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Compile Data Set for Download or QSAR

Found 242 hits with Last Name = 'hernandez' and Initial = 'jf'   
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))
BDBM50492487
PNG
(CHEMBL2402937)
Show SMILES CS\C1=N\C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](CN1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O |r,t:2|
Show InChI InChI=1S/C28H36N8O6S/c1-43-28-32-13-21(24(30)39)35-27(42)20(12-16-5-3-2-4-6-16)34-23(38)15-31-26(41)22(14-33-28)36-25(40)19(29)11-17-7-9-18(37)10-8-17/h2-10,19-22,37H,11-15,29H2,1H3,(H2,30,39)(H,31,41)(H,32,33)(H,34,38)(H,35,42)(H,36,40)/t19-,20-,21-,22+/m0/s1
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4.20n/an/an/an/an/an/an/an/a



Universit£ Montpellier 1

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from mu opioid receptor in Wistar rat brain membranes after 45 mins by liquid scintillation counting analysis


J Med Chem 56: 5964-5973 (2013)


Article DOI: 10.1021/jm4008592
BindingDB Entry DOI: 10.7270/Q2571FXF
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50492494
PNG
(CHEMBL2402941)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](CCCNC(=S)NCCC[C@H](NC1=O)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C37H53N9O7S/c1-22(2)18-29-35(52)44-27(32(39)49)10-6-16-40-37(54)41-17-7-11-28(45-33(50)26(38)19-24-12-14-25(47)15-13-24)34(51)42-21-31(48)43-30(36(53)46-29)20-23-8-4-3-5-9-23/h3-5,8-9,12-15,22,26-30,47H,6-7,10-11,16-21,38H2,1-2H3,(H2,39,49)(H,42,51)(H,43,48)(H,44,52)(H,45,50)(H,46,53)(H2,40,41,54)/t26-,27-,28+,29-,30-/m0/s1
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9.10n/an/an/an/an/an/an/an/a



Universit£ Montpellier 1

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from mu opioid receptor in Wistar rat brain membranes after 45 mins by liquid scintillation counting analysis


J Med Chem 56: 5964-5973 (2013)


Article DOI: 10.1021/jm4008592
BindingDB Entry DOI: 10.7270/Q2571FXF
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50492487
PNG
(CHEMBL2402937)
Show SMILES CS\C1=N\C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](CN1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O |r,t:2|
Show InChI InChI=1S/C28H36N8O6S/c1-43-28-32-13-21(24(30)39)35-27(42)20(12-16-5-3-2-4-6-16)34-23(38)15-31-26(41)22(14-33-28)36-25(40)19(29)11-17-7-9-18(37)10-8-17/h2-10,19-22,37H,11-15,29H2,1H3,(H2,30,39)(H,31,41)(H,32,33)(H,34,38)(H,35,42)(H,36,40)/t19-,20-,21-,22+/m0/s1
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11n/an/an/an/an/an/an/an/a



Universit£ Montpellier 1

Curated by ChEMBL


Assay Description
Displacement of [3H]-DIDI from delta opioid receptor in Wistar rat brain membranes after 45 mins by liquid scintillation counting analysis


J Med Chem 56: 5964-5973 (2013)


Article DOI: 10.1021/jm4008592
BindingDB Entry DOI: 10.7270/Q2571FXF
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50492491
PNG
(CHEMBL2402934)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](CCCN\C(=N/CCC[C@H](NC1=O)C(N)=O)N(C)C)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r,c:29|
Show InChI InChI=1S/C39H58N10O7/c1-24(2)20-31-37(55)46-29(34(41)52)12-8-18-42-39(49(3)4)43-19-9-13-30(47-35(53)28(40)21-26-14-16-27(50)17-15-26)36(54)44-23-33(51)45-32(38(56)48-31)22-25-10-6-5-7-11-25/h5-7,10-11,14-17,24,28-32,50H,8-9,12-13,18-23,40H2,1-4H3,(H2,41,52)(H,42,43)(H,44,54)(H,45,51)(H,46,55)(H,47,53)(H,48,56)/t28-,29-,30+,31-,32-/m0/s1
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14n/an/an/an/an/an/an/an/a



Universit£ Montpellier 1

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from mu opioid receptor in Wistar rat brain membranes after 45 mins by liquid scintillation counting analysis


J Med Chem 56: 5964-5973 (2013)


Article DOI: 10.1021/jm4008592
BindingDB Entry DOI: 10.7270/Q2571FXF
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50492484
PNG
(CHEMBL2402933)
Show SMILES C\N=C1\NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](CCCN1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1S/C38H56N10O7/c1-23(2)19-30-36(54)46-28(33(40)51)11-7-17-42-38(41-3)43-18-8-12-29(47-34(52)27(39)20-25-13-15-26(49)16-14-25)35(53)44-22-32(50)45-31(37(55)48-30)21-24-9-5-4-6-10-24/h4-6,9-10,13-16,23,27-31,49H,7-8,11-12,17-22,39H2,1-3H3,(H2,40,51)(H,44,53)(H,45,50)(H,46,54)(H,47,52)(H,48,55)(H2,41,42,43)/t27-,28-,29+,30-,31-/m0/s1
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18n/an/an/an/an/an/an/an/a



Universit£ Montpellier 1

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from mu opioid receptor in Wistar rat brain membranes after 45 mins by liquid scintillation counting analysis


J Med Chem 56: 5964-5973 (2013)


Article DOI: 10.1021/jm4008592
BindingDB Entry DOI: 10.7270/Q2571FXF
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50492482
PNG
(CHEMBL2402932)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](CCCN\C(N)=N/CCC[C@H](NC1=O)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r,c:30|
Show InChI InChI=1S/C37H54N10O7/c1-22(2)18-29-35(53)45-27(32(39)50)10-6-16-41-37(40)42-17-7-11-28(46-33(51)26(38)19-24-12-14-25(48)15-13-24)34(52)43-21-31(49)44-30(36(54)47-29)20-23-8-4-3-5-9-23/h3-5,8-9,12-15,22,26-30,48H,6-7,10-11,16-21,38H2,1-2H3,(H2,39,50)(H,43,52)(H,44,49)(H,45,53)(H,46,51)(H,47,54)(H3,40,41,42)/t26-,27-,28+,29-,30-/m0/s1
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18n/an/an/an/an/an/an/an/a



Universit£ Montpellier 1

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from mu opioid receptor in Wistar rat brain membranes after 45 mins by liquid scintillation counting analysis


J Med Chem 56: 5964-5973 (2013)


