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Compile Data Set for Download or QSAR

Found 143 hits with Last Name = 'cerlesi' and Initial = 'mc'   
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))
BDBM50148259
PNG
(CHEMBL3765406)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CC(F)(F)C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC(F)(F)C[C@@H]1C(N)=O |r|
Show InChI InChI=1S/C28H31F4N5O5/c29-27(30)12-21(23(34)39)36(14-27)26(42)20(11-16-4-2-1-3-5-16)35-24(40)22-13-28(31,32)15-37(22)25(41)19(33)10-17-6-8-18(38)9-7-17/h1-9,19-22,38H,10-15,33H2,(H2,34,39)(H,35,40)/t19-,20-,21+,22-/m0/s1
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0.370n/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 homogenate by scintillation counting analysis


Bioorg Med Chem 24: 1582-8 (2016)


Article DOI: 10.1016/j.bmc.2016.02.034
BindingDB Entry DOI: 10.7270/Q2Z321H7
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
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50237596
PNG
(CHEMBL4099423)
Show SMILES CN[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C39H49N7O7/c1-41-31(21-27-16-18-28(47)19-17-27)37(51)43-29-15-9-10-20-42-34(48)24-30(35(40)49)44-38(52)33(23-26-13-7-4-8-14-26)46(2)39(53)32(45-36(29)50)22-25-11-5-3-6-12-25/h3-8,11-14,16-19,29-33,41,47H,9-10,15,20-24H2,1-2H3,(H2,40,49)(H,42,48)(H,43,51)(H,44,52)(H,45,50)/t29-,30+,31+,32+,33+/m1/s1
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0.730n/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 after 180 mins by liquid scintillation counting analysis


Bioorg Med Chem Lett 27: 1644-1648 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.016
BindingDB Entry DOI: 10.7270/Q2BG2R9F
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))
BDBM50148257
PNG
(CHEMBL3764219)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC(F)(F)C[C@@H]1C(N)=O |r|
Show InChI InChI=1S/C28H33F2N5O5/c29-28(30)15-23(24(32)37)35(16-28)27(40)21(14-17-5-2-1-3-6-17)33-25(38)22-7-4-12-34(22)26(39)20(31)13-18-8-10-19(36)11-9-18/h1-3,5-6,8-11,20-23,36H,4,7,12-16,31H2,(H2,32,37)(H,33,38)/t20-,21-,22-,23+/m0/s1
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13n/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 homogenate by scintillation counting analysis


Bioorg Med Chem 24: 1582-8 (2016)


Article DOI: 10.1016/j.bmc.2016.02.034
BindingDB Entry DOI: 10.7270/Q2Z321H7
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
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50166066
PNG
(CHEMBL362991 | H-Tyr-Pro-Phe-Pro-NH2 | MORPHICEPTI...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(N)=O |r|
Show InChI InChI=1S/C28H35N5O5/c29-21(16-19-10-12-20(34)13-11-19)27(37)33-15-5-9-24(33)26(36)31-22(17-18-6-2-1-3-7-18)28(38)32-14-4-8-23(32)25(30)35/h1-3,6-7,10-13,21-24,34H,4-5,8-9,14-17,29H2,(H2,30,35)(H,31,36)/t21-,22-,23-,24-/m0/s1
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36n/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 homogenate by scintillation counting analysis


Bioorg Med Chem 24: 1582-8 (2016)


Article DOI: 10.1016/j.bmc.2016.02.034
BindingDB Entry DOI: 10.7270/Q2Z321H7
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
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50237595
PNG
(CHEMBL4065881)
Show SMILES CN[C@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)CNC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(N)=O |r|
Show InChI InChI=1S/C42H54N8O8/c1-44-33(22-29-17-19-30(51)20-18-29)39(55)47-31-16-10-11-21-45-36(52)25-32(38(43)54)48-41(57)35(24-28-14-8-5-9-15-28)49(2)37(53)26-46-40(56)34(50(3)42(31)58)23-27-12-6-4-7-13-27/h4-9,12-15,17-20,31-35,44,51H,10-11,16,21-26H2,1-3H3,(H2,43,54)(H,45,52)(H,46,56)(H,47,55)(H,48,57)/t31-,32-,33+,34-,35-/m0/s1
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77n/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 after 180 mins by liquid scintillation counting analysis


