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Articleid 50034910

Compile data set for download or QSAR
Found 36 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Delta-type opioid receptor


(MOUSE)
BDBM50290872
PNG
((-)-rel-3-((4aR,12aS)-2-methyl-1,2,3,4,4a,5,12,12a...)
Show SMILES CN1CC[C@@]2(Cc3nc4ccccc4cc3C[C@H]2C1)c1cccc(O)c1 |r|
Show InChI InChI=1S/C23H24N2O/c1-25-10-9-23(18-6-4-7-20(26)13-18)14-22-17(12-19(23)15-25)11-16-5-2-3-8-21(16)24-22/h2-8,11,13,19,26H,9-10,12,14-15H2,1H3/t19-,23+/m0/s1
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0.230n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
inhibition of [3H]DADLE binding to delta-opioid receptor of mouse brain homogenates


Bioorg Med Chem Lett 7: 2967-2972 (1997)


Article DOI: 10.1016/S0960-894X(97)10119-6
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50450528
PNG
(CHEMBL2051964)
Show SMILES Cc1ccc(O)c(c1)C(=O)NC[C@]1(C)C[C@H](O)CC(C)(C)C1 |r|
Show InChI InChI=1S/C18H27NO3/c1-12-5-6-15(21)14(7-12)16(22)19-11-18(4)9-13(20)8-17(2,3)10-18/h5-7,13,20-21H,8-11H2,1-4H3,(H,19,22)/t13-,18-/m1/s1
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0.460n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
inhibition of [3H]DADLE binding to delta-opioid receptor of mouse brain homogenates


Bioorg Med Chem Lett 7: 2967-2972 (1997)


Article DOI: 10.1016/S0960-894X(97)10119-6
More data for this
Ligand-Target Pair
Opioid receptor


(MOUSE)
BDBM50061061
PNG
((4aR,8aS)-6-Ethyl-8a-(3-hydroxy-phenyl)-3-methyl-4...)
Show SMILES CCN(CC)C(=O)c1[nH]c2C[C@]3(CCN(CC)C[C@@H]3Cc2c1C)c1cccc(O)c1
Show InChI InChI=1S/C25H35N3O2/c1-5-27-12-11-25(18-9-8-10-20(29)13-18)15-22-21(14-19(25)16-27)17(4)23(26-22)24(30)28(6-2)7-3/h8-10,13,19,26,29H,5-7,11-12,14-16H2,1-4H3/t19-,25+/m0/s1
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0.950n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




Bioorg Med Chem Lett 7: 2967-2972 (1997)


Article DOI: 10.1016/S0960-894X(97)10119-6
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50290869
PNG
((4aR,8aR)-7-Ethyl-4a-(3-hydroxy-phenyl)-3-methyl-4...)
Show SMILES CCN(CC)C(=S)c1[nH]c2C[C@H]3CN(CC)CC[C@@]3(Cc2c1C)c1cccc(O)c1
Show InChI InChI=1S/C25H35N3OS/c1-5-27-12-11-25(18-9-8-10-20(29)13-18)15-21-17(4)23(24(30)28(6-2)7-3)26-22(21)14-19(25)16-27/h8-10,13,19,26,29H,5-7,11-12,14-16H2,1-4H3/t19-,25+/m0/s1
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1.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
inhibition of [3H]DADLE binding to delta-opioid receptor of mouse brain homogenates


Bioorg Med Chem Lett 7: 2967-2972 (1997)


Article DOI: 10.1016/S0960-894X(97)10119-6
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50061061
PNG
((4aR,8aS)-6-Ethyl-8a-(3-hydroxy-phenyl)-3-methyl-4...)
Show SMILES CCN(CC)C(=O)c1[nH]c2C[C@]3(CCN(CC)C[C@@H]3Cc2c1C)c1cccc(O)c1
Show InChI InChI=1S/C25H35N3O2/c1-5-27-12-11-25(18-9-8-10-20(29)13-18)15-22-21(14-19(25)16-27)17(4)23(26-22)24(30)28(6-2)7-3/h8-10,13,19,26,29H,5-7,11-12,14-16H2,1-4H3/t19-,25+/m0/s1
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1.90n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
inhibition of [3H]DADLE binding to delta-opioid receptor of mouse brain homogenates


Bioorg Med Chem Lett 7: 2967-2972 (1997)


