(CHEMBL3759179)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C43H51N7O7/c1-25-18-31(51)19-26(2)32(25)23-33(44)40(54)47-34-14-8-9-17-46-38(52)24-35(39(45)53)48-42(56)37(22-28-15-16-29-12-6-7-13-30(29)20-28)50-43(57)36(49-41(34)55)21-27-10-4-3-5-11-27/h3-7,10-13,15-16,18-20,33-37,51H,8-9,14,17,21-24,44H2,1-2H3,(H2,45,53)(H,46,52)(H,47,54)(H,48,56)(H,49,55)(H,50,57)/t33-,34+,35-,36-,37+/m0/s1
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0.440n/an/an/an/an/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from MOR in Wistar rat brain homogenates by liquid scintillation counting analysis


Eur J Med Chem 109: 276-86 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.012
BindingDB Entry DOI: 10.7270/Q22809FJ
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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0.490n/an/an/an/an/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from MOR in Wistar rat brain homogenates by liquid scintillation counting analysis


Eur J Med Chem 109: 276-86 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.012
BindingDB Entry DOI: 10.7270/Q22809FJ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50143183
PNG
(CHEMBL3759179)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C43H51N7O7/c1-25-18-31(51)19-26(2)32(25)23-33(44)40(54)47-34-14-8-9-17-46-38(52)24-35(39(45)53)48-42(56)37(22-28-15-16-29-12-6-7-13-30(29)20-28)50-43(57)36(49-41(34)55)21-27-10-4-3-5-11-27/h3-7,10-13,15-16,18-20,33-37,51H,8-9,14,17,21-24,44H2,1-2H3,(H2,45,53)(H,46,52)(H,47,54)(H,48,56)(H,49,55)(H,50,57)/t33-,34+,35-,36-,37+/m0/s1
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1n/an/an/an/an/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Displacement of [3H]nor-BNI from KOR in Dunkin Hartley guinea pig brain homogenates by liquid scintillation counting analysis


Eur J Med Chem 109: 276-86 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.012
BindingDB Entry DOI: 10.7270/Q22809FJ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
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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1.10n/an/an/an/an/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Displacement of [3H]nor-BNI from KOR in Dunkin Hartley guinea pig brain homogenates by liquid scintillation counting analysis


Eur J Med Chem 109: 276-86 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.012
BindingDB Entry DOI: 10.7270/Q22809FJ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50143182
PNG
(CHEMBL3759167)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@@H](Cc2cccc3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C43H51N7O7/c1-25-19-30(51)20-26(2)32(25)23-33(44)40(54)47-34-17-8-9-18-46-38(52)24-35(39(45)53)48-43(57)37(22-29-15-10-14-28-13-6-7-16-31(28)29)50-42(56)36(49-41(34)55)21-27-11-4-3-5-12-27/h3-7,10-16,19-20,33-37,51H,8-9,17-18,21-24,44H2,1-2H3,(H2,45,53)(H,46,52)(H,47,54)(H,48,57)(H,49,55)(H,50,56)/t33-,34+,35-,36-,37+/m0/s1
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1.80n/an/an/an/an/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Displacement of [3H]nor-BNI from KOR in Dunkin Hartley guinea pig brain homogenates by liquid scintillation counting analysis


Eur J Med Chem 109: 276-86 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.012
BindingDB Entry DOI: 10.7270/Q22809FJ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50143181
PNG
(CHEMBL3759981)
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](Cc2ccc3ccccc3c2)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C43H51N7O7/c1-25-18-31(51)19-26(2)32(25)23-33(44)40(54)47-34-14-8-9-17-46-38(52)24-35(39(45)53)48-42(56)36(21-27-10-4-3-5-11-27)50-43(57)37(49-41(34)55)22-28-15-16-29-12-6-7-13-30(29)20-28/h3-7,10-13,15-16,18-20,33-37,51H,8-9,14,17,21-24,44H2,1-2H3,(H2,45,53)(H,46,52)(H,47,54)(H,48,56)(H,49,55)(H,50,57)/t33-,34+,35-,36-,37+/m0/s1
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17n/an/an/an/an/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from MOR in Wistar rat brain homogenates by liquid scintillation counting analysis


Eur J Med Chem 109: 276-86 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.012
BindingDB Entry DOI: 10.7270/Q22809FJ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50143182
PNG
(CHEMBL3759167)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@@H](Cc2cccc3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C43H51N7O7/c1-25-19-30(51)20-26(2)32(25)23-33(44)40(54)47-34-17-8-9-18-46-38(52)24-35(39(45)53)48-43(57)37(22-29-15-10-14-28-13-6-7-16-31(28)29)50-42(56)36(49-41(34)55)21-27-11-4-3-5-12-27/h3-7,10-16,19-20,33-37,51H,8-9,17-18,21-24,44H2,1-2H3,(H2,45,53)(H,46,52)(H,47,54)(H,48,57)(H,49,55)(H,50,56)/t33-,34+,35-,36-,37+/m0/s1
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51n/an/an/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 Wistar rat brain homogenates by liquid scintillation counting analysis