Article DOI: 10.1021/jm4008592
BindingDB Entry DOI: 10.7270/Q2571FXF
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50492493
PNG
(CHEMBL2402939)
Show SMILES CN\C1=N\C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](CN1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O |r,t:2|
Show InChI InChI=1S/C28H37N9O6/c1-31-28-33-13-21(24(30)40)36-27(43)20(12-16-5-3-2-4-6-16)35-23(39)15-32-26(42)22(14-34-28)37-25(41)19(29)11-17-7-9-18(38)10-8-17/h2-10,19-22,38H,11-15,29H2,1H3,(H2,30,40)(H,32,42)(H,35,39)(H,36,43)(H,37,41)(H2,31,33,34)/t19-,20-,21-,22+/m0/s1
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19n/an/an/an/an/an/an/an/a



Universit£ Montpellier 1

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from mu opioid receptor in Wistar rat brain membranes after 45 mins by liquid scintillation counting analysis


J Med Chem 56: 5964-5973 (2013)


Article DOI: 10.1021/jm4008592
BindingDB Entry DOI: 10.7270/Q2571FXF
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50492489
PNG
(CHEMBL2402938)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CN\C(N)=N/C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(N)=O |r,c:18|
Show InChI InChI=1S/C27H35N9O6/c28-18(10-16-6-8-17(37)9-7-16)24(40)36-21-13-33-27(30)32-12-20(23(29)39)35-26(42)19(11-15-4-2-1-3-5-15)34-22(38)14-31-25(21)41/h1-9,18-21,37H,10-14,28H2,(H2,29,39)(H,31,41)(H,34,38)(H,35,42)(H,36,40)(H3,30,32,33)/t18-,19-,20-,21+/m0/s1
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19n/an/an/an/an/an/an/an/a



Universit£ Montpellier 1

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from mu opioid receptor in Wistar rat brain membranes after 45 mins by liquid scintillation counting analysis


J Med Chem 56: 5964-5973 (2013)


Article DOI: 10.1021/jm4008592
BindingDB Entry DOI: 10.7270/Q2571FXF
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50492493
PNG
(CHEMBL2402939)
Show SMILES CN\C1=N\C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](CN1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O |r,t:2|
Show InChI InChI=1S/C28H37N9O6/c1-31-28-33-13-21(24(30)40)36-27(43)20(12-16-5-3-2-4-6-16)35-23(39)15-32-26(42)22(14-34-28)37-25(41)19(29)11-17-7-9-18(38)10-8-17/h2-10,19-22,38H,11-15,29H2,1H3,(H2,30,40)(H,32,42)(H,35,39)(H,36,43)(H,37,41)(H2,31,33,34)/t19-,20-,21-,22+/m0/s1
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19n/an/an/an/an/an/an/an/a



Universit£ Montpellier 1

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from mu opioid receptor in Wistar rat brain membranes after 45 mins by liquid scintillation counting analysis


J Med Chem 56: 5964-5973 (2013)


Article DOI: 10.1021/jm4008592
BindingDB Entry DOI: 10.7270/Q2571FXF
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50492492
PNG
(CHEMBL2402931)
Show SMILES CS\C1=N\CCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](CCCN1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O |r,t:2|
Show InChI InChI=1S/C38H55N9O7S/c1-23(2)19-30-36(53)45-28(33(40)50)11-7-17-41-38(55-3)42-18-8-12-29(46-34(51)27(39)20-25-13-15-26(48)16-14-25)35(52)43-22-32(49)44-31(37(54)47-30)21-24-9-5-4-6-10-24/h4-6,9-10,13-16,23,27-31,48H,7-8,11-12,17-22,39H2,1-3H3,(H2,40,50)(H,41,42)(H,43,52)(H,44,49)(H,45,53)(H,46,51)(H,47,54)/t27-,28-,29+,30-,31-/m0/s1
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21n/an/an/an/an/an/an/an/a



Universit£ Montpellier 1

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from mu opioid receptor in Wistar rat brain membranes after 45 mins by liquid scintillation counting analysis


J Med Chem 56: 5964-5973 (2013)


Article DOI: 10.1021/jm4008592
BindingDB Entry DOI: 10.7270/Q2571FXF
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50492483
PNG
(CHEMBL2402940)
Show SMILES CCN\C1=N\C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](CN1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O |r,t:3|
Show InChI InChI=1S/C29H39N9O6/c1-2-32-29-34-14-22(25(31)41)37-28(44)21(13-17-6-4-3-5-7-17)36-24(40)16-33-27(43)23(15-35-29)38-26(42)20(30)12-18-8-10-19(39)11-9-18/h3-11,20-23,39H,2,12-16,30H2,1H3,(H2,31,41)(H,33,43)(H,36,40)(H,37,44)(H,38,42)(H2,32,34,35)/t20-,21-,22-,23+/m0/s1
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21n/an/an/an/an/an/an/an/a



Universit£ Montpellier 1

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from mu opioid receptor in Wistar rat brain membranes after 45 mins by liquid scintillation counting analysis


J Med Chem 56: 5964-5973 (2013)


Article DOI: 10.1021/jm4008592
BindingDB Entry DOI: 10.7270/Q2571FXF
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50492490
PNG
(CHEMBL2402936)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CNC(=S)NC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(N)=O |r|
Show InChI InChI=1S/C27H34N8O6S/c28-18(10-16-6-8-17(36)9-7-16)24(39)35-21-13-32-27(42)31-12-20(23(29)38)34-26(41)19(11-15-4-2-1-3-5-15)33-22(37)14-30-25(21)40/h1-9,18-21,36H,10-14,28H2,(H2,29,38)(H,30,40)(H,33,37)(H,34,41)(H,35,39)(H2,31,32,42)/t18-,19-,20-,21+/m0/s1
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29n/an/an/an/an/an/an/an/a



Universit£ Montpellier 1

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from mu opioid receptor in Wistar rat brain membranes after 45 mins by liquid scintillation counting analysis


J Med Chem 56: 5964-5973 (2013)


Article DOI: 10.1021/jm4008592
BindingDB Entry DOI: 10.7270/Q2571FXF
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50492490
PNG
(CHEMBL2402936)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CNC(=S)NC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(N)=O |r|
Show InChI InChI=1S/C27H34N8O6S/c28-18(10-16-6-8-17(36)9-7-16)24(39)35-21-13-32-27(42)31-12-20(23(29)38)34-26(41)19(11-15-4-2-1-3-5-15)33-22(37)14-30-25(21)40/h1-9,18-21,36H,10-14,28H2,(H2,29,38)(H,30,40)(H,33,37)(H,34,41)(H,35,39)(H2,31,32,42)/t18-,19-,20-,21+/m0/s1
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29n/an/an/an/an/an/an/an/a



Universit£ Montpellier 1

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from mu opioid receptor in Wistar rat brain membranes after 45 mins by liquid scintillation counting analysis


J Med Chem 56: 5964-5973 (2013)