Article DOI: 10.1016/S0960-894X(97)10119-6
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50061063
PNG
((4aR,8aS)-8a-(3-Hydroxy-phenyl)-3,6-dimethyl-4,4a,...)
Show SMILES CCN(CC)C(=O)c1[nH]c2C[C@]3(CCN(C)C[C@@H]3Cc2c1C)c1cccc(O)c1
Show InChI InChI=1S/C24H33N3O2/c1-5-27(6-2)23(29)22-16(3)20-13-18-15-26(4)11-10-24(18,14-21(20)25-22)17-8-7-9-19(28)12-17/h7-9,12,18,25,28H,5-6,10-11,13-15H2,1-4H3/t18-,24+/m0/s1
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2.10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
inhibition of [3H]DADLE binding to delta-opioid receptor of mouse brain homogenates


Bioorg Med Chem Lett 7: 2967-2972 (1997)


Article DOI: 10.1016/S0960-894X(97)10119-6
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50290866
PNG
((4aR,8aR)-7-Ethyl-4a-(3-hydroxy-phenyl)-3-methyl-4...)
Show SMILES CCOC(=O)c1[nH]c2C[C@H]3CN(CC)CC[C@@]3(Cc2c1C)c1cccc(O)c1
Show InChI InChI=1S/C23H30N2O3/c1-4-25-10-9-23(16-7-6-8-18(26)11-16)13-19-15(3)21(22(27)28-5-2)24-20(19)12-17(23)14-25/h6-8,11,17,24,26H,4-5,9-10,12-14H2,1-3H3/t17-,23+/m0/s1
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2.40n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
inhibition of [3H]DADLE binding to delta-opioid receptor of mouse brain homogenates


Bioorg Med Chem Lett 7: 2967-2972 (1997)


Article DOI: 10.1016/S0960-894X(97)10119-6
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50290868
PNG
((4aR,8aS)-6-Ethyl-8a-(3-hydroxy-phenyl)-3-methyl-4...)
Show SMILES CCN1CC[C@@]2(Cc3[nH]c(C(=O)N(C(C)C)C(C)C)c(C)c3C[C@H]2C1)c1cccc(O)c1
Show InChI InChI=1S/C27H39N3O2/c1-7-29-12-11-27(20-9-8-10-22(31)13-20)15-24-23(14-21(27)16-29)19(6)25(28-24)26(32)30(17(2)3)18(4)5/h8-10,13,17-18,21,28,31H,7,11-12,14-16H2,1-6H3/t21-,27+/m0/s1
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2.60n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
inhibition of [3H]DADLE binding to delta-opioid receptor of mouse brain homogenates


Bioorg Med Chem Lett 7: 2967-2972 (1997)


Article DOI: 10.1016/S0960-894X(97)10119-6
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50290870
PNG
((4aR,8aR)-4a-(3-Hydroxy-phenyl)-3,7-dimethyl-4,4a,...)
Show SMILES CCN(CC)C(=O)c1[nH]c2C[C@H]3CN(C)CC[C@@]3(Cc2c1C)c1cccc(O)c1
Show InChI InChI=1S/C24H33N3O2/c1-5-27(6-2)23(29)22-16(3)20-14-24(17-8-7-9-19(28)12-17)10-11-26(4)15-18(24)13-21(20)25-22/h7-9,12,18,25,28H,5-6,10-11,13-15H2,1-4H3/t18-,24+/m0/s1
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3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
inhibition of [3H]DADLE binding to delta-opioid receptor of mouse brain homogenates


Bioorg Med Chem Lett 7: 2967-2972 (1997)


Article DOI: 10.1016/S0960-894X(97)10119-6
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50290871
PNG
((4aR,8aS)-6-Ethyl-8a-(3-hydroxy-phenyl)-3-methyl-4...)
Show SMILES CCN1CC[C@@]2(Cc3[nH]c(C(=O)N(C)C)c(C)c3C[C@H]2C1)c1cccc(O)c1
Show InChI InChI=1S/C23H31N3O2/c1-5-26-10-9-23(16-7-6-8-18(27)11-16)13-20-19(12-17(23)14-26)15(2)21(24-20)22(28)25(3)4/h6-8,11,17,24,27H,5,9-10,12-14H2,1-4H3/t17-,23+/m0/s1
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6.80n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
inhibition of [3H]DADLE binding to delta-opioid receptor of mouse brain homogenates