Bioorg Med Chem Lett 27: 1644-1648 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.016
BindingDB Entry DOI: 10.7270/Q2BG2R9F
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50148258
PNG
(CHEMBL3764033)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CC(F)(F)C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC(F)(F)C[C@H]1C(N)=O |r|
Show InChI InChI=1S/C28H31F4N5O5/c29-27(30)12-21(23(34)39)36(14-27)26(42)20(11-16-4-2-1-3-5-16)35-24(40)22-13-28(31,32)15-37(22)25(41)19(33)10-17-6-8-18(38)9-7-17/h1-9,19-22,38H,10-15,33H2,(H2,34,39)(H,35,40)/t19-,20-,21-,22-/m0/s1
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106n/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 homogenate by scintillation counting analysis


Bioorg Med Chem 24: 1582-8 (2016)


Article DOI: 10.1016/j.bmc.2016.02.034
BindingDB Entry DOI: 10.7270/Q2Z321H7
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50237594
PNG
(CHEMBL4087301)
Show SMILES CN[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)CNC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)N(C)C(=O)CNC1=O)C(N)=O |r|
Show InChI InChI=1S/C44H57N9O9/c1-46-34(22-30-17-19-31(54)20-18-30)42(60)51-32-16-10-11-21-47-37(55)25-33(40(45)58)50-38(56)26-48-43(61)35(23-28-12-6-4-7-13-28)53(3)44(62)36(24-29-14-8-5-9-15-29)52(2)39(57)27-49-41(32)59/h4-9,12-15,17-20,32-36,46,54H,10-11,16,21-27H2,1-3H3,(H2,45,58)(H,47,55)(H,48,61)(H,49,59)(H,50,56)(H,51,60)/t32-,33+,34+,35+,36+/m1/s1
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106n/an/an/an/an/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Binding affinity towards human peroxisome proliferator activated receptor alpha (PPAR alpha) was determined by HTRF assay


Bioorg Med Chem Lett 27: 1644-1648 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.016
BindingDB Entry DOI: 10.7270/Q2BG2R9F
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))
BDBM50148259
PNG
(CHEMBL3765406)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CC(F)(F)C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC(F)(F)C[C@@H]1C(N)=O |r|
Show InChI InChI=1S/C28H31F4N5O5/c29-27(30)12-21(23(34)39)36(14-27)26(42)20(11-16-4-2-1-3-5-16)35-24(40)22-13-28(31,32)15-37(22)25(41)19(33)10-17-6-8-18(38)9-7-17/h1-9,19-22,38H,10-15,33H2,(H2,34,39)(H,35,40)/t19-,20-,21+,22-/m0/s1
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386n/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 homogenate by scintillation counting analysis


Bioorg Med Chem 24: 1582-8 (2016)


Article DOI: 10.1016/j.bmc.2016.02.034
BindingDB Entry DOI: 10.7270/Q2Z321H7
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50237595
PNG
(CHEMBL4065881)
Show SMILES CN[C@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)CNC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(N)=O |r|
Show InChI InChI=1S/C42H54N8O8/c1-44-33(22-29-17-19-30(51)20-18-29)39(55)47-31-16-10-11-21-45-36(52)25-32(38(43)54)48-41(57)35(24-28-14-8-5-9-15-28)49(2)37(53)26-46-40(56)34(50(3)42(31)58)23-27-12-6-4-7-13-27/h4-9,12-15,17-20,31-35,44,51H,10-11,16,21-26H2,1-3H3,(H2,43,54)(H,45,52)(H,46,56)(H,47,55)(H,48,57)/t31-,32-,33+,34-,35-/m0/s1
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519n/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 after 180 mins by liquid scintillation counting analysis


Bioorg Med Chem Lett 27: 1644-1648 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.016
BindingDB Entry DOI: 10.7270/Q2BG2R9F
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
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50148258
PNG
(CHEMBL3764033)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CC(F)(F)C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC(F)(F)C[C@H]1C(N)=O |r|
Show InChI InChI=1S/C28H31F4N5O5/c29-27(30)12-21(23(34)39)36(14-27)26(42)20(11-16-4-2-1-3-5-16)35-24(40)22-13-28(31,32)15-37(22)25(41)19(33)10-17-6-8-18(38)9-7-17/h1-9,19-22,38H,10-15,33H2,(H2,34,39)(H,35,40)/t19-,20-,21-,22-/m0/s1
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>1.00E+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 homogenate by scintillation counting analysis