Eur J Med Chem 109: 276-86 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.012
BindingDB Entry DOI: 10.7270/Q22809FJ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50143180
PNG
(CHEMBL3758969)
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](Cc2cccc3ccccc23)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C43H51N7O7/c1-25-19-30(51)20-26(2)32(25)23-33(44)40(54)47-34-17-8-9-18-46-38(52)24-35(39(45)53)48-42(56)36(21-27-11-4-3-5-12-27)49-43(57)37(50-41(34)55)22-29-15-10-14-28-13-6-7-16-31(28)29/h3-7,10-16,19-20,33-37,51H,8-9,17-18,21-24,44H2,1-2H3,(H2,45,53)(H,46,52)(H,47,54)(H,48,56)(H,49,57)(H,50,55)/t33-,34+,35-,36-,37+/m0/s1
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57n/an/an/an/an/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Displacement of [3H]nor-BNI from KOR in Dunkin Hartley guinea pig brain homogenates by liquid scintillation counting analysis


Eur J Med Chem 109: 276-86 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.012
BindingDB Entry DOI: 10.7270/Q22809FJ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50143180
PNG
(CHEMBL3758969)
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](Cc2cccc3ccccc23)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C43H51N7O7/c1-25-19-30(51)20-26(2)32(25)23-33(44)40(54)47-34-17-8-9-18-46-38(52)24-35(39(45)53)48-42(56)36(21-27-11-4-3-5-12-27)49-43(57)37(50-41(34)55)22-29-15-10-14-28-13-6-7-16-31(28)29/h3-7,10-16,19-20,33-37,51H,8-9,17-18,21-24,44H2,1-2H3,(H2,45,53)(H,46,52)(H,47,54)(H,48,56)(H,49,57)(H,50,55)/t33-,34+,35-,36-,37+/m0/s1
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69n/an/an/an/an/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from MOR in Wistar rat brain homogenates by liquid scintillation counting analysis


Eur J Med Chem 109: 276-86 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.012
BindingDB Entry DOI: 10.7270/Q22809FJ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50143183
PNG
(CHEMBL3759179)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C43H51N7O7/c1-25-18-31(51)19-26(2)32(25)23-33(44)40(54)47-34-14-8-9-17-46-38(52)24-35(39(45)53)48-42(56)37(22-28-15-16-29-12-6-7-13-30(29)20-28)50-43(57)36(49-41(34)55)21-27-10-4-3-5-11-27/h3-7,10-13,15-16,18-20,33-37,51H,8-9,14,17,21-24,44H2,1-2H3,(H2,45,53)(H,46,52)(H,47,54)(H,48,56)(H,49,55)(H,50,57)/t33-,34+,35-,36-,37+/m0/s1
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110n/an/an/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 Wistar rat brain homogenates by liquid scintillation counting analysis


Eur J Med Chem 109: 276-86 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.012
BindingDB Entry DOI: 10.7270/Q22809FJ
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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171n/an/an/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 Wistar rat brain homogenates by liquid scintillation counting analysis


Eur J Med Chem 109: 276-86 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.012
BindingDB Entry DOI: 10.7270/Q22809FJ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50143181
PNG
(CHEMBL3759981)
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](Cc2ccc3ccccc3c2)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C43H51N7O7/c1-25-18-31(51)19-26(2)32(25)23-33(44)40(54)47-34-14-8-9-17-46-38(52)24-35(39(45)53)48-42(56)36(21-27-10-4-3-5-11-27)50-43(57)37(49-41(34)55)22-28-15-16-29-12-6-7-13-30(29)20-28/h3-7,10-13,15-16,18-20,33-37,51H,8-9,14,17,21-24,44H2,1-2H3,(H2,45,53)(H,46,52)(H,47,54)(H,48,56)(H,49,55)(H,50,57)/t33-,34+,35-,36-,37+/m0/s1
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751n/an/an/an/an/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Displacement of [3H]nor-BNI from KOR in Dunkin Hartley guinea pig brain homogenates by liquid scintillation counting analysis


Eur J Med Chem 109: 276-86 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.012
BindingDB Entry DOI: 10.7270/Q22809FJ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50229666
PNG
((2S,3S)-2-((S)-1-((2S,3S)-2-amino-3-methylpentanoy...)
Show SMILES CC[C@H](C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)CC)C(O)=O
Show InChI InChI=1S/C17H31N3O4/c1-5-10(3)13(18)16(22)20-9-7-8-12(20)15(21)19-14(17(23)24)11(4)6-2/h10-14H,5-9,18H2,1-4H3,(H,19,21)(H,23,24)/t10-,11-,12-,13-,14-/m0/s1
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2.20E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of DPP-4 (unknown origin) assessed as inhibition of endomorphin-1 degradation after 30 min


Med Chem Res 21: 1445-1450 (2012)