Bioorg Med Chem Lett 7: 2967-2972 (1997)


Article DOI: 10.1016/S0960-894X(97)10119-6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50450528
PNG
(CHEMBL2051964)
Show SMILES Cc1ccc(O)c(c1)C(=O)NC[C@]1(C)C[C@H](O)CC(C)(C)C1 |r|
Show InChI InChI=1S/C18H27NO3/c1-12-5-6-15(21)14(7-12)16(22)19-11-18(4)9-13(20)8-17(2,3)10-18/h5-7,13,20-21H,8-11H2,1-4H3,(H,19,22)/t13-,18-/m1/s1
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9.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against Kappa opioid receptor using [3H]U-69593 radioligand in mouse brain homogenates


Bioorg Med Chem Lett 7: 2967-2972 (1997)


Article DOI: 10.1016/S0960-894X(97)10119-6
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50290867
PNG
((4aR,8aS)-6-Ethyl-8a-(3-hydroxy-phenyl)-3-methyl-4...)
Show SMILES CCN1CC[C@@]2(Cc3[nH]c(C(N)=O)c(C)c3C[C@H]2C1)c1cccc(O)c1
Show InChI InChI=1S/C21H27N3O2/c1-3-24-8-7-21(14-5-4-6-16(25)9-14)11-18-17(10-15(21)12-24)13(2)19(23-18)20(22)26/h4-6,9,15,23,25H,3,7-8,10-12H2,1-2H3,(H2,22,26)/t15-,21+/m0/s1
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15n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
inhibition of [3H]DADLE binding to delta-opioid receptor of mouse brain homogenates


Bioorg Med Chem Lett 7: 2967-2972 (1997)


Article DOI: 10.1016/S0960-894X(97)10119-6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50450528
PNG
(CHEMBL2051964)
Show SMILES Cc1ccc(O)c(c1)C(=O)NC[C@]1(C)C[C@H](O)CC(C)(C)C1 |r|
Show InChI InChI=1S/C18H27NO3/c1-12-5-6-15(21)14(7-12)16(22)19-11-18(4)9-13(20)8-17(2,3)10-18/h5-7,13,20-21H,8-11H2,1-4H3,(H,19,22)/t13-,18-/m1/s1
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16n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]DAMGO from mouse brain homogenate Mu opioid receptor


Bioorg Med Chem Lett 7: 2967-2972 (1997)


Article DOI: 10.1016/S0960-894X(97)10119-6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50290869
PNG
((4aR,8aR)-7-Ethyl-4a-(3-hydroxy-phenyl)-3-methyl-4...)
Show SMILES CCN(CC)C(=S)c1[nH]c2C[C@H]3CN(CC)CC[C@@]3(Cc2c1C)c1cccc(O)c1
Show InChI InChI=1S/C25H35N3OS/c1-5-27-12-11-25(18-9-8-10-20(29)13-18)15-21-17(4)23(24(30)28(6-2)7-3)26-22(21)14-19(25)16-27/h8-10,13,19,26,29H,5-7,11-12,14-16H2,1-4H3/t19-,25+/m0/s1
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42n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]DAMGO from mouse brain homogenate Mu opioid receptor


Bioorg Med Chem Lett 7: 2967-2972 (1997)


Article DOI: 10.1016/S0960-894X(97)10119-6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50290868
PNG
((4aR,8aS)-6-Ethyl-8a-(3-hydroxy-phenyl)-3-methyl-4...)
Show SMILES CCN1CC[C@@]2(Cc3[nH]c(C(=O)N(C(C)C)C(C)C)c(C)c3C[C@H]2C1)c1cccc(O)c1
Show InChI InChI=1S/C27H39N3O2/c1-7-29-12-11-27(20-9-8-10-22(31)13-20)15-24-23(14-21(27)16-29)19(6)25(28-24)26(32)30(17(2)3)18(4)5/h8-10,13,17-18,21,28,31H,7,11-12,14-16H2,1-6H3/t21-,27+/m0/s1
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58n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]DAMGO from mouse brain homogenate Mu opioid receptor


Bioorg Med Chem Lett 7: 2967-2972 (1997)