Article DOI: 10.1021/jm4008592
BindingDB Entry DOI: 10.7270/Q2571FXF
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50492490
PNG
(CHEMBL2402936)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CNC(=S)NC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(N)=O |r|
Show InChI InChI=1S/C27H34N8O6S/c28-18(10-16-6-8-17(36)9-7-16)24(39)35-21-13-32-27(42)31-12-20(23(29)38)34-26(41)19(11-15-4-2-1-3-5-15)33-22(37)14-30-25(21)40/h1-9,18-21,36H,10-14,28H2,(H2,29,38)(H,30,40)(H,33,37)(H,34,41)(H,35,39)(H2,31,32,42)/t18-,19-,20-,21+/m0/s1
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54n/an/an/an/an/an/an/an/a



Universit£ Montpellier 1

Curated by ChEMBL


Assay Description
Displacement of [3H]-U69,593 from kappa opioid receptor in guinea pig brain membranes after 2 hrs by liquid scintillation counting analysis


J Med Chem 56: 5964-5973 (2013)


Article DOI: 10.1021/jm4008592
BindingDB Entry DOI: 10.7270/Q2571FXF
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50492485
PNG
(CHEMBL2402928)
Show SMILES CN(C)C1=N/C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](CN\1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O |r,t:3|
Show InChI InChI=1S/C29H39N9O6/c1-38(2)29-33-14-22(25(31)41)36-28(44)21(13-17-6-4-3-5-7-17)35-24(40)16-32-27(43)23(15-34-29)37-26(42)20(30)12-18-8-10-19(39)11-9-18/h3-11,20-23,39H,12-16,30H2,1-2H3,(H2,31,41)(H,32,43)(H,33,34)(H,35,40)(H,36,44)(H,37,42)/t20-,21-,22-,23+/m0/s1
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57n/an/an/an/an/an/an/an/a



Universit£ Montpellier 1

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from mu opioid receptor in Wistar rat brain membranes after 45 mins by liquid scintillation counting analysis


J Med Chem 56: 5964-5973 (2013)


Article DOI: 10.1021/jm4008592
BindingDB Entry DOI: 10.7270/Q2571FXF
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50492494
PNG
(CHEMBL2402941)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](CCCNC(=S)NCCC[C@H](NC1=O)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C37H53N9O7S/c1-22(2)18-29-35(52)44-27(32(39)49)10-6-16-40-37(54)41-17-7-11-28(45-33(50)26(38)19-24-12-14-25(47)15-13-24)34(51)42-21-31(48)43-30(36(53)46-29)20-23-8-4-3-5-9-23/h3-5,8-9,12-15,22,26-30,47H,6-7,10-11,16-21,38H2,1-2H3,(H2,39,49)(H,42,51)(H,43,48)(H,44,52)(H,45,50)(H,46,53)(H2,40,41,54)/t26-,27-,28+,29-,30-/m0/s1
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76n/an/an/an/an/an/an/an/a



Universit£ Montpellier 1

Curated by ChEMBL


Assay Description
Displacement of [3H]-DIDI from delta opioid receptor in Wistar rat brain membranes after 45 mins by liquid scintillation counting analysis


J Med Chem 56: 5964-5973 (2013)


Article DOI: 10.1021/jm4008592
BindingDB Entry DOI: 10.7270/Q2571FXF
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50492482
PNG
(CHEMBL2402932)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](CCCN\C(N)=N/CCC[C@H](NC1=O)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r,c:30|
Show InChI InChI=1S/C37H54N10O7/c1-22(2)18-29-35(53)45-27(32(39)50)10-6-16-41-37(40)42-17-7-11-28(46-33(51)26(38)19-24-12-14-25(48)15-13-24)34(52)43-21-31(49)44-30(36(54)47-29)20-23-8-4-3-5-9-23/h3-5,8-9,12-15,22,26-30,48H,6-7,10-11,16-21,38H2,1-2H3,(H2,39,50)(H,43,52)(H,44,49)(H,45,53)(H,46,51)(H,47,54)(H3,40,41,42)/t26-,27-,28+,29-,30-/m0/s1
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108n/an/an/an/an/an/an/an/a



Universit£ Montpellier 1

Curated by ChEMBL


Assay Description
Displacement of [3H]-DIDI from delta opioid receptor in Wistar rat brain membranes after 45 mins by liquid scintillation counting analysis


J Med Chem 56: 5964-5973 (2013)


Article DOI: 10.1021/jm4008592
BindingDB Entry DOI: 10.7270/Q2571FXF
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50492491
PNG
(CHEMBL2402934)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](CCCN\C(=N/CCC[C@H](NC1=O)C(N)=O)N(C)C)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r,c:29|
Show InChI InChI=1S/C39H58N10O7/c1-24(2)20-31-37(55)46-29(34(41)52)12-8-18-42-39(49(3)4)43-19-9-13-30(47-35(53)28(40)21-26-14-16-27(50)17-15-26)36(54)44-23-33(51)45-32(38(56)48-31)22-25-10-6-5-7-11-25/h5-7,10-11,14-17,24,28-32,50H,8-9,12-13,18-23,40H2,1-4H3,(H2,41,52)(H,42,43)(H,44,54)(H,45,51)(H,46,55)(H,47,53)(H,48,56)/t28-,29-,30+,31-,32-/m0/s1
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146n/an/an/an/an/an/an/an/a



Universit£ Montpellier 1

Curated by ChEMBL


Assay Description
Displacement of [3H]-DIDI from delta opioid receptor in Wistar rat brain membranes after 45 mins by liquid scintillation counting analysis


J Med Chem 56: 5964-5973 (2013)


Article DOI: 10.1021/jm4008592
BindingDB Entry DOI: 10.7270/Q2571FXF
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50492495
PNG
(CHEMBL2402935)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](CCCN\C(=N/CCC[C@H](NC1=O)C(N)=O)N1CCCC1)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r,c:29|
Show InChI InChI=1S/C41H60N10O7/c1-26(2)22-33-39(57)48-31(36(43)54)12-8-18-44-41(51-20-6-7-21-51)45-19-9-13-32(49-37(55)30(42)23-28-14-16-29(52)17-15-28)38(56)46-25-35(53)47-34(40(58)50-33)24-27-10-4-3-5-11-27/h3-5,10-11,14-17,26,30-34,52H,6-9,12-13,18-25,42H2,1-2H3,(H2,43,54)(H,44,45)(H,46,56)(H,47,53)(H,48,57)(H,49,55)(H,50,58)/t30-,31-,32+,33-,34-/m0/s1
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175n/an/an/an/an/an/an/an/a



Universit£ Montpellier 1

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from mu opioid receptor in Wistar rat brain membranes after 45 mins by liquid scintillation counting analysis


J Med Chem 56: 5964-5973 (2013)