Article DOI: 10.1007/s00044-011-9666-5
BindingDB Entry DOI: 10.7270/Q2NP27BJ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50229666
PNG
((2S,3S)-2-((S)-1-((2S,3S)-2-amino-3-methylpentanoy...)
Show SMILES CC[C@H](C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)CC)C(O)=O
Show InChI InChI=1S/C17H31N3O4/c1-5-10(3)13(18)16(22)20-9-7-8-12(20)15(21)19-14(17(23)24)11(4)6-2/h10-14H,5-9,18H2,1-4H3,(H,19,21)(H,23,24)/t10-,11-,12-,13-,14-/m0/s1
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2.20E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of DPP-4 (unknown origin) assessed as inhibition of endomorphin-2 degradation after 30 min


Med Chem Res 21: 1445-1450 (2012)


Article DOI: 10.1007/s00044-011-9666-5
BindingDB Entry DOI: 10.7270/Q2NP27BJ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50143181
PNG
(CHEMBL3759981)
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](Cc2ccc3ccccc3c2)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C43H51N7O7/c1-25-18-31(51)19-26(2)32(25)23-33(44)40(54)47-34-14-8-9-17-46-38(52)24-35(39(45)53)48-42(56)36(21-27-10-4-3-5-11-27)50-43(57)37(49-41(34)55)22-28-15-16-29-12-6-7-13-30(29)20-28/h3-7,10-13,15-16,18-20,33-37,51H,8-9,14,17,21-24,44H2,1-2H3,(H2,45,53)(H,46,52)(H,47,54)(H,48,56)(H,49,55)(H,50,57)/t33-,34+,35-,36-,37+/m0/s1
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4.25E+3n/an/an/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 Wistar rat brain homogenates by liquid scintillation counting analysis


Eur J Med Chem 109: 276-86 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.012
BindingDB Entry DOI: 10.7270/Q22809FJ
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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7.83E+3n/an/an/an/an/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Displacement of [3H]nor-BNI from KOR in Dunkin Hartley guinea pig brain homogenates by liquid scintillation counting analysis


Eur J Med Chem 109: 276-86 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.012
BindingDB Entry DOI: 10.7270/Q22809FJ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50143180
PNG
(CHEMBL3758969)
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](Cc2cccc3ccccc23)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C43H51N7O7/c1-25-19-30(51)20-26(2)32(25)23-33(44)40(54)47-34-17-8-9-18-46-38(52)24-35(39(45)53)48-42(56)36(21-27-11-4-3-5-12-27)49-43(57)37(50-41(34)55)22-29-15-10-14-28-13-6-7-16-31(28)29/h3-7,10-16,19-20,33-37,51H,8-9,17-18,21-24,44H2,1-2H3,(H2,45,53)(H,46,52)(H,47,54)(H,48,56)(H,49,57)(H,50,55)/t33-,34+,35-,36-,37+/m0/s1
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9.17E+3n/an/an/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 Wistar rat brain homogenates by liquid scintillation counting analysis


Eur J Med Chem 109: 276-86 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.012
BindingDB Entry DOI: 10.7270/Q22809FJ
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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9.62E+3n/an/an/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 Wistar rat brain homogenates by liquid scintillation counting analysis


Eur J Med Chem 109: 276-86 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.012
BindingDB Entry DOI: 10.7270/Q22809FJ
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50487907
PNG
(CHEMBL2261078)
Show SMILES C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1S/C17H24N4O4/c1-10(15(19)23)20-16(24)14-3-2-8-21(14)17(25)13(18)9-11-4-6-12(22)7-5-11/h4-7,10,13-14,22H,2-3,8-9,18H2,1H3,(H2,19,23)(H,20,24)/t10-,13-,14-/m0/s1
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8.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of APM (unknown origin) assessed as inhibition of endomorphin-2 degradation after 30 min


Med Chem Res 21: 1445-1450 (2012)


Article DOI: 10.1007/s00044-011-9666-5
BindingDB Entry DOI: 10.7270/Q2NP27BJ
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50487906
PNG
(CHEMBL2261077)
Show SMILES C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O |r|
Show InChI InChI=1S/C17H23N3O5/c1-10(17(24)25)19-15(22)14-3-2-8-20(14)16(23)13(18)9-11-4-6-12(21)7-5-11/h4-7,10,13-14,21H,2-3,8-9,18H2,1H3,(H,19,22)(H,24,25)/t10-,13-,14-/m0/s1
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1.00E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of APM (unknown origin) assessed as inhibition of endomorphin-1 degradation after 30 min


Med Chem Res 21: 1445-1450 (2012)


Article DOI: 10.1007/s00044-011-9666-5
BindingDB Entry DOI: 10.7270/Q2NP27BJ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50487906
PNG
(CHEMBL2261077)
Show SMILES C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O |r|
Show InChI InChI=1S/C17H23N3O5/c1-10(17(24)25)19-15(22)14-3-2-8-20(14)16(23)13(18)9-11-4-6-12(21)7-5-11/h4-7,10,13-14,21H,2-3,8-9,18H2,1H3,(H,19,22)(H,24,25)/t10-,13-,14-/m0/s1
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1.00E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of DPP-4 (unknown origin) assessed as inhibition of endomorphin-2 degradation after 30 min


Med Chem Res 21: 1445-1450 (2012)


