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Compile Data Set for Download or QSAR

Found 30 hits Enz. Inhib. hit(s) with all data for entry = 50006210   
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


(Homo sapiens (Human))
BDBM21015
PNG
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO
Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1
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1.5n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in HEK293 cells by scintillation counting


J Med Chem 57: 6861-6 (2014)


Article DOI: 10.1021/jm5002925
BindingDB Entry DOI: 10.7270/Q2MS3WRW
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50000296
PNG
(CHEMBL441765 | CHEMBL482811 | U-50488H | US1149237...)
Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C19H26Cl2N2O/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23/h8-9,12,17-18H,2-7,10-11,13H2,1H3/t17-,18-/m1/s1
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2.90n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa opioid receptor expressed in HEK293 cells by scintillation counting


J Med Chem 57: 6861-6 (2014)


Article DOI: 10.1021/jm5002925
BindingDB Entry DOI: 10.7270/Q2MS3WRW
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50001683
PNG
(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21+,23-,24-/m0/s1
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3.30n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human delta opioid receptor expressed in HEK293 cells by scintillation counting


J Med Chem 57: 6861-6 (2014)


Article DOI: 10.1021/jm5002925
BindingDB Entry DOI: 10.7270/Q2MS3WRW
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50497848
PNG
(CHEMBL3319079)
Show SMILES Oc1ccc(C[C@@H]2NC(=O)CNC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)CNC2=O)cc1 |r|
Show InChI InChI=1S/C33H34N6O6/c40-23-12-10-21(11-13-23)15-26-31(43)35-19-30(42)38-28(16-22-17-34-25-9-5-4-8-24(22)25)33(45)39-27(14-20-6-2-1-3-7-20)32(44)36-18-29(41)37-26/h1-13,17,26-28,34,40H,14-16,18-19H2,(H,35,43)(H,36,44)(H,37,41)(H,38,42)(H,39,45)/t26-,27-,28+/m0/s1
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3.60n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in HEK293 cells by scintillation counting


J Med Chem 57: 6861-6 (2014)


Article DOI: 10.1021/jm5002925
BindingDB Entry DOI: 10.7270/Q2MS3WRW
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50497846
PNG
(CHEMBL3319091)
Show SMILES CC(=O)N[C@H](Cc1c(C)[nH]c2c(Br)cccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C25H28BrN5O4/c1-14-18(17-9-6-10-19(26)23(17)29-14)12-21(30-15(2)32)25(35)31-20(24(34)28-13-22(27)33)11-16-7-4-3-5-8-16/h3-10,20-21,29H,11-13H2,1-2H3,(H2,27,33)(H,28,34)(H,30,32)(H,31,35)/t20-,21+/m0/s1
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4n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in HEK293 cells by scintillation counting


J Med Chem 57: 6861-6 (2014)


Article DOI: 10.1021/jm5002925
BindingDB Entry DOI: 10.7270/Q2MS3WRW
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50497845
PNG
(CHEMBL3319084)
Show SMILES CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C24H26FN5O4/c1-14(31)29-21(10-16-12-27-19-11-17(25)7-8-18(16)19)24(34)30-20(23(33)28-13-22(26)32)9-15-5-3-2-4-6-15/h2-8,11-12,20-21,27H,9-10,13H2,1H3,(H2,26,32)(H,28,33)(H,29,31)(H,30,34)/t20-,21+/m0/s1
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5.70n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in HEK293 cells by scintillation counting


J Med Chem 57: 6861-6 (2014)


Article DOI: 10.1021/jm5002925
BindingDB Entry DOI: 10.7270/Q2MS3WRW
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50497857
PNG
(CHEMBL3319085)
Show SMILES CC(=O)N[C@H](Cc1c[nH]c2ccc(Cl)cc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C24H26ClN5O4/c1-14(31)29-21(10-16-12-27-19-8-7-17(25)11-18(16)19)24(34)30-20(23(33)28-13-22(26)32)9-15-5-3-2-4-6-15/h2-8,11-12,20-21,27H,9-10,13H2,1H3,(H2,26,32)(H,28,33)(H,29,31)(H,30,34)/t20-,21+/m0/s1
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21n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in HEK293 cells by scintillation counting


J Med Chem 57: 6861-6 (2014)