Bioorg Med Chem 24: 1582-8 (2016)


Article DOI: 10.1016/j.bmc.2016.02.034
BindingDB Entry DOI: 10.7270/Q2Z321H7
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50148257
PNG
(CHEMBL3764219)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC(F)(F)C[C@@H]1C(N)=O |r|
Show InChI InChI=1S/C28H33F2N5O5/c29-28(30)15-23(24(32)37)35(16-28)27(40)21(14-17-5-2-1-3-6-17)33-25(38)22-7-4-12-34(22)26(39)20(31)13-18-8-10-19(36)11-9-18/h1-3,5-6,8-11,20-23,36H,4,7,12-16,31H2,(H2,32,37)(H,33,38)/t20-,21-,22-,23+/m0/s1
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>1.00E+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 homogenate by scintillation counting analysis


Bioorg Med Chem 24: 1582-8 (2016)


Article DOI: 10.1016/j.bmc.2016.02.034
BindingDB Entry DOI: 10.7270/Q2Z321H7
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50148256
PNG
(CHEMBL3765790)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CC(F)(F)C[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(N)=O |r|
Show InChI InChI=1S/C28H33F2N5O5/c29-28(30)15-23(35(16-28)26(39)20(31)13-18-8-10-19(36)11-9-18)25(38)33-21(14-17-5-2-1-3-6-17)27(40)34-12-4-7-22(34)24(32)37/h1-3,5-6,8-11,20-23,36H,4,7,12-16,31H2,(H2,32,37)(H,33,38)/t20-,21-,22-,23+/m0/s1
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>1.00E+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 homogenate by scintillation counting analysis


Bioorg Med Chem 24: 1582-8 (2016)


Article DOI: 10.1016/j.bmc.2016.02.034
BindingDB Entry DOI: 10.7270/Q2Z321H7
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50148259
PNG
(CHEMBL3765406)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CC(F)(F)C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC(F)(F)C[C@@H]1C(N)=O |r|
Show InChI InChI=1S/C28H31F4N5O5/c29-27(30)12-21(23(34)39)36(14-27)26(42)20(11-16-4-2-1-3-5-16)35-24(40)22-13-28(31,32)15-37(22)25(41)19(33)10-17-6-8-18(38)9-7-17/h1-9,19-22,38H,10-15,33H2,(H2,34,39)(H,35,40)/t19-,20-,21+,22-/m0/s1
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>1.00E+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 homogenate by scintillation counting analysis


Bioorg Med Chem 24: 1582-8 (2016)


Article DOI: 10.1016/j.bmc.2016.02.034
BindingDB Entry DOI: 10.7270/Q2Z321H7
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50148258
PNG
(CHEMBL3764033)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CC(F)(F)C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC(F)(F)C[C@H]1C(N)=O |r|
Show InChI InChI=1S/C28H31F4N5O5/c29-27(30)12-21(23(34)39)36(14-27)26(42)20(11-16-4-2-1-3-5-16)35-24(40)22-13-28(31,32)15-37(22)25(41)19(33)10-17-6-8-18(38)9-7-17/h1-9,19-22,38H,10-15,33H2,(H2,34,39)(H,35,40)/t19-,20-,21-,22-/m0/s1
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>1.00E+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 homogenate by scintillation counting analysis


Bioorg Med Chem 24: 1582-8 (2016)


Article DOI: 10.1016/j.bmc.2016.02.034
BindingDB Entry DOI: 10.7270/Q2Z321H7
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50148257
PNG
(CHEMBL3764219)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC(F)(F)C[C@@H]1C(N)=O |r|
Show InChI InChI=1S/C28H33F2N5O5/c29-28(30)15-23(24(32)37)35(16-28)27(40)21(14-17-5-2-1-3-6-17)33-25(38)22-7-4-12-34(22)26(39)20(31)13-18-8-10-19(36)11-9-18/h1-3,5-6,8-11,20-23,36H,4,7,12-16,31H2,(H2,32,37)(H,33,38)/t20-,21-,22-,23+/m0/s1
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>1.00E+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 homogenate by scintillation counting analysis