Article DOI: 10.1007/s00044-011-9666-5
BindingDB Entry DOI: 10.7270/Q2NP27BJ
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50487907
PNG
(CHEMBL2261078)
Show SMILES C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1S/C17H24N4O4/c1-10(15(19)23)20-16(24)14-3-2-8-21(14)17(25)13(18)9-11-4-6-12(22)7-5-11/h4-7,10,13-14,22H,2-3,8-9,18H2,1H3,(H2,19,23)(H,20,24)/t10-,13-,14-/m0/s1
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1.30E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of APM (unknown origin) assessed as inhibition of endomorphin-1 degradation after 30 min


Med Chem Res 21: 1445-1450 (2012)


Article DOI: 10.1007/s00044-011-9666-5
BindingDB Entry DOI: 10.7270/Q2NP27BJ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50487907
PNG
(CHEMBL2261078)
Show SMILES C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1S/C17H24N4O4/c1-10(15(19)23)20-16(24)14-3-2-8-21(14)17(25)13(18)9-11-4-6-12(22)7-5-11/h4-7,10,13-14,22H,2-3,8-9,18H2,1H3,(H2,19,23)(H,20,24)/t10-,13-,14-/m0/s1
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1.70E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of DPP-4 (unknown origin) assessed as inhibition of endomorphin-2 degradation after 30 min


Med Chem Res 21: 1445-1450 (2012)


Article DOI: 10.1007/s00044-011-9666-5
BindingDB Entry DOI: 10.7270/Q2NP27BJ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50487906
PNG
(CHEMBL2261077)
Show SMILES C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O |r|
Show InChI InChI=1S/C17H23N3O5/c1-10(17(24)25)19-15(22)14-3-2-8-20(14)16(23)13(18)9-11-4-6-12(21)7-5-11/h4-7,10,13-14,21H,2-3,8-9,18H2,1H3,(H,19,22)(H,24,25)/t10-,13-,14-/m0/s1
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2.70E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of DPP-4 (unknown origin) assessed as inhibition of endomorphin-1 degradation after 30 min


Med Chem Res 21: 1445-1450 (2012)


Article DOI: 10.1007/s00044-011-9666-5
BindingDB Entry DOI: 10.7270/Q2NP27BJ
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50487906
PNG
(CHEMBL2261077)
Show SMILES C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O |r|
Show InChI InChI=1S/C17H23N3O5/c1-10(17(24)25)19-15(22)14-3-2-8-20(14)16(23)13(18)9-11-4-6-12(21)7-5-11/h4-7,10,13-14,21H,2-3,8-9,18H2,1H3,(H,19,22)(H,24,25)/t10-,13-,14-/m0/s1
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2.90E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of APM (unknown origin) assessed as inhibition of endomorphin-2 degradation after 30 min


Med Chem Res 21: 1445-1450 (2012)


Article DOI: 10.1007/s00044-011-9666-5
BindingDB Entry DOI: 10.7270/Q2NP27BJ
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50089194
PNG
((R)-N*4*-Hydroxy-N*1*-[(S)-1-((S)-2-hydroxymethyl-...)
Show SMILES CCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1CO
Show InChI InChI=1S/C19H35N3O5/c1-4-5-6-8-14(11-16(24)21-27)18(25)20-17(13(2)3)19(26)22-10-7-9-15(22)12-23/h13-15,17,23,27H,4-12H2,1-3H3,(H,20,25)(H,21,24)/t14-,15+,17+/m1/s1
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3.00E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of APM (unknown origin) assessed as inhibition of endomorphin-2 degradation after 30 min


Med Chem Res 21: 1445-1450 (2012)


Article DOI: 10.1007/s00044-011-9666-5
BindingDB Entry DOI: 10.7270/Q2NP27BJ
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50089194
PNG
((R)-N*4*-Hydroxy-N*1*-[(S)-1-((S)-2-hydroxymethyl-...)
Show SMILES CCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1CO
Show InChI InChI=1S/C19H35N3O5/c1-4-5-6-8-14(11-16(24)21-27)18(25)20-17(13(2)3)19(26)22-10-7-9-15(22)12-23/h13-15,17,23,27H,4-12H2,1-3H3,(H,20,25)(H,21,24)/t14-,15+,17+/m1/s1
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3.90E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of APM (unknown origin) assessed as inhibition of endomorphin-1 degradation after 30 min


Med Chem Res 21: 1445-1450 (2012)


Article DOI: 10.1007/s00044-011-9666-5
BindingDB Entry DOI: 10.7270/Q2NP27BJ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50487907
PNG
(CHEMBL2261078)
Show SMILES C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1S/C17H24N4O4/c1-10(15(19)23)20-16(24)14-3-2-8-21(14)17(25)13(18)9-11-4-6-12(22)7-5-11/h4-7,10,13-14,22H,2-3,8-9,18H2,1H3,(H2,19,23)(H,20,24)/t10-,13-,14-/m0/s1
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4.20E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of DPP-4 (unknown origin) assessed as inhibition of endomorphin-1 degradation after 30 min