Article DOI: 10.1021/jm4008592
BindingDB Entry DOI: 10.7270/Q2571FXF
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50492484
PNG
(CHEMBL2402933)
Show SMILES C\N=C1\NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](CCCN1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1S/C38H56N10O7/c1-23(2)19-30-36(54)46-28(33(40)51)11-7-17-42-38(41-3)43-18-8-12-29(47-34(52)27(39)20-25-13-15-26(49)16-14-25)35(53)44-22-32(50)45-31(37(55)48-30)21-24-9-5-4-6-10-24/h4-6,9-10,13-16,23,27-31,49H,7-8,11-12,17-22,39H2,1-3H3,(H2,40,51)(H,44,53)(H,45,50)(H,46,54)(H,47,52)(H,48,55)(H2,41,42,43)/t27-,28-,29+,30-,31-/m0/s1
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185n/an/an/an/an/an/an/an/a



Universit£ Montpellier 1

Curated by ChEMBL


Assay Description
Displacement of [3H]-DIDI from delta opioid receptor in Wistar rat brain membranes after 45 mins by liquid scintillation counting analysis


J Med Chem 56: 5964-5973 (2013)


Article DOI: 10.1021/jm4008592
BindingDB Entry DOI: 10.7270/Q2571FXF
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50492492
PNG
(CHEMBL2402931)
Show SMILES CS\C1=N\CCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](CCCN1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O |r,t:2|
Show InChI InChI=1S/C38H55N9O7S/c1-23(2)19-30-36(53)45-28(33(40)50)11-7-17-41-38(55-3)42-18-8-12-29(46-34(51)27(39)20-25-13-15-26(48)16-14-25)35(52)43-22-32(49)44-31(37(54)47-30)21-24-9-5-4-6-10-24/h4-6,9-10,13-16,23,27-31,48H,7-8,11-12,17-22,39H2,1-3H3,(H2,40,50)(H,41,42)(H,43,52)(H,44,49)(H,45,53)(H,46,51)(H,47,54)/t27-,28-,29+,30-,31-/m0/s1
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191n/an/an/an/an/an/an/an/a



Universit£ Montpellier 1

Curated by ChEMBL


Assay Description
Displacement of [3H]-DIDI from delta opioid receptor in Wistar rat brain membranes after 45 mins by liquid scintillation counting analysis


J Med Chem 56: 5964-5973 (2013)


Article DOI: 10.1021/jm4008592
BindingDB Entry DOI: 10.7270/Q2571FXF
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50492493
PNG
(CHEMBL2402939)
Show SMILES CN\C1=N\C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](CN1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O |r,t:2|
Show InChI InChI=1S/C28H37N9O6/c1-31-28-33-13-21(24(30)40)36-27(43)20(12-16-5-3-2-4-6-16)35-23(39)15-32-26(42)22(14-34-28)37-25(41)19(29)11-17-7-9-18(38)10-8-17/h2-10,19-22,38H,11-15,29H2,1H3,(H2,30,40)(H,32,42)(H,35,39)(H,36,43)(H,37,41)(H2,31,33,34)/t19-,20-,21-,22+/m0/s1
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245n/an/an/an/an/an/an/an/a



Universit£ Montpellier 1

Curated by ChEMBL


Assay Description
Displacement of [3H]-DIDI from delta opioid receptor in Wistar rat brain membranes after 45 mins by liquid scintillation counting analysis


J Med Chem 56: 5964-5973 (2013)


Article DOI: 10.1021/jm4008592
BindingDB Entry DOI: 10.7270/Q2571FXF
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50492493
PNG
(CHEMBL2402939)
Show SMILES CN\C1=N\C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](CN1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O |r,t:2|
Show InChI InChI=1S/C28H37N9O6/c1-31-28-33-13-21(24(30)40)36-27(43)20(12-16-5-3-2-4-6-16)35-23(39)15-32-26(42)22(14-34-28)37-25(41)19(29)11-17-7-9-18(38)10-8-17/h2-10,19-22,38H,11-15,29H2,1H3,(H2,30,40)(H,32,42)(H,35,39)(H,36,43)(H,37,41)(H2,31,33,34)/t19-,20-,21-,22+/m0/s1
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245n/an/an/an/an/an/an/an/a



Universit£ Montpellier 1

Curated by ChEMBL


Assay Description
Displacement of [3H]-DIDI from delta opioid receptor in Wistar rat brain membranes after 45 mins by liquid scintillation counting analysis


J Med Chem 56: 5964-5973 (2013)


Article DOI: 10.1021/jm4008592
BindingDB Entry DOI: 10.7270/Q2571FXF
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50492483
PNG
(CHEMBL2402940)
Show SMILES CCN\C1=N\C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](CN1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O |r,t:3|
Show InChI InChI=1S/C29H39N9O6/c1-2-32-29-34-14-22(25(31)41)37-28(44)21(13-17-6-4-3-5-7-17)36-24(40)16-33-27(43)23(15-35-29)38-26(42)20(30)12-18-8-10-19(39)11-9-18/h3-11,20-23,39H,2,12-16,30H2,1H3,(H2,31,41)(H,33,43)(H,36,40)(H,37,44)(H,38,42)(H2,32,34,35)/t20-,21-,22-,23+/m0/s1
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263n/an/an/an/an/an/an/an/a



Universit£ Montpellier 1

Curated by ChEMBL


Assay Description
Displacement of [3H]-DIDI from delta opioid receptor in Wistar rat brain membranes after 45 mins by liquid scintillation counting analysis


J Med Chem 56: 5964-5973 (2013)


Article DOI: 10.1021/jm4008592
BindingDB Entry DOI: 10.7270/Q2571FXF
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50492488
PNG
(CHEMBL2402929)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CN\C(=N/C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(N)=O)N1CCCC1 |r,c:17|
Show InChI InChI=1S/C31H41N9O6/c32-22(14-20-8-10-21(41)11-9-20)28(44)39-25-17-36-31(40-12-4-5-13-40)35-16-24(27(33)43)38-30(46)23(15-19-6-2-1-3-7-19)37-26(42)18-34-29(25)45/h1-3,6-11,22-25,41H,4-5,12-18,32H2,(H2,33,43)(H,34,45)(H,35,36)(H,37,42)(H,38,46)(H,39,44)/t22-,23-,24-,25+/m0/s1
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288n/an/an/an/an/an/an/an/a



Universit£ Montpellier 1

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from mu opioid receptor in Wistar rat brain membranes after 45 mins by liquid scintillation counting analysis


J Med Chem 56: 5964-5973 (2013)