Article DOI: 10.1016/S0960-894X(97)10119-6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50290872
PNG
((-)-rel-3-((4aR,12aS)-2-methyl-1,2,3,4,4a,5,12,12a...)
Show SMILES CN1CC[C@@]2(Cc3nc4ccccc4cc3C[C@H]2C1)c1cccc(O)c1 |r|
Show InChI InChI=1S/C23H24N2O/c1-25-10-9-23(18-6-4-7-20(26)13-18)14-22-17(12-19(23)15-25)11-16-5-2-3-8-21(16)24-22/h2-8,11,13,19,26H,9-10,12,14-15H2,1H3/t19-,23+/m0/s1
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60n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]DAMGO from mouse brain homogenate Mu opioid receptor


Bioorg Med Chem Lett 7: 2967-2972 (1997)


Article DOI: 10.1016/S0960-894X(97)10119-6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50290867
PNG
((4aR,8aS)-6-Ethyl-8a-(3-hydroxy-phenyl)-3-methyl-4...)
Show SMILES CCN1CC[C@@]2(Cc3[nH]c(C(N)=O)c(C)c3C[C@H]2C1)c1cccc(O)c1
Show InChI InChI=1S/C21H27N3O2/c1-3-24-8-7-21(14-5-4-6-16(25)9-14)11-18-17(10-15(21)12-24)13(2)19(23-18)20(22)26/h4-6,9,15,23,25H,3,7-8,10-12H2,1-2H3,(H2,22,26)/t15-,21+/m0/s1
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70n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against Kappa opioid receptor using [3H]U-69593 radioligand in mouse brain homogenates


Bioorg Med Chem Lett 7: 2967-2972 (1997)


Article DOI: 10.1016/S0960-894X(97)10119-6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50290870
PNG
((4aR,8aR)-4a-(3-Hydroxy-phenyl)-3,7-dimethyl-4,4a,...)
Show SMILES CCN(CC)C(=O)c1[nH]c2C[C@H]3CN(C)CC[C@@]3(Cc2c1C)c1cccc(O)c1
Show InChI InChI=1S/C24H33N3O2/c1-5-27(6-2)23(29)22-16(3)20-14-24(17-8-7-9-19(28)12-17)10-11-26(4)15-18(24)13-21(20)25-22/h7-9,12,18,25,28H,5-6,10-11,13-15H2,1-4H3/t18-,24+/m0/s1
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89n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]DAMGO from mouse brain homogenate Mu opioid receptor


Bioorg Med Chem Lett 7: 2967-2972 (1997)


Article DOI: 10.1016/S0960-894X(97)10119-6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50061063
PNG
((4aR,8aS)-8a-(3-Hydroxy-phenyl)-3,6-dimethyl-4,4a,...)
Show SMILES CCN(CC)C(=O)c1[nH]c2C[C@]3(CCN(C)C[C@@H]3Cc2c1C)c1cccc(O)c1
Show InChI InChI=1S/C24H33N3O2/c1-5-27(6-2)23(29)22-16(3)20-13-18-15-26(4)11-10-24(18,14-21(20)25-22)17-8-7-9-19(28)12-17/h7-9,12,18,25,28H,5-6,10-11,13-15H2,1-4H3/t18-,24+/m0/s1
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93n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]DAMGO from mouse brain homogenate Mu opioid receptor


Bioorg Med Chem Lett 7: 2967-2972 (1997)


Article DOI: 10.1016/S0960-894X(97)10119-6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50061061
PNG
((4aR,8aS)-6-Ethyl-8a-(3-hydroxy-phenyl)-3-methyl-4...)
Show SMILES CCN(CC)C(=O)c1[nH]c2C[C@]3(CCN(CC)C[C@@H]3Cc2c1C)c1cccc(O)c1
Show InChI InChI=1S/C25H35N3O2/c1-5-27-12-11-25(18-9-8-10-20(29)13-18)15-22-21(14-19(25)16-27)17(4)23(26-22)24(30)28(6-2)7-3/h8-10,13,19,26,29H,5-7,11-12,14-16H2,1-4H3/t19-,25+/m0/s1
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129n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




Bioorg Med Chem Lett 7: 2967-2972 (1997)


Article DOI: 10.1016/S0960-894X(97)10119-6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50290867
PNG
((4aR,8aS)-6-Ethyl-8a-(3-hydroxy-phenyl)-3-methyl-4...)
Show SMILES CCN1CC[C@@]2(Cc3[nH]c(C(N)=O)c(C)c3C[C@H]2C1)c1cccc(O)c1
Show InChI InChI=1S/C21H27N3O2/c1-3-24-8-7-21(14-5-4-6-16(25)9-14)11-18-17(10-15(21)12-24)13(2)19(23-18)20(22)26/h4-6,9,15,23,25H,3,7-8,10-12H2,1-2H3,(H2,22,26)/t15-,21+/m0/s1
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139n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]DAMGO from mouse brain homogenate Mu opioid receptor