Med Chem Res 21: 1445-1450 (2012)


Article DOI: 10.1007/s00044-011-9666-5
BindingDB Entry DOI: 10.7270/Q2NP27BJ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50037079
PNG
(CHEMBL3355781)
Show SMILES [H][C@]12CC[C@@]([H])(CC1)NC(=O)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C2)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(N)=O |r,wU:43.47,38.43,27.29,16.17,1.0,wD:12.59,4.4,(9.15,-12.58,;10.78,-11.64,;10.78,-13.18,;12.1,-13.95,;13.44,-13.19,;12.5,-14.82,;13.44,-11.65,;12.11,-10.87,;13.46,-16.37,;14.64,-15.44,;15.96,-16.24,;14.68,-13.9,;16.03,-13.16,;16.06,-11.62,;17.41,-10.88,;18.73,-11.68,;17.45,-9.33,;18.8,-8.58,;20.12,-9.37,;20.09,-10.91,;21.42,-11.7,;22.76,-10.95,;22.78,-9.4,;21.46,-8.62,;16.12,-8.56,;14.78,-9.33,;14.78,-10.87,;13.45,-8.56,;13.45,-7.02,;14.78,-6.25,;16.12,-7.03,;17.46,-6.25,;17.46,-4.71,;16.12,-3.94,;14.78,-4.71,;12.12,-9.33,;10.78,-8.56,;10.78,-7.02,;9.45,-9.33,;9.45,-10.87,;8.12,-8.56,;6.78,-9.33,;6.78,-10.87,;5.45,-8.56,;4.11,-9.33,;5.45,-7.02,;4.11,-6.25,;2.79,-7.03,;2.8,-8.57,;1.46,-6.26,;1.45,-4.71,;.12,-3.95,;2.79,-3.94,;4.12,-4.71,;5.46,-3.95,;17.34,-13.96,;17.31,-15.5,;18.7,-13.22,)|
Show InChI InChI=1S/C42H53N7O7/c1-24-17-30(50)18-25(2)31(24)22-32(43)39(53)47-34-21-28-13-15-29(16-14-28)45-37(51)23-33(38(44)52)46-40(54)35(19-26-9-5-3-6-10-26)48-42(56)36(49-41(34)55)20-27-11-7-4-8-12-27/h3-12,17-18,28-29,32-36,50H,13-16,19-23,43H2,1-2H3,(H2,44,52)(H,45,51)(H,46,54)(H,47,53)(H,48,56)(H,49,55)/t28-,29?,32-,33-,34+,35-,36-/m0/s1
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n/an/a 0.0220n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from MOR in Wistar rat brain membranes by liquid scintillation counting method


Bioorg Med Chem 22: 6545-51 (2015)


Article DOI: 10.1016/j.bmc.2014.10.022
BindingDB Entry DOI: 10.7270/Q2HT2QZJ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50278897
PNG
((R)-N-((S)-1-((S)-1-amino-1-oxo-3-phenylpropan-2-y...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H](C1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C35H43N5O5/c1-22-16-27(41)17-23(2)28(22)20-29(36)35(45)40-15-9-14-26(21-40)33(43)39-31(19-25-12-7-4-8-13-25)34(44)38-30(32(37)42)18-24-10-5-3-6-11-24/h3-8,10-13,16-17,26,29-31,41H,9,14-15,18-21,36H2,1-2H3,(H2,37,42)(H,38,44)(H,39,43)/t26-,29+,30+,31+/m1/s1
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n/an/a 0.0350n/an/an/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in Wistar rat brain membrane


Bioorg Med Chem 17: 3789-94 (2009)


Article DOI: 10.1016/j.bmc.2009.04.046
BindingDB Entry DOI: 10.7270/Q2BV7GHH
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50037080
PNG
(CHEMBL3355780)
Show SMILES [H][C@]12CC[C@]([H])(CC1)NC(=O)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C2)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(N)=O |r,wU:43.47,38.43,27.29,16.17,4.4,1.0,wD:12.59,(9.15,-12.58,;10.78,-11.64,;10.78,-13.18,;12.1,-13.95,;13.44,-13.19,;12.5,-14.82,;13.44,-11.65,;12.11,-10.87,;13.46,-16.37,;14.64,-15.44,;15.96,-16.24,;14.68,-13.9,;16.03,-13.16,;16.06,-11.62,;17.41,-10.88,;18.73,-11.68,;17.45,-9.33,;18.8,-8.58,;20.12,-9.37,;20.09,-10.91,;21.42,-11.7,;22.76,-10.95,;22.78,-9.4,;21.46,-8.62,;16.12,-8.56,;14.78,-9.33,;14.78,-10.87,;13.45,-8.56,;13.45,-7.02,;14.78,-6.25,;16.12,-7.03,;17.46,-6.25,;17.46,-4.71,;16.12,-3.94,;14.78,-4.71,;12.12,-9.33,;10.78,-8.56,;10.78,-7.02,;9.45,-9.33,;9.45,-10.87,;8.12,-8.56,;6.78,-9.33,;6.78,-10.87,;5.45,-8.56,;4.11,-9.33,;5.45,-7.02,;4.11,-6.25,;2.79,-7.03,;2.8,-8.57,;1.46,-6.26,;1.45,-4.71,;.12,-3.95,;2.79,-3.94,;4.12,-4.71,;5.46,-3.95,;17.34,-13.96,;17.31,-15.5,;18.7,-13.22,)|
Show InChI InChI=1S/C42H53N7O7/c1-24-17-30(50)18-25(2)31(24)22-32(43)39(53)47-34-21-28-13-15-29(16-14-28)45-37(51)23-33(38(44)52)46-40(54)35(19-26-9-5-3-6-10-26)48-42(56)36(49-41(34)55)20-27-11-7-4-8-12-27/h3-12,17-18,28-29,32-36,50H,13-16,19-23,43H2,1-2H3,(H2,44,52)(H,45,51)(H,46,54)(H,47,53)(H,48,56)(H,49,55)/t28-,29?,32-,33-,34+,35-,36-/m0/s1
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n/an/a 0.0400n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from MOR in Wistar rat brain membranes by liquid scintillation counting method