Article DOI: 10.1021/jm4008592
BindingDB Entry DOI: 10.7270/Q2571FXF
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50492489
PNG
(CHEMBL2402938)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CN\C(N)=N/C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(N)=O |r,c:18|
Show InChI InChI=1S/C27H35N9O6/c28-18(10-16-6-8-17(37)9-7-16)24(40)36-21-13-33-27(30)32-12-20(23(29)39)35-26(42)19(11-15-4-2-1-3-5-15)34-22(38)14-31-25(21)41/h1-9,18-21,37H,10-14,28H2,(H2,29,39)(H,31,41)(H,34,38)(H,35,42)(H,36,40)(H3,30,32,33)/t18-,19-,20-,21+/m0/s1
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>300n/an/an/an/an/an/an/an/a



Universit£ Montpellier 1

Curated by ChEMBL


Assay Description
Displacement of [3H]-U69,593 from kappa opioid receptor in guinea pig brain membranes after 2 hrs by liquid scintillation counting analysis


J Med Chem 56: 5964-5973 (2013)


Article DOI: 10.1021/jm4008592
BindingDB Entry DOI: 10.7270/Q2571FXF
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50492484
PNG
(CHEMBL2402933)
Show SMILES C\N=C1\NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](CCCN1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1S/C38H56N10O7/c1-23(2)19-30-36(54)46-28(33(40)51)11-7-17-42-38(41-3)43-18-8-12-29(47-34(52)27(39)20-25-13-15-26(49)16-14-25)35(53)44-22-32(50)45-31(37(55)48-30)21-24-9-5-4-6-10-24/h4-6,9-10,13-16,23,27-31,49H,7-8,11-12,17-22,39H2,1-3H3,(H2,40,51)(H,44,53)(H,45,50)(H,46,54)(H,47,52)(H,48,55)(H2,41,42,43)/t27-,28-,29+,30-,31-/m0/s1
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>300n/an/an/an/an/an/an/an/a



Universit£ Montpellier 1

Curated by ChEMBL


Assay Description
Displacement of [3H]-U69,593 from kappa opioid receptor in guinea pig brain membranes after 2 hrs by liquid scintillation counting analysis


J Med Chem 56: 5964-5973 (2013)


Article DOI: 10.1021/jm4008592
BindingDB Entry DOI: 10.7270/Q2571FXF
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50492490
PNG
(CHEMBL2402936)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CNC(=S)NC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(N)=O |r|
Show InChI InChI=1S/C27H34N8O6S/c28-18(10-16-6-8-17(36)9-7-16)24(39)35-21-13-32-27(42)31-12-20(23(29)38)34-26(41)19(11-15-4-2-1-3-5-15)33-22(37)14-30-25(21)40/h1-9,18-21,36H,10-14,28H2,(H2,29,38)(H,30,40)(H,33,37)(H,34,41)(H,35,39)(H2,31,32,42)/t18-,19-,20-,21+/m0/s1
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304n/an/an/an/an/an/an/an/a



Universit£ Montpellier 1

Curated by ChEMBL


Assay Description
Displacement of [3H]-DIDI from delta opioid receptor in Wistar rat brain membranes after 45 mins by liquid scintillation counting analysis


J Med Chem 56: 5964-5973 (2013)


Article DOI: 10.1021/jm4008592
BindingDB Entry DOI: 10.7270/Q2571FXF
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50492490
PNG
(CHEMBL2402936)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CNC(=S)NC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(N)=O |r|
Show InChI InChI=1S/C27H34N8O6S/c28-18(10-16-6-8-17(36)9-7-16)24(39)35-21-13-32-27(42)31-12-20(23(29)38)34-26(41)19(11-15-4-2-1-3-5-15)33-22(37)14-30-25(21)40/h1-9,18-21,36H,10-14,28H2,(H2,29,38)(H,30,40)(H,33,37)(H,34,41)(H,35,39)(H2,31,32,42)/t18-,19-,20-,21+/m0/s1
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304n/an/an/an/an/an/an/an/a



Universit£ Montpellier 1

Curated by ChEMBL


Assay Description
Displacement of [3H]-DIDI from delta opioid receptor in Wistar rat brain membranes after 45 mins by liquid scintillation counting analysis


J Med Chem 56: 5964-5973 (2013)


Article DOI: 10.1021/jm4008592
BindingDB Entry DOI: 10.7270/Q2571FXF
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50492486
PNG
(CHEMBL2402930)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CN\C(=N/C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(N)=O)N1CCCCC1 |r,c:17|
Show InChI InChI=1S/C32H43N9O6/c33-23(15-21-9-11-22(42)12-10-21)29(45)40-26-18-37-32(41-13-5-2-6-14-41)36-17-25(28(34)44)39-31(47)24(16-20-7-3-1-4-8-20)38-27(43)19-35-30(26)46/h1,3-4,7-12,23-26,42H,2,5-6,13-19,33H2,(H2,34,44)(H,35,46)(H,36,37)(H,38,43)(H,39,47)(H,40,45)/t23-,24-,25-,26+/m0/s1
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341n/an/an/an/an/an/an/an/a



Universit£ Montpellier 1

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from mu opioid receptor in Wistar rat brain membranes after 45 mins by liquid scintillation counting analysis


J Med Chem 56: 5964-5973 (2013)


Article DOI: 10.1021/jm4008592
BindingDB Entry DOI: 10.7270/Q2571FXF
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50492488
PNG
(CHEMBL2402929)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CN\C(=N/C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(N)=O)N1CCCC1 |r,c:17|
Show InChI InChI=1S/C31H41N9O6/c32-22(14-20-8-10-21(41)11-9-20)28(44)39-25-17-36-31(40-12-4-5-13-40)35-16-24(27(33)43)38-30(46)23(15-19-6-2-1-3-7-19)37-26(42)18-34-29(25)45/h1-3,6-11,22-25,41H,4-5,12-18,32H2,(H2,33,43)(H,34,45)(H,35,36)(H,37,42)(H,38,46)(H,39,44)/t22-,23-,24-,25+/m0/s1
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351n/an/an/an/an/an/an/an/a



Universit£ Montpellier 1

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from mu opioid receptor in Wistar rat brain membranes after 45 mins by liquid scintillation counting analysis


J Med Chem 56: 5964-5973 (2013)


Article DOI: 10.1021/jm4008592
BindingDB Entry DOI: 10.7270/Q2571FXF
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50492488
PNG
(CHEMBL2402929)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CN\C(=N/C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(N)=O)N1CCCC1 |r,c:17|
Show InChI InChI=1S/C31H41N9O6/c32-22(14-20-8-10-21(41)11-9-20)28(44)39-25-17-36-31(40-12-4-5-13-40)35-16-24(27(33)43)38-30(46)23(15-19-6-2-1-3-7-19)37-26(42)18-34-29(25)45/h1-3,6-11,22-25,41H,4-5,12-18,32H2,(H2,33,43)(H,34,45)(H,35,36)(H,37,42)(H,38,46)(H,39,44)/t22-,23-,24-,25+/m0/s1
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351n/an/an/an/an/an/an/an/a