Article DOI: 10.1021/jm5002925
BindingDB Entry DOI: 10.7270/Q2MS3WRW
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50497848
PNG
(CHEMBL3319079)
Show SMILES Oc1ccc(C[C@@H]2NC(=O)CNC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)CNC2=O)cc1 |r|
Show InChI InChI=1S/C33H34N6O6/c40-23-12-10-21(11-13-23)15-26-31(43)35-19-30(42)38-28(16-22-17-34-25-9-5-4-8-24(22)25)33(45)39-27(14-20-6-2-1-3-7-20)32(44)36-18-29(41)37-26/h1-13,17,26-28,34,40H,14-16,18-19H2,(H,35,43)(H,36,44)(H,37,41)(H,38,42)(H,39,45)/t26-,27-,28+/m0/s1
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24n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human delta opioid receptor expressed in HEK293 cells by scintillation counting


J Med Chem 57: 6861-6 (2014)


Article DOI: 10.1021/jm5002925
BindingDB Entry DOI: 10.7270/Q2MS3WRW
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50497852
PNG
(CHEMBL3319089)
Show SMILES CC(=O)N[C@H](Cc1c[nH]c2ccc(cc12)[N+]([O-])=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C24H26N6O6/c1-14(31)28-21(10-16-12-26-19-8-7-17(30(35)36)11-18(16)19)24(34)29-20(23(33)27-13-22(25)32)9-15-5-3-2-4-6-15/h2-8,11-12,20-21,26H,9-10,13H2,1H3,(H2,25,32)(H,27,33)(H,28,31)(H,29,34)/t20-,21+/m0/s1
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52n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in HEK293 cells by scintillation counting


J Med Chem 57: 6861-6 (2014)


Article DOI: 10.1021/jm5002925
BindingDB Entry DOI: 10.7270/Q2MS3WRW
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50497851
PNG
(CHEMBL3319087)
Show SMILES CC(=O)N[C@H](Cc1c[nH]c2ccc(Br)cc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C24H26BrN5O4/c1-14(31)29-21(10-16-12-27-19-8-7-17(25)11-18(16)19)24(34)30-20(23(33)28-13-22(26)32)9-15-5-3-2-4-6-15/h2-8,11-12,20-21,27H,9-10,13H2,1H3,(H2,26,32)(H,28,33)(H,29,31)(H,30,34)/t20-,21+/m0/s1
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114n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in HEK293 cells by scintillation counting


J Med Chem 57: 6861-6 (2014)


Article DOI: 10.1021/jm5002925
BindingDB Entry DOI: 10.7270/Q2MS3WRW
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50497847
PNG
(CHEMBL3319088)
Show SMILES CC(=O)N[C@H](Cc1c[nH]c2c(Br)cccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C24H26BrN5O4/c1-14(31)29-20(11-16-12-27-22-17(16)8-5-9-18(22)25)24(34)30-19(23(33)28-13-21(26)32)10-15-6-3-2-4-7-15/h2-9,12,19-20,27H,10-11,13H2,1H3,(H2,26,32)(H,28,33)(H,29,31)(H,30,34)/t19-,20+/m0/s1
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190n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in HEK293 cells by scintillation counting


J Med Chem 57: 6861-6 (2014)


Article DOI: 10.1021/jm5002925
BindingDB Entry DOI: 10.7270/Q2MS3WRW
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50497854
PNG
(CHEMBL3319080)
Show SMILES CC(=O)N[C@H](Cc1c(C)[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C25H29N5O4/c1-15-19(18-10-6-7-11-20(18)28-15)13-22(29-16(2)31)25(34)30-21(24(33)27-14-23(26)32)12-17-8-4-3-5-9-17/h3-11,21-22,28H,12-14H2,1-2H3,(H2,26,32)(H,27,33)(H,29,31)(H,30,34)/t21-,22+/m0/s1
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314n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in HEK293 cells by scintillation counting


J Med Chem 57: 6861-6 (2014)


Article DOI: 10.1021/jm5002925
BindingDB Entry DOI: 10.7270/Q2MS3WRW
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50497855
PNG
(CHEMBL3319081)
Show SMILES CC(=O)N[C@H](Cc1c[nH]c2ccc(C)cc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C25H29N5O4/c1-15-8-9-20-19(10-15)18(13-27-20)12-22(29-16(2)31)25(34)30-21(24(33)28-14-23(26)32)11-17-6-4-3-5-7-17/h3-10,13,21-22,27H,11-12,14H2,1-2H3,(H2,26,32)(H,28,33)(H,29,31)(H,30,34)/t21-,22+/m0/s1
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426n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in HEK293 cells by scintillation counting