Bioorg Med Chem 22: 6545-51 (2015)


Article DOI: 10.1016/j.bmc.2014.10.022
BindingDB Entry DOI: 10.7270/Q2HT2QZJ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50278895
PNG
((R)-N-((S)-1-((S)-1-amino-1-oxo-3-phenylpropan-2-y...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H](C1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C33H39N5O5/c34-27(18-24-13-15-26(39)16-14-24)33(43)38-17-7-12-25(21-38)31(41)37-29(20-23-10-5-2-6-11-23)32(42)36-28(30(35)40)19-22-8-3-1-4-9-22/h1-6,8-11,13-16,25,27-29,39H,7,12,17-21,34H2,(H2,35,40)(H,36,42)(H,37,41)/t25-,27+,28+,29+/m1/s1
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n/an/a 0.0400n/an/an/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in Wistar rat brain membrane


Bioorg Med Chem 17: 3789-94 (2009)


Article DOI: 10.1016/j.bmc.2009.04.046
BindingDB Entry DOI: 10.7270/Q2BV7GHH
More data for this
Ligand-Target Pair
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
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50096787
PNG
(CHEMBL3580749)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccc(F)cc2F)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C39H47F2N7O7/c1-21-14-26(49)15-22(2)27(21)19-29(42)36(52)45-30-10-6-7-13-44-34(50)20-31(35(43)51)46-39(55)33(17-24-11-12-25(40)18-28(24)41)48-38(54)32(47-37(30)53)16-23-8-4-3-5-9-23/h3-5,8-9,11-12,14-15,18,29-33,49H,6-7,10,13,16-17,19-20,42H2,1-2H3,(H2,43,51)(H,44,50)(H,45,52)(H,46,55)(H,47,53)(H,48,54)/t29-,30+,31-,32-,33-/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Displacement of [3H]nor-BNI from kappa opioid receptor in guinea pig brain membranes after 120 mins by scintillation counting analysis


ACS Med Chem Lett 6: 579-83 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00056
BindingDB Entry DOI: 10.7270/Q2FF3V3Z
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50037079
PNG
(CHEMBL3355781)
Show SMILES [H][C@]12CC[C@@]([H])(CC1)NC(=O)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C2)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(N)=O |r,wU:43.47,38.43,27.29,16.17,1.0,wD:12.59,4.4,(9.15,-12.58,;10.78,-11.64,;10.78,-13.18,;12.1,-13.95,;13.44,-13.19,;12.5,-14.82,;13.44,-11.65,;12.11,-10.87,;13.46,-16.37,;14.64,-15.44,;15.96,-16.24,;14.68,-13.9,;16.03,-13.16,;16.06,-11.62,;17.41,-10.88,;18.73,-11.68,;17.45,-9.33,;18.8,-8.58,;20.12,-9.37,;20.09,-10.91,;21.42,-11.7,;22.76,-10.95,;22.78,-9.4,;21.46,-8.62,;16.12,-8.56,;14.78,-9.33,;14.78,-10.87,;13.45,-8.56,;13.45,-7.02,;14.78,-6.25,;16.12,-7.03,;17.46,-6.25,;17.46,-4.71,;16.12,-3.94,;14.78,-4.71,;12.12,-9.33,;10.78,-8.56,;10.78,-7.02,;9.45,-9.33,;9.45,-10.87,;8.12,-8.56,;6.78,-9.33,;6.78,-10.87,;5.45,-8.56,;4.11,-9.33,;5.45,-7.02,;4.11,-6.25,;2.79,-7.03,;2.8,-8.57,;1.46,-6.26,;1.45,-4.71,;.12,-3.95,;2.79,-3.94,;4.12,-4.71,;5.46,-3.95,;17.34,-13.96,;17.31,-15.5,;18.7,-13.22,)|
Show InChI InChI=1S/C42H53N7O7/c1-24-17-30(50)18-25(2)31(24)22-32(43)39(53)47-34-21-28-13-15-29(16-14-28)45-37(51)23-33(38(44)52)46-40(54)35(19-26-9-5-3-6-10-26)48-42(56)36(49-41(34)55)20-27-11-7-4-8-12-27/h3-12,17-18,28-29,32-36,50H,13-16,19-23,43H2,1-2H3,(H2,44,52)(H,45,51)(H,46,54)(H,47,53)(H,48,56)(H,49,55)/t28-,29?,32-,33-,34+,35-,36-/m0/s1
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n/an/a 0.380n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H][Ile5,6]deltorphin-2 from DOR in Wistar rat brain membranes by liquid scintillation counting method