Universit£ Montpellier 1

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from mu opioid receptor in Wistar rat brain membranes after 45 mins by liquid scintillation counting analysis


J Med Chem 56: 5964-5973 (2013)


Article DOI: 10.1021/jm4008592
BindingDB Entry DOI: 10.7270/Q2571FXF
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50492491
PNG
(CHEMBL2402934)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](CCCN\C(=N/CCC[C@H](NC1=O)C(N)=O)N(C)C)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r,c:29|
Show InChI InChI=1S/C39H58N10O7/c1-24(2)20-31-37(55)46-29(34(41)52)12-8-18-42-39(49(3)4)43-19-9-13-30(47-35(53)28(40)21-26-14-16-27(50)17-15-26)36(54)44-23-33(51)45-32(38(56)48-31)22-25-10-6-5-7-11-25/h5-7,10-11,14-17,24,28-32,50H,8-9,12-13,18-23,40H2,1-4H3,(H2,41,52)(H,42,43)(H,44,54)(H,45,51)(H,46,55)(H,47,53)(H,48,56)/t28-,29-,30+,31-,32-/m0/s1
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>500n/an/an/an/an/an/an/an/a



Universit£ Montpellier 1

Curated by ChEMBL


Assay Description
Displacement of [3H]-U69,593 from kappa opioid receptor in guinea pig brain membranes after 2 hrs by liquid scintillation counting analysis


J Med Chem 56: 5964-5973 (2013)


Article DOI: 10.1021/jm4008592
BindingDB Entry DOI: 10.7270/Q2571FXF
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50492488
PNG
(CHEMBL2402929)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CN\C(=N/C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(N)=O)N1CCCC1 |r,c:17|
Show InChI InChI=1S/C31H41N9O6/c32-22(14-20-8-10-21(41)11-9-20)28(44)39-25-17-36-31(40-12-4-5-13-40)35-16-24(27(33)43)38-30(46)23(15-19-6-2-1-3-7-19)37-26(42)18-34-29(25)45/h1-3,6-11,22-25,41H,4-5,12-18,32H2,(H2,33,43)(H,34,45)(H,35,36)(H,37,42)(H,38,46)(H,39,44)/t22-,23-,24-,25+/m0/s1
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>500n/an/an/an/an/an/an/an/a



Universit£ Montpellier 1

Curated by ChEMBL


Assay Description
Displacement of [3H]-U69,593 from kappa opioid receptor in guinea pig brain membranes after 2 hrs by liquid scintillation counting analysis


J Med Chem 56: 5964-5973 (2013)


Article DOI: 10.1021/jm4008592
BindingDB Entry DOI: 10.7270/Q2571FXF
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50492482
PNG
(CHEMBL2402932)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](CCCN\C(N)=N/CCC[C@H](NC1=O)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r,c:30|
Show InChI InChI=1S/C37H54N10O7/c1-22(2)18-29-35(53)45-27(32(39)50)10-6-16-41-37(40)42-17-7-11-28(46-33(51)26(38)19-24-12-14-25(48)15-13-24)34(52)43-21-31(49)44-30(36(54)47-29)20-23-8-4-3-5-9-23/h3-5,8-9,12-15,22,26-30,48H,6-7,10-11,16-21,38H2,1-2H3,(H2,39,50)(H,43,52)(H,44,49)(H,45,53)(H,46,51)(H,47,54)(H3,40,41,42)/t26-,27-,28+,29-,30-/m0/s1
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>500n/an/an/an/an/an/an/an/a



Universit£ Montpellier 1

Curated by ChEMBL


Assay Description
Displacement of [3H]-U69,593 from kappa opioid receptor in guinea pig brain membranes after 2 hrs by liquid scintillation counting analysis


J Med Chem 56: 5964-5973 (2013)


Article DOI: 10.1021/jm4008592
BindingDB Entry DOI: 10.7270/Q2571FXF
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50492485
PNG
(CHEMBL2402928)
Show SMILES CN(C)C1=N/C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](CN\1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O |r,t:3|
Show InChI InChI=1S/C29H39N9O6/c1-38(2)29-33-14-22(25(31)41)36-28(44)21(13-17-6-4-3-5-7-17)35-24(40)16-32-27(43)23(15-34-29)37-26(42)20(30)12-18-8-10-19(39)11-9-18/h3-11,20-23,39H,12-16,30H2,1-2H3,(H2,31,41)(H,32,43)(H,33,34)(H,35,40)(H,36,44)(H,37,42)/t20-,21-,22-,23+/m0/s1
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>500n/an/an/an/an/an/an/an/a



Universit£ Montpellier 1

Curated by ChEMBL


Assay Description
Displacement of [3H]-U69,593 from kappa opioid receptor in guinea pig brain membranes after 2 hrs by liquid scintillation counting analysis


J Med Chem 56: 5964-5973 (2013)


Article DOI: 10.1021/jm4008592
BindingDB Entry DOI: 10.7270/Q2571FXF
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50492488
PNG
(CHEMBL2402929)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CN\C(=N/C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(N)=O)N1CCCC1 |r,c:17|
Show InChI InChI=1S/C31H41N9O6/c32-22(14-20-8-10-21(41)11-9-20)28(44)39-25-17-36-31(40-12-4-5-13-40)35-16-24(27(33)43)38-30(46)23(15-19-6-2-1-3-7-19)37-26(42)18-34-29(25)45/h1-3,6-11,22-25,41H,4-5,12-18,32H2,(H2,33,43)(H,34,45)(H,35,36)(H,37,42)(H,38,46)(H,39,44)/t22-,23-,24-,25+/m0/s1
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>500n/an/an/an/an/an/an/an/a



Universit£ Montpellier 1

Curated by ChEMBL


Assay Description
Displacement of [3H]-U69,593 from kappa opioid receptor in guinea pig brain membranes after 2 hrs by liquid scintillation counting analysis


J Med Chem 56: 5964-5973 (2013)


Article DOI: 10.1021/jm4008592
BindingDB Entry DOI: 10.7270/Q2571FXF
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50492488
PNG
(CHEMBL2402929)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CN\C(=N/C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(N)=O)N1CCCC1 |r,c:17|
Show InChI InChI=1S/C31H41N9O6/c32-22(14-20-8-10-21(41)11-9-20)28(44)39-25-17-36-31(40-12-4-5-13-40)35-16-24(27(33)43)38-30(46)23(15-19-6-2-1-3-7-19)37-26(42)18-34-29(25)45/h1-3,6-11,22-25,41H,4-5,12-18,32H2,(H2,33,43)(H,34,45)(H,35,36)(H,37,42)(H,38,46)(H,39,44)/t22-,23-,24-,25+/m0/s1
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>500n/an/an/an/an/an/an/an/a