J Med Chem 57: 6861-6 (2014)


Article DOI: 10.1021/jm5002925
BindingDB Entry DOI: 10.7270/Q2MS3WRW
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50497853
PNG
(CHEMBL3319090)
Show SMILES CC(=O)N[C@H](Cc1c(C)[nH]c2ccc(Cl)cc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C25H28ClN5O4/c1-14-18(19-11-17(26)8-9-20(19)29-14)12-22(30-15(2)32)25(35)31-21(24(34)28-13-23(27)33)10-16-6-4-3-5-7-16/h3-9,11,21-22,29H,10,12-13H2,1-2H3,(H2,27,33)(H,28,34)(H,30,32)(H,31,35)/t21-,22+/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in HEK293 cells by scintillation counting


J Med Chem 57: 6861-6 (2014)


Article DOI: 10.1021/jm5002925
BindingDB Entry DOI: 10.7270/Q2MS3WRW
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50497854
PNG
(CHEMBL3319080)
Show SMILES CC(=O)N[C@H](Cc1c(C)[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C25H29N5O4/c1-15-19(18-10-6-7-11-20(18)28-15)13-22(29-16(2)31)25(34)30-21(24(33)27-14-23(26)32)12-17-8-4-3-5-9-17/h3-11,21-22,28H,12-14H2,1-2H3,(H2,26,32)(H,27,33)(H,29,31)(H,30,34)/t21-,22+/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human delta opioid receptor expressed in HEK293 cells by scintillation counting


J Med Chem 57: 6861-6 (2014)


Article DOI: 10.1021/jm5002925
BindingDB Entry DOI: 10.7270/Q2MS3WRW
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50497855
PNG
(CHEMBL3319081)
Show SMILES CC(=O)N[C@H](Cc1c[nH]c2ccc(C)cc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C25H29N5O4/c1-15-8-9-20-19(10-15)18(13-27-20)12-22(29-16(2)31)25(34)30-21(24(33)28-14-23(26)32)11-17-6-4-3-5-7-17/h3-10,13,21-22,27H,11-12,14H2,1-2H3,(H2,26,32)(H,28,33)(H,29,31)(H,30,34)/t21-,22+/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa opioid receptor expressed in HEK293 cells by scintillation counting


J Med Chem 57: 6861-6 (2014)


Article DOI: 10.1021/jm5002925
BindingDB Entry DOI: 10.7270/Q2MS3WRW
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50497851
PNG
(CHEMBL3319087)
Show SMILES CC(=O)N[C@H](Cc1c[nH]c2ccc(Br)cc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C24H26BrN5O4/c1-14(31)29-21(10-16-12-27-19-8-7-17(25)11-18(16)19)24(34)30-20(23(33)28-13-22(26)32)9-15-5-3-2-4-6-15/h2-8,11-12,20-21,27H,9-10,13H2,1H3,(H2,26,32)(H,28,33)(H,29,31)(H,30,34)/t20-,21+/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa opioid receptor expressed in HEK293 cells by scintillation counting


J Med Chem 57: 6861-6 (2014)


Article DOI: 10.1021/jm5002925
BindingDB Entry DOI: 10.7270/Q2MS3WRW
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50497852
PNG
(CHEMBL3319089)
Show SMILES CC(=O)N[C@H](Cc1c[nH]c2ccc(cc12)[N+]([O-])=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C24H26N6O6/c1-14(31)28-21(10-16-12-26-19-8-7-17(30(35)36)11-18(16)19)24(34)29-20(23(33)27-13-22(25)32)9-15-5-3-2-4-6-15/h2-8,11-12,20-21,26H,9-10,13H2,1H3,(H2,25,32)(H,27,33)(H,28,31)(H,29,34)/t20-,21+/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa opioid receptor expressed in HEK293 cells by scintillation counting


J Med Chem 57: 6861-6 (2014)


Article DOI: 10.1021/jm5002925
BindingDB Entry DOI: 10.7270/Q2MS3WRW
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50497850
PNG
(CHEMBL3319086)
Show SMILES CC(=O)N[C@H](Cc1c[nH]c2cc(Cl)ccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C24H26ClN5O4/c1-14(31)29-21(10-16-12-27-19-11-17(25)7-8-18(16)19)24(34)30-20(23(33)28-13-22(26)32)9-15-5-3-2-4-6-15/h2-8,11-12,20-21,27H,9-10,13H2,1H3,(H2,26,32)(H,28,33)(H,29,31)(H,30,34)/t20-,21+/m0/s1
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University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in HEK293 cells by scintillation counting