Bioorg Med Chem 24: 1582-8 (2016)


Article DOI: 10.1016/j.bmc.2016.02.034
BindingDB Entry DOI: 10.7270/Q2Z321H7
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50148256
PNG
(CHEMBL3765790)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CC(F)(F)C[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(N)=O |r|
Show InChI InChI=1S/C28H33F2N5O5/c29-28(30)15-23(35(16-28)26(39)20(31)13-18-8-10-19(36)11-9-18)25(38)33-21(14-17-5-2-1-3-6-17)27(40)34-12-4-7-22(34)24(32)37/h1-3,5-6,8-11,20-23,36H,4,7,12-16,31H2,(H2,32,37)(H,33,38)/t20-,21-,22-,23+/m0/s1
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>1.00E+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 homogenate by scintillation counting analysis


Bioorg Med Chem 24: 1582-8 (2016)


Article DOI: 10.1016/j.bmc.2016.02.034
BindingDB Entry DOI: 10.7270/Q2Z321H7
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50148256
PNG
(CHEMBL3765790)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CC(F)(F)C[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(N)=O |r|
Show InChI InChI=1S/C28H33F2N5O5/c29-28(30)15-23(35(16-28)26(39)20(31)13-18-8-10-19(36)11-9-18)25(38)33-21(14-17-5-2-1-3-6-17)27(40)34-12-4-7-22(34)24(32)37/h1-3,5-6,8-11,20-23,36H,4,7,12-16,31H2,(H2,32,37)(H,33,38)/t20-,21-,22-,23+/m0/s1
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>1.00E+3n/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 homogenate by scintillation counting analysis


Bioorg Med Chem 24: 1582-8 (2016)


Article DOI: 10.1016/j.bmc.2016.02.034
BindingDB Entry DOI: 10.7270/Q2Z321H7
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50237594
PNG
(CHEMBL4087301)
Show SMILES CN[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)CNC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)N(C)C(=O)CNC1=O)C(N)=O |r|
Show InChI InChI=1S/C44H57N9O9/c1-46-34(22-30-17-19-31(54)20-18-30)42(60)51-32-16-10-11-21-47-37(55)25-33(40(45)58)50-38(56)26-48-43(61)35(23-28-12-6-4-7-13-28)53(3)44(62)36(24-29-14-8-5-9-15-29)52(2)39(57)27-49-41(32)59/h4-9,12-15,17-20,32-36,46,54H,10-11,16,21-27H2,1-3H3,(H2,45,58)(H,47,55)(H,48,61)(H,49,59)(H,50,56)(H,51,60)/t32-,33+,34+,35+,36+/m1/s1
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>1.00E+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 after 180 mins by liquid scintillation counting analysis


Bioorg Med Chem Lett 27: 1644-1648 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.016
BindingDB Entry DOI: 10.7270/Q2BG2R9F
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50166066
PNG
(CHEMBL362991 | H-Tyr-Pro-Phe-Pro-NH2 | MORPHICEPTI...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(N)=O |r|
Show InChI InChI=1S/C28H35N5O5/c29-21(16-19-10-12-20(34)13-11-19)27(37)33-15-5-9-24(33)26(36)31-22(17-18-6-2-1-3-7-18)28(38)32-14-4-8-23(32)25(30)35/h1-3,6-7,10-13,21-24,34H,4-5,8-9,14-17,29H2,(H2,30,35)(H,31,36)/t21-,22-,23-,24-/m0/s1
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>1.00E+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 homogenate by scintillation counting analysis


Bioorg Med Chem 24: 1582-8 (2016)


Article DOI: 10.1016/j.bmc.2016.02.034
BindingDB Entry DOI: 10.7270/Q2Z321H7
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50166066
PNG
(CHEMBL362991 | H-Tyr-Pro-Phe-Pro-NH2 | MORPHICEPTI...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(N)=O |r|
Show InChI InChI=1S/C28H35N5O5/c29-21(16-19-10-12-20(34)13-11-19)27(37)33-15-5-9-24(33)26(36)31-22(17-18-6-2-1-3-7-18)28(38)32-14-4-8-23(32)25(30)35/h1-3,6-7,10-13,21-24,34H,4-5,8-9,14-17,29H2,(H2,30,35)(H,31,36)/t21-,22-,23-,24-/m0/s1
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>1.00E+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 homogenate by scintillation counting analysis