Universit£ Montpellier 1

Curated by ChEMBL


Assay Description
Displacement of [3H]-U69,593 from kappa opioid receptor in guinea pig brain membranes after 2 hrs by liquid scintillation counting analysis


J Med Chem 56: 5964-5973 (2013)


Article DOI: 10.1021/jm4008592
BindingDB Entry DOI: 10.7270/Q2571FXF
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50492493
PNG
(CHEMBL2402939)
Show SMILES CN\C1=N\C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](CN1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O |r,t:2|
Show InChI InChI=1S/C28H37N9O6/c1-31-28-33-13-21(24(30)40)36-27(43)20(12-16-5-3-2-4-6-16)35-23(39)15-32-26(42)22(14-34-28)37-25(41)19(29)11-17-7-9-18(38)10-8-17/h2-10,19-22,38H,11-15,29H2,1H3,(H2,30,40)(H,32,42)(H,35,39)(H,36,43)(H,37,41)(H2,31,33,34)/t19-,20-,21-,22+/m0/s1
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>500n/an/an/an/an/an/an/an/a



Universit£ Montpellier 1

Curated by ChEMBL


Assay Description
Displacement of [3H]-U69,593 from kappa opioid receptor in guinea pig brain membranes after 2 hrs by liquid scintillation counting analysis


J Med Chem 56: 5964-5973 (2013)


Article DOI: 10.1021/jm4008592
BindingDB Entry DOI: 10.7270/Q2571FXF
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50492495
PNG
(CHEMBL2402935)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](CCCN\C(=N/CCC[C@H](NC1=O)C(N)=O)N1CCCC1)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r,c:29|
Show InChI InChI=1S/C41H60N10O7/c1-26(2)22-33-39(57)48-31(36(43)54)12-8-18-44-41(51-20-6-7-21-51)45-19-9-13-32(49-37(55)30(42)23-28-14-16-29(52)17-15-28)38(56)46-25-35(53)47-34(40(58)50-33)24-27-10-4-3-5-11-27/h3-5,10-11,14-17,26,30-34,52H,6-9,12-13,18-25,42H2,1-2H3,(H2,43,54)(H,44,45)(H,46,56)(H,47,53)(H,48,57)(H,49,55)(H,50,58)/t30-,31-,32+,33-,34-/m0/s1
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628n/an/an/an/an/an/an/an/a



Universit£ Montpellier 1

Curated by ChEMBL


Assay Description
Displacement of [3H]-DIDI from delta opioid receptor in Wistar rat brain membranes after 45 mins by liquid scintillation counting analysis


J Med Chem 56: 5964-5973 (2013)


Article DOI: 10.1021/jm4008592
BindingDB Entry DOI: 10.7270/Q2571FXF
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50492486
PNG
(CHEMBL2402930)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CN\C(=N/C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(N)=O)N1CCCCC1 |r,c:17|
Show InChI InChI=1S/C32H43N9O6/c33-23(15-21-9-11-22(42)12-10-21)29(45)40-26-18-37-32(41-13-5-2-6-14-41)36-17-25(28(34)44)39-31(47)24(16-20-7-3-1-4-8-20)38-27(43)19-35-30(26)46/h1,3-4,7-12,23-26,42H,2,5-6,13-19,33H2,(H2,34,44)(H,35,46)(H,36,37)(H,38,43)(H,39,47)(H,40,45)/t23-,24-,25-,26+/m0/s1
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637n/an/an/an/an/an/an/an/a



Universit£ Montpellier 1

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from mu opioid receptor in Wistar rat brain membranes after 45 mins by liquid scintillation counting analysis


J Med Chem 56: 5964-5973 (2013)


Article DOI: 10.1021/jm4008592
BindingDB Entry DOI: 10.7270/Q2571FXF
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50492486
PNG
(CHEMBL2402930)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CN\C(=N/C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(N)=O)N1CCCCC1 |r,c:17|
Show InChI InChI=1S/C32H43N9O6/c33-23(15-21-9-11-22(42)12-10-21)29(45)40-26-18-37-32(41-13-5-2-6-14-41)36-17-25(28(34)44)39-31(47)24(16-20-7-3-1-4-8-20)38-27(43)19-35-30(26)46/h1,3-4,7-12,23-26,42H,2,5-6,13-19,33H2,(H2,34,44)(H,35,46)(H,36,37)(H,38,43)(H,39,47)(H,40,45)/t23-,24-,25-,26+/m0/s1
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637n/an/an/an/an/an/an/an/a



Universit£ Montpellier 1

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from mu opioid receptor in Wistar rat brain membranes after 45 mins by liquid scintillation counting analysis


J Med Chem 56: 5964-5973 (2013)


Article DOI: 10.1021/jm4008592
BindingDB Entry DOI: 10.7270/Q2571FXF
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50492485
PNG
(CHEMBL2402928)
Show SMILES CN(C)C1=N/C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](CN\1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O |r,t:3|
Show InChI InChI=1S/C29H39N9O6/c1-38(2)29-33-14-22(25(31)41)36-28(44)21(13-17-6-4-3-5-7-17)35-24(40)16-32-27(43)23(15-34-29)37-26(42)20(30)12-18-8-10-19(39)11-9-18/h3-11,20-23,39H,12-16,30H2,1-2H3,(H2,31,41)(H,32,43)(H,33,34)(H,35,40)(H,36,44)(H,37,42)/t20-,21-,22-,23+/m0/s1
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738n/an/an/an/an/an/an/an/a



Universit£ Montpellier 1

Curated by ChEMBL


Assay Description
Displacement of [3H]-DIDI from delta opioid receptor in Wistar rat brain membranes after 45 mins by liquid scintillation counting analysis


J Med Chem 56: 5964-5973 (2013)


Article DOI: 10.1021/jm4008592
BindingDB Entry DOI: 10.7270/Q2571FXF
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50492489
PNG
(CHEMBL2402938)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CN\C(N)=N/C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(N)=O |r,c:18|
Show InChI InChI=1S/C27H35N9O6/c28-18(10-16-6-8-17(37)9-7-16)24(40)36-21-13-33-27(30)32-12-20(23(29)39)35-26(42)19(11-15-4-2-1-3-5-15)34-22(38)14-31-25(21)41/h1-9,18-21,37H,10-14,28H2,(H2,29,39)(H,31,41)(H,34,38)(H,35,42)(H,36,40)(H3,30,32,33)/t18-,19-,20-,21+/m0/s1
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739n/an/an/an/an/an/an/an/a



Universit£ Montpellier 1

Curated by ChEMBL


Assay Description
Displacement of [3H]-DIDI from delta opioid receptor in Wistar rat brain membranes after 45 mins by liquid scintillation counting analysis


J Med Chem 56: 5964-5973 (2013)