J Med Chem 57: 6861-6 (2014)


Article DOI: 10.1021/jm5002925
BindingDB Entry DOI: 10.7270/Q2MS3WRW
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50497856
PNG
(CHEMBL3319083)
Show SMILES CC(=O)N[C@H](Cc1c[nH]c2ccc(F)cc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C24H26FN5O4/c1-14(31)29-21(10-16-12-27-19-8-7-17(25)11-18(16)19)24(34)30-20(23(33)28-13-22(26)32)9-15-5-3-2-4-6-15/h2-8,11-12,20-21,27H,9-10,13H2,1H3,(H2,26,32)(H,28,33)(H,29,31)(H,30,34)/t20-,21+/m0/s1
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University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in HEK293 cells by scintillation counting


J Med Chem 57: 6861-6 (2014)


Article DOI: 10.1021/jm5002925
BindingDB Entry DOI: 10.7270/Q2MS3WRW
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50497849
PNG
(CHEMBL3319082)
Show SMILES CC(=O)N[C@H](Cc1c[nH]c2c(C)cccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C25H29N5O4/c1-15-7-6-10-19-18(13-27-23(15)19)12-21(29-16(2)31)25(34)30-20(24(33)28-14-22(26)32)11-17-8-4-3-5-9-17/h3-10,13,20-21,27H,11-12,14H2,1-2H3,(H2,26,32)(H,28,33)(H,29,31)(H,30,34)/t20-,21+/m0/s1
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University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in HEK293 cells by scintillation counting


J Med Chem 57: 6861-6 (2014)


Article DOI: 10.1021/jm5002925
BindingDB Entry DOI: 10.7270/Q2MS3WRW
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50497847
PNG
(CHEMBL3319088)
Show SMILES CC(=O)N[C@H](Cc1c[nH]c2c(Br)cccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C24H26BrN5O4/c1-14(31)29-20(11-16-12-27-22-17(16)8-5-9-18(22)25)24(34)30-19(23(33)28-13-21(26)32)10-15-6-3-2-4-7-15/h2-9,12,19-20,27H,10-11,13H2,1H3,(H2,26,32)(H,28,33)(H,29,31)(H,30,34)/t19-,20+/m0/s1
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University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human delta opioid receptor expressed in HEK293 cells by scintillation counting


J Med Chem 57: 6861-6 (2014)


Article DOI: 10.1021/jm5002925
BindingDB Entry DOI: 10.7270/Q2MS3WRW
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50497852
PNG
(CHEMBL3319089)
Show SMILES CC(=O)N[C@H](Cc1c[nH]c2ccc(cc12)[N+]([O-])=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C24H26N6O6/c1-14(31)28-21(10-16-12-26-19-8-7-17(30(35)36)11-18(16)19)24(34)29-20(23(33)27-13-22(25)32)9-15-5-3-2-4-6-15/h2-8,11-12,20-21,26H,9-10,13H2,1H3,(H2,25,32)(H,27,33)(H,28,31)(H,29,34)/t20-,21+/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human delta opioid receptor expressed in HEK293 cells by scintillation counting


J Med Chem 57: 6861-6 (2014)


Article DOI: 10.1021/jm5002925
BindingDB Entry DOI: 10.7270/Q2MS3WRW
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50497854
PNG
(CHEMBL3319080)
Show SMILES CC(=O)N[C@H](Cc1c(C)[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C25H29N5O4/c1-15-19(18-10-6-7-11-20(18)28-15)13-22(29-16(2)31)25(34)30-21(24(33)27-14-23(26)32)12-17-8-4-3-5-9-17/h3-11,21-22,28H,12-14H2,1-2H3,(H2,26,32)(H,27,33)(H,29,31)(H,30,34)/t21-,22+/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa opioid receptor expressed in HEK293 cells by scintillation counting


J Med Chem 57: 6861-6 (2014)


Article DOI: 10.1021/jm5002925
BindingDB Entry DOI: 10.7270/Q2MS3WRW
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50497846
PNG
(CHEMBL3319091)
Show SMILES CC(=O)N[C@H](Cc1c(C)[nH]c2c(Br)cccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C25H28BrN5O4/c1-14-18(17-9-6-10-19(26)23(17)29-14)12-21(30-15(2)32)25(35)31-20(24(34)28-13-22(27)33)11-16-7-4-3-5-8-16/h3-10,20-21,29H,11-13H2,1-2H3,(H2,27,33)(H,28,34)(H,30,32)(H,31,35)/t20-,21+/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa opioid receptor expressed in HEK293 cells by scintillation counting