Bioorg Med Chem 24: 1582-8 (2016)


Article DOI: 10.1016/j.bmc.2016.02.034
BindingDB Entry DOI: 10.7270/Q2Z321H7
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50237595
PNG
(CHEMBL4065881)
Show SMILES CN[C@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)CNC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(N)=O |r|
Show InChI InChI=1S/C42H54N8O8/c1-44-33(22-29-17-19-30(51)20-18-29)39(55)47-31-16-10-11-21-45-36(52)25-32(38(43)54)48-41(57)35(24-28-14-8-5-9-15-28)49(2)37(53)26-46-40(56)34(50(3)42(31)58)23-27-12-6-4-7-13-27/h4-9,12-15,17-20,31-35,44,51H,10-11,16,21-26H2,1-3H3,(H2,43,54)(H,45,52)(H,46,56)(H,47,55)(H,48,57)/t31-,32-,33+,34-,35-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Binding affinity towards peroxisome proliferator activated receptor alpha (PPAR alpha)


Bioorg Med Chem Lett 27: 1644-1648 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.016
BindingDB Entry DOI: 10.7270/Q2BG2R9F
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50237596
PNG
(CHEMBL4099423)
Show SMILES CN[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C39H49N7O7/c1-41-31(21-27-16-18-28(47)19-17-27)37(51)43-29-15-9-10-20-42-34(48)24-30(35(40)49)44-38(52)33(23-26-13-7-4-8-14-26)46(2)39(53)32(45-36(29)50)22-25-11-5-3-6-12-25/h3-8,11-14,16-19,29-33,41,47H,9-10,15,20-24H2,1-2H3,(H2,40,49)(H,42,48)(H,43,51)(H,44,52)(H,45,50)/t29-,30+,31+,32+,33+/m1/s1
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>1.00E+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 after 180 mins by liquid scintillation counting analysis


Bioorg Med Chem Lett 27: 1644-1648 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.016
BindingDB Entry DOI: 10.7270/Q2BG2R9F
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50237596
PNG
(CHEMBL4099423)
Show SMILES CN[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C39H49N7O7/c1-41-31(21-27-16-18-28(47)19-17-27)37(51)43-29-15-9-10-20-42-34(48)24-30(35(40)49)44-38(52)33(23-26-13-7-4-8-14-26)46(2)39(53)32(45-36(29)50)22-25-11-5-3-6-12-25/h3-8,11-14,16-19,29-33,41,47H,9-10,15,20-24H2,1-2H3,(H2,40,49)(H,42,48)(H,43,51)(H,44,52)(H,45,50)/t29-,30+,31+,32+,33+/m1/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Binding affinity towards peroxisome proliferator activated receptor alpha (PPAR alpha)


Bioorg Med Chem Lett 27: 1644-1648 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.016
BindingDB Entry DOI: 10.7270/Q2BG2R9F
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50237594
PNG
(CHEMBL4087301)
Show SMILES CN[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)CNC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)N(C)C(=O)CNC1=O)C(N)=O |r|
Show InChI InChI=1S/C44H57N9O9/c1-46-34(22-30-17-19-31(54)20-18-30)42(60)51-32-16-10-11-21-47-37(55)25-33(40(45)58)50-38(56)26-48-43(61)35(23-28-12-6-4-7-13-28)53(3)44(62)36(24-29-14-8-5-9-15-29)52(2)39(57)27-49-41(32)59/h4-9,12-15,17-20,32-36,46,54H,10-11,16,21-27H2,1-3H3,(H2,45,58)(H,47,55)(H,48,61)(H,49,59)(H,50,56)(H,51,60)/t32-,33+,34+,35+,36+/m1/s1
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>1.00E+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 after 180 mins by liquid scintillation counting analysis


Bioorg Med Chem Lett 27: 1644-1648 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.016
BindingDB Entry DOI: 10.7270/Q2BG2R9F
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
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
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))
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
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
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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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
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
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