Bioorg Med Chem 22: 6545-51 (2015)


Article DOI: 10.1016/j.bmc.2014.10.022
BindingDB Entry DOI: 10.7270/Q2HT2QZJ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50278893
PNG
((R)-N-((S)-1-((S)-1-amino-1-oxo-3-phenylpropan-2-y...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H](C1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C37H44N6O5/c1-22-15-27(44)16-23(2)29(22)19-30(38)37(48)43-14-8-11-25(21-43)35(46)42-33(18-26-20-40-31-13-7-6-12-28(26)31)36(47)41-32(34(39)45)17-24-9-4-3-5-10-24/h3-7,9-10,12-13,15-16,20,25,30,32-33,40,44H,8,11,14,17-19,21,38H2,1-2H3,(H2,39,45)(H,41,47)(H,42,46)/t25-,30+,32+,33+/m1/s1
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n/an/a 0.380n/an/an/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in Wistar rat brain membrane


Bioorg Med Chem 17: 3789-94 (2009)


Article DOI: 10.1016/j.bmc.2009.04.046
BindingDB Entry DOI: 10.7270/Q2BV7GHH
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50092198
PNG
(CHEMBL3580743)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccc(F)cc2F)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C37H43F2N7O7/c38-24-12-11-23(26(39)19-24)18-31-37(53)44-29(33(41)49)20-32(48)42-15-5-4-8-28(43-34(50)27(40)16-22-9-13-25(47)14-10-22)35(51)45-30(36(52)46-31)17-21-6-2-1-3-7-21/h1-3,6-7,9-14,19,27-31,47H,4-5,8,15-18,20,40H2,(H2,41,49)(H,42,48)(H,43,50)(H,44,53)(H,45,51)(H,46,52)/t27-,28+,29-,30-,31-/m0/s1
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n/an/a 0.420n/an/an/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in Wistar rat brain membranes after 120 mins by scintillation counting analysis


ACS Med Chem Lett 6: 579-83 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00056
BindingDB Entry DOI: 10.7270/Q2FF3V3Z
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
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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n/an/a 0.430n/an/an/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in Wistar rat brain membrane


Bioorg Med Chem 17: 3789-94 (2009)


Article DOI: 10.1016/j.bmc.2009.04.046
BindingDB Entry DOI: 10.7270/Q2BV7GHH
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50096787
PNG
(CHEMBL3580749)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccc(F)cc2F)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C39H47F2N7O7/c1-21-14-26(49)15-22(2)27(21)19-29(42)36(52)45-30-10-6-7-13-44-34(50)20-31(35(43)51)46-39(55)33(17-24-11-12-25(40)18-28(24)41)48-38(54)32(47-37(30)53)16-23-8-4-3-5-9-23/h3-5,8-9,11-12,14-15,18,29-33,49H,6-7,10,13,16-17,19-20,42H2,1-2H3,(H2,43,51)(H,44,50)(H,45,52)(H,46,55)(H,47,53)(H,48,54)/t29-,30+,31-,32-,33-/m0/s1
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n/an/a 0.490n/an/an/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in Wistar rat brain membranes after 120 mins by scintillation counting analysis


ACS Med Chem Lett 6: 579-83 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00056
BindingDB Entry DOI: 10.7270/Q2FF3V3Z
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50096744
PNG
(CHEMBL3580746)
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](Cc2ccc(F)cc2F)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C39H47F2N7O7/c1-21-14-26(49)15-22(2)27(21)19-29(42)36(52)45-30-10-6-7-13-44-34(50)20-31(35(43)51)46-38(54)32(16-23-8-4-3-5-9-23)47-39(55)33(48-37(30)53)17-24-11-12-25(40)18-28(24)41/h3-5,8-9,11-12,14-15,18,29-33,49H,6-7,10,13,16-17,19-20,42H2,1-2H3,(H2,43,51)(H,44,50)(H,45,52)(H,46,54)(H,47,55)(H,48,53)/t29-,30+,31-,32-,33-/m0/s1
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n/an/a 0.540n/an/an/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in Wistar rat brain membranes after 120 mins by scintillation counting analysis