J Med Chem 57: 6861-6 (2014)


Article DOI: 10.1021/jm5002925
BindingDB Entry DOI: 10.7270/Q2MS3WRW
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50497847
PNG
(CHEMBL3319088)
Show SMILES CC(=O)N[C@H](Cc1c[nH]c2c(Br)cccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C24H26BrN5O4/c1-14(31)29-20(11-16-12-27-22-17(16)8-5-9-18(22)25)24(34)30-19(23(33)28-13-21(26)32)10-15-6-3-2-4-7-15/h2-9,12,19-20,27H,10-11,13H2,1H3,(H2,26,32)(H,28,33)(H,29,31)(H,30,34)/t19-,20+/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa opioid receptor expressed in HEK293 cells by scintillation counting


J Med Chem 57: 6861-6 (2014)


Article DOI: 10.1021/jm5002925
BindingDB Entry DOI: 10.7270/Q2MS3WRW
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50497851
PNG
(CHEMBL3319087)
Show SMILES CC(=O)N[C@H](Cc1c[nH]c2ccc(Br)cc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C24H26BrN5O4/c1-14(31)29-21(10-16-12-27-19-8-7-17(25)11-18(16)19)24(34)30-20(23(33)28-13-22(26)32)9-15-5-3-2-4-6-15/h2-8,11-12,20-21,27H,9-10,13H2,1H3,(H2,26,32)(H,28,33)(H,29,31)(H,30,34)/t20-,21+/m0/s1
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University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human delta opioid receptor expressed in HEK293 cells by scintillation counting


J Med Chem 57: 6861-6 (2014)


Article DOI: 10.1021/jm5002925
BindingDB Entry DOI: 10.7270/Q2MS3WRW
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50497846
PNG
(CHEMBL3319091)
Show SMILES CC(=O)N[C@H](Cc1c(C)[nH]c2c(Br)cccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C25H28BrN5O4/c1-14-18(17-9-6-10-19(26)23(17)29-14)12-21(30-15(2)32)25(35)31-20(24(34)28-13-22(27)33)11-16-7-4-3-5-8-16/h3-10,20-21,29H,11-13H2,1-2H3,(H2,27,33)(H,28,34)(H,30,32)(H,31,35)/t20-,21+/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human delta opioid receptor expressed in HEK293 cells by scintillation counting


J Med Chem 57: 6861-6 (2014)


Article DOI: 10.1021/jm5002925
BindingDB Entry DOI: 10.7270/Q2MS3WRW
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50497855
PNG
(CHEMBL3319081)
Show SMILES CC(=O)N[C@H](Cc1c[nH]c2ccc(C)cc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C25H29N5O4/c1-15-8-9-20-19(10-15)18(13-27-20)12-22(29-16(2)31)25(34)30-21(24(33)28-14-23(26)32)11-17-6-4-3-5-7-17/h3-10,13,21-22,27H,11-12,14H2,1-2H3,(H2,26,32)(H,28,33)(H,29,31)(H,30,34)/t21-,22+/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human delta opioid receptor expressed in HEK293 cells by scintillation counting


J Med Chem 57: 6861-6 (2014)


Article DOI: 10.1021/jm5002925
BindingDB Entry DOI: 10.7270/Q2MS3WRW
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50497848
PNG
(CHEMBL3319079)
Show SMILES Oc1ccc(C[C@@H]2NC(=O)CNC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)CNC2=O)cc1 |r|
Show InChI InChI=1S/C33H34N6O6/c40-23-12-10-21(11-13-23)15-26-31(43)35-19-30(42)38-28(16-22-17-34-25-9-5-4-8-24(22)25)33(45)39-27(14-20-6-2-1-3-7-20)32(44)36-18-29(41)37-26/h1-13,17,26-28,34,40H,14-16,18-19H2,(H,35,43)(H,36,44)(H,37,41)(H,38,42)(H,39,45)/t26-,27-,28+/m0/s1
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University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa opioid receptor expressed in HEK293 cells by scintillation counting


J Med Chem 57: 6861-6 (2014)


Article DOI: 10.1021/jm5002925
BindingDB Entry DOI: 10.7270/Q2MS3WRW
More data for this
Ligand-Target Pair