Article DOI: 10.1021/jm4008592
BindingDB Entry DOI: 10.7270/Q2571FXF
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50492488
PNG
(CHEMBL2402929)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CN\C(=N/C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(N)=O)N1CCCC1 |r,c:17|
Show InChI InChI=1S/C31H41N9O6/c32-22(14-20-8-10-21(41)11-9-20)28(44)39-25-17-36-31(40-12-4-5-13-40)35-16-24(27(33)43)38-30(46)23(15-19-6-2-1-3-7-19)37-26(42)18-34-29(25)45/h1-3,6-11,22-25,41H,4-5,12-18,32H2,(H2,33,43)(H,34,45)(H,35,36)(H,37,42)(H,38,46)(H,39,44)/t22-,23-,24-,25+/m0/s1
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1.64E+3n/an/an/an/an/an/an/an/a



Universit£ Montpellier 1

Curated by ChEMBL


Assay Description
Displacement of [3H]-DIDI from delta opioid receptor in Wistar rat brain membranes after 45 mins by liquid scintillation counting analysis


J Med Chem 56: 5964-5973 (2013)


Article DOI: 10.1021/jm4008592
BindingDB Entry DOI: 10.7270/Q2571FXF
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50492488
PNG
(CHEMBL2402929)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CN\C(=N/C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(N)=O)N1CCCC1 |r,c:17|
Show InChI InChI=1S/C31H41N9O6/c32-22(14-20-8-10-21(41)11-9-20)28(44)39-25-17-36-31(40-12-4-5-13-40)35-16-24(27(33)43)38-30(46)23(15-19-6-2-1-3-7-19)37-26(42)18-34-29(25)45/h1-3,6-11,22-25,41H,4-5,12-18,32H2,(H2,33,43)(H,34,45)(H,35,36)(H,37,42)(H,38,46)(H,39,44)/t22-,23-,24-,25+/m0/s1
PDB

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2.88E+3n/an/an/an/an/an/an/an/a



Universit£ Montpellier 1

Curated by ChEMBL


Assay Description
Displacement of [3H]-DIDI from delta opioid receptor in Wistar rat brain membranes after 45 mins by liquid scintillation counting analysis


J Med Chem 56: 5964-5973 (2013)


Article DOI: 10.1021/jm4008592
BindingDB Entry DOI: 10.7270/Q2571FXF
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50492488
PNG
(CHEMBL2402929)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CN\C(=N/C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(N)=O)N1CCCC1 |r,c:17|
Show InChI InChI=1S/C31H41N9O6/c32-22(14-20-8-10-21(41)11-9-20)28(44)39-25-17-36-31(40-12-4-5-13-40)35-16-24(27(33)43)38-30(46)23(15-19-6-2-1-3-7-19)37-26(42)18-34-29(25)45/h1-3,6-11,22-25,41H,4-5,12-18,32H2,(H2,33,43)(H,34,45)(H,35,36)(H,37,42)(H,38,46)(H,39,44)/t22-,23-,24-,25+/m0/s1
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2.88E+3n/an/an/an/an/an/an/an/a



Universit£ Montpellier 1

Curated by ChEMBL


Assay Description
Displacement of [3H]-DIDI from delta opioid receptor in Wistar rat brain membranes after 45 mins by liquid scintillation counting analysis


J Med Chem 56: 5964-5973 (2013)


Article DOI: 10.1021/jm4008592
BindingDB Entry DOI: 10.7270/Q2571FXF
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50492486
PNG
(CHEMBL2402930)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CN\C(=N/C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(N)=O)N1CCCCC1 |r,c:17|
Show InChI InChI=1S/C32H43N9O6/c33-23(15-21-9-11-22(42)12-10-21)29(45)40-26-18-37-32(41-13-5-2-6-14-41)36-17-25(28(34)44)39-31(47)24(16-20-7-3-1-4-8-20)38-27(43)19-35-30(26)46/h1,3-4,7-12,23-26,42H,2,5-6,13-19,33H2,(H2,34,44)(H,35,46)(H,36,37)(H,38,43)(H,39,47)(H,40,45)/t23-,24-,25-,26+/m0/s1
PDB

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3.50E+3n/an/an/an/an/an/an/an/a



Universit£ Montpellier 1

Curated by ChEMBL


Assay Description
Displacement of [3H]-DIDI from delta opioid receptor in Wistar rat brain membranes after 45 mins by liquid scintillation counting analysis


J Med Chem 56: 5964-5973 (2013)


Article DOI: 10.1021/jm4008592
BindingDB Entry DOI: 10.7270/Q2571FXF
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50492486
PNG
(CHEMBL2402930)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CN\C(=N/C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(N)=O)N1CCCCC1 |r,c:17|
Show InChI InChI=1S/C32H43N9O6/c33-23(15-21-9-11-22(42)12-10-21)29(45)40-26-18-37-32(41-13-5-2-6-14-41)36-17-25(28(34)44)39-31(47)24(16-20-7-3-1-4-8-20)38-27(43)19-35-30(26)46/h1,3-4,7-12,23-26,42H,2,5-6,13-19,33H2,(H2,34,44)(H,35,46)(H,36,37)(H,38,43)(H,39,47)(H,40,45)/t23-,24-,25-,26+/m0/s1
PDB

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3.59E+3n/an/an/an/an/an/an/an/a



Universit£ Montpellier 1

Curated by ChEMBL


Assay Description
Displacement of [3H]-DIDI from delta opioid receptor in Wistar rat brain membranes after 45 mins by liquid scintillation counting analysis


J Med Chem 56: 5964-5973 (2013)


Article DOI: 10.1021/jm4008592
BindingDB Entry DOI: 10.7270/Q2571FXF
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50492486
PNG
(CHEMBL2402930)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CN\C(=N/C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(N)=O)N1CCCCC1 |r,c:17|
Show InChI InChI=1S/C32H43N9O6/c33-23(15-21-9-11-22(42)12-10-21)29(45)40-26-18-37-32(41-13-5-2-6-14-41)36-17-25(28(34)44)39-31(47)24(16-20-7-3-1-4-8-20)38-27(43)19-35-30(26)46/h1,3-4,7-12,23-26,42H,2,5-6,13-19,33H2,(H2,34,44)(H,35,46)(H,36,37)(H,38,43)(H,39,47)(H,40,45)/t23-,24-,25-,26+/m0/s1
PDB

Reactome pathway
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
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PubMed
3.59E+3n/an/an/an/an/an/an/an/a



Universit£ Montpellier 1

Curated by ChEMBL


Assay Description
Displacement of [3H]-DIDI from delta opioid receptor in Wistar rat brain membranes after 45 mins by liquid scintillation counting analysis


J Med Chem 56: 5964-5973 (2013)


Article DOI: 10.1021/jm4008592
BindingDB Entry DOI: 10.7270/Q2571FXF
More data for this
Ligand-Target Pair
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