Bioorg Med Chem Lett 7: 2967-2972 (1997)


Article DOI: 10.1016/S0960-894X(97)10119-6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50290866
PNG
((4aR,8aR)-7-Ethyl-4a-(3-hydroxy-phenyl)-3-methyl-4...)
Show SMILES CCOC(=O)c1[nH]c2C[C@H]3CN(CC)CC[C@@]3(Cc2c1C)c1cccc(O)c1
Show InChI InChI=1S/C23H30N2O3/c1-4-25-10-9-23(16-7-6-8-18(26)11-16)13-19-15(3)21(22(27)28-5-2)24-20(19)12-17(23)14-25/h6-8,11,17,24,26H,4-5,9-10,12-14H2,1-3H3/t17-,23+/m0/s1
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141n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]DAMGO from mouse brain homogenate Mu opioid receptor


Bioorg Med Chem Lett 7: 2967-2972 (1997)


Article DOI: 10.1016/S0960-894X(97)10119-6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50290866
PNG
((4aR,8aR)-7-Ethyl-4a-(3-hydroxy-phenyl)-3-methyl-4...)
Show SMILES CCOC(=O)c1[nH]c2C[C@H]3CN(CC)CC[C@@]3(Cc2c1C)c1cccc(O)c1
Show InChI InChI=1S/C23H30N2O3/c1-4-25-10-9-23(16-7-6-8-18(26)11-16)13-19-15(3)21(22(27)28-5-2)24-20(19)12-17(23)14-25/h6-8,11,17,24,26H,4-5,9-10,12-14H2,1-3H3/t17-,23+/m0/s1
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169n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against Kappa opioid receptor using [3H]U-69593 radioligand in mouse brain homogenates


Bioorg Med Chem Lett 7: 2967-2972 (1997)


Article DOI: 10.1016/S0960-894X(97)10119-6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50290872
PNG
((-)-rel-3-((4aR,12aS)-2-methyl-1,2,3,4,4a,5,12,12a...)
Show SMILES CN1CC[C@@]2(Cc3nc4ccccc4cc3C[C@H]2C1)c1cccc(O)c1 |r|
Show InChI InChI=1S/C23H24N2O/c1-25-10-9-23(18-6-4-7-20(26)13-18)14-22-17(12-19(23)15-25)11-16-5-2-3-8-21(16)24-22/h2-8,11,13,19,26H,9-10,12,14-15H2,1H3/t19-,23+/m0/s1
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312n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against Kappa opioid receptor using [3H]U-69593 radioligand in mouse brain homogenates


Bioorg Med Chem Lett 7: 2967-2972 (1997)


Article DOI: 10.1016/S0960-894X(97)10119-6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50061061
PNG
((4aR,8aS)-6-Ethyl-8a-(3-hydroxy-phenyl)-3-methyl-4...)
Show SMILES CCN(CC)C(=O)c1[nH]c2C[C@]3(CCN(CC)C[C@@H]3Cc2c1C)c1cccc(O)c1
Show InChI InChI=1S/C25H35N3O2/c1-5-27-12-11-25(18-9-8-10-20(29)13-18)15-22-21(14-19(25)16-27)17(4)23(26-22)24(30)28(6-2)7-3/h8-10,13,19,26,29H,5-7,11-12,14-16H2,1-4H3/t19-,25+/m0/s1
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407n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]DAMGO from mouse brain homogenate Mu opioid receptor


Bioorg Med Chem Lett 7: 2967-2972 (1997)


Article DOI: 10.1016/S0960-894X(97)10119-6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50290869
PNG
((4aR,8aR)-7-Ethyl-4a-(3-hydroxy-phenyl)-3-methyl-4...)
Show SMILES CCN(CC)C(=S)c1[nH]c2C[C@H]3CN(CC)CC[C@@]3(Cc2c1C)c1cccc(O)c1
Show InChI InChI=1S/C25H35N3OS/c1-5-27-12-11-25(18-9-8-10-20(29)13-18)15-21-17(4)23(24(30)28(6-2)7-3)26-22(21)14-19(25)16-27/h8-10,13,19,26,29H,5-7,11-12,14-16H2,1-4H3/t19-,25+/m0/s1
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449n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against Kappa opioid receptor using [3H]U-69593 radioligand in mouse brain homogenates