ACS Med Chem Lett 6: 579-83 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00056
BindingDB Entry DOI: 10.7270/Q2FF3V3Z
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50096736
PNG
(CHEMBL3580748)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C39H48FN7O7/c1-22-16-27(48)17-23(2)28(22)20-29(41)36(51)44-30-10-6-7-15-43-34(49)21-31(35(42)50)45-38(53)33(19-25-11-13-26(40)14-12-25)47-39(54)32(46-37(30)52)18-24-8-4-3-5-9-24/h3-5,8-9,11-14,16-17,29-33,48H,6-7,10,15,18-21,41H2,1-2H3,(H2,42,50)(H,43,49)(H,44,51)(H,45,53)(H,46,52)(H,47,54)/t29-,30+,31-,32-,33-/m0/s1
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n/an/a 0.550n/an/an/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Displacement of [3H]nor-BNI from kappa opioid receptor in guinea pig brain membranes after 120 mins by scintillation counting analysis


ACS Med Chem Lett 6: 579-83 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00056
BindingDB Entry DOI: 10.7270/Q2FF3V3Z
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50096745
PNG
(CHEMBL3580745)
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](Cc2ccc(F)cc2)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C39H48FN7O7/c1-22-16-27(48)17-23(2)28(22)20-29(41)36(51)44-30-10-6-7-15-43-34(49)21-31(35(42)50)45-38(53)32(18-24-8-4-3-5-9-24)47-39(54)33(46-37(30)52)19-25-11-13-26(40)14-12-25/h3-5,8-9,11-14,16-17,29-33,48H,6-7,10,15,18-21,41H2,1-2H3,(H2,42,50)(H,43,49)(H,44,51)(H,45,53)(H,46,52)(H,47,54)/t29-,30+,31-,32-,33-/m0/s1
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n/an/a 0.550n/an/an/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in Wistar rat brain membranes after 120 mins by scintillation counting analysis


ACS Med Chem Lett 6: 579-83 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00056
BindingDB Entry DOI: 10.7270/Q2FF3V3Z
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))
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



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from MOR in Wistar rat brain membranes by liquid scintillation counting method


Bioorg Med Chem 22: 6545-51 (2015)


Article DOI: 10.1016/j.bmc.2014.10.022
BindingDB Entry DOI: 10.7270/Q2HT2QZJ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50096744
PNG
(CHEMBL3580746)
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](Cc2ccc(F)cc2F)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C39H47F2N7O7/c1-21-14-26(49)15-22(2)27(21)19-29(42)36(52)45-30-10-6-7-13-44-34(50)20-31(35(43)51)46-38(54)32(16-23-8-4-3-5-9-23)47-39(55)33(48-37(30)53)17-24-11-12-25(40)18-28(24)41/h3-5,8-9,11-12,14-15,18,29-33,49H,6-7,10,13,16-17,19-20,42H2,1-2H3,(H2,43,51)(H,44,50)(H,45,52)(H,46,54)(H,47,55)(H,48,53)/t29-,30+,31-,32-,33-/m0/s1
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n/an/a 0.600n/an/an/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Displacement of [3H]nor-BNI from kappa opioid receptor in guinea pig brain membranes after 120 mins by scintillation counting analysis


ACS Med Chem Lett 6: 579-83 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00056
BindingDB Entry DOI: 10.7270/Q2FF3V3Z
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50092199
PNG
(CHEMBL3582487)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C37H44FN7O7/c38-25-13-9-24(10-14-25)20-31-36(51)43-29(33(40)48)21-32(47)41-17-5-4-8-28(42-34(49)27(39)18-23-11-15-26(46)16-12-23)35(50)44-30(37(52)45-31)19-22-6-2-1-3-7-22/h1-3,6-7,9-16,27-31,46H,4-5,8,17-21,39H2,(H2,40,48)(H,41,47)(H,42,49)(H,43,51)(H,44,50)(H,45,52)/t27-,28+,29-,30-,31-/m0/s1
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n/an/a 0.600n/an/an/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Displacement of [3H]nor-BNI from kappa opioid receptor in guinea pig brain membranes after 120 mins by scintillation counting analysis


ACS Med Chem Lett 6: 579-83 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00056
BindingDB Entry DOI: 10.7270/Q2FF3V3Z
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50096736
PNG
(CHEMBL3580748)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C39H48FN7O7/c1-22-16-27(48)17-23(2)28(22)20-29(41)36(51)44-30-10-6-7-15-43-34(49)21-31(35(42)50)45-38(53)33(19-25-11-13-26(40)14-12-25)47-39(54)32(46-37(30)52)18-24-8-4-3-5-9-24/h3-5,8-9,11-14,16-17,29-33,48H,6-7,10,15,18-21,41H2,1-2H3,(H2,42,50)(H,43,49)(H,44,51)(H,45,53)(H,46,52)(H,47,54)/t29-,30+,31-,32-,33-/m0/s1
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n/an/a 0.610n/an/an/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in Wistar rat brain membranes after 120 mins by scintillation counting analysis


ACS Med Chem Lett 6: 579-83 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00056
BindingDB Entry DOI: 10.7270/Q2FF3V3Z
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 0.690n/an/an/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in Wistar rat brain membrane


Bioorg Med Chem 17: 3789-94 (2009)


Article DOI: 10.1016/j.bmc.2009.04.046
BindingDB Entry DOI: 10.7270/Q2BV7GHH
More data for this
Ligand-Target Pair
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