Bioorg Med Chem Lett 7: 2967-2972 (1997)


Article DOI: 10.1016/S0960-894X(97)10119-6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50061063
PNG
((4aR,8aS)-8a-(3-Hydroxy-phenyl)-3,6-dimethyl-4,4a,...)
Show SMILES CCN(CC)C(=O)c1[nH]c2C[C@]3(CCN(C)C[C@@H]3Cc2c1C)c1cccc(O)c1
Show InChI InChI=1S/C24H33N3O2/c1-5-27(6-2)23(29)22-16(3)20-13-18-15-26(4)11-10-24(18,14-21(20)25-22)17-8-7-9-19(28)12-17/h7-9,12,18,25,28H,5-6,10-11,13-15H2,1-4H3/t18-,24+/m0/s1
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500n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against Kappa opioid receptor using [3H]U-69593 radioligand in mouse brain homogenates


Bioorg Med Chem Lett 7: 2967-2972 (1997)


Article DOI: 10.1016/S0960-894X(97)10119-6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50290871
PNG
((4aR,8aS)-6-Ethyl-8a-(3-hydroxy-phenyl)-3-methyl-4...)
Show SMILES CCN1CC[C@@]2(Cc3[nH]c(C(=O)N(C)C)c(C)c3C[C@H]2C1)c1cccc(O)c1
Show InChI InChI=1S/C23H31N3O2/c1-5-26-10-9-23(16-7-6-8-18(27)11-16)13-20-19(12-17(23)14-26)15(2)21(24-20)22(28)25(3)4/h6-8,11,17,24,27H,5,9-10,12-14H2,1-4H3/t17-,23+/m0/s1
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580n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]DAMGO from mouse brain homogenate Mu opioid receptor


Bioorg Med Chem Lett 7: 2967-2972 (1997)


Article DOI: 10.1016/S0960-894X(97)10119-6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50290870
PNG
((4aR,8aR)-4a-(3-Hydroxy-phenyl)-3,7-dimethyl-4,4a,...)
Show SMILES CCN(CC)C(=O)c1[nH]c2C[C@H]3CN(C)CC[C@@]3(Cc2c1C)c1cccc(O)c1
Show InChI InChI=1S/C24H33N3O2/c1-5-27(6-2)23(29)22-16(3)20-14-24(17-8-7-9-19(28)12-17)10-11-26(4)15-18(24)13-21(20)25-22/h7-9,12,18,25,28H,5-6,10-11,13-15H2,1-4H3/t18-,24+/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against Kappa opioid receptor using [3H]U-69593 radioligand in mouse brain homogenates


Bioorg Med Chem Lett 7: 2967-2972 (1997)


Article DOI: 10.1016/S0960-894X(97)10119-6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50290871
PNG
((4aR,8aS)-6-Ethyl-8a-(3-hydroxy-phenyl)-3-methyl-4...)
Show SMILES CCN1CC[C@@]2(Cc3[nH]c(C(=O)N(C)C)c(C)c3C[C@H]2C1)c1cccc(O)c1
Show InChI InChI=1S/C23H31N3O2/c1-5-26-10-9-23(16-7-6-8-18(27)11-16)13-20-19(12-17(23)14-26)15(2)21(24-20)22(28)25(3)4/h6-8,11,17,24,27H,5,9-10,12-14H2,1-4H3/t17-,23+/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against Kappa opioid receptor using [3H]U-69593 radioligand in mouse brain homogenates


Bioorg Med Chem Lett 7: 2967-2972 (1997)


Article DOI: 10.1016/S0960-894X(97)10119-6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50290868
PNG
((4aR,8aS)-6-Ethyl-8a-(3-hydroxy-phenyl)-3-methyl-4...)
Show SMILES CCN1CC[C@@]2(Cc3[nH]c(C(=O)N(C(C)C)C(C)C)c(C)c3C[C@H]2C1)c1cccc(O)c1
Show InChI InChI=1S/C27H39N3O2/c1-7-29-12-11-27(20-9-8-10-22(31)13-20)15-24-23(14-21(27)16-29)19(6)25(28-24)26(32)30(17(2)3)18(4)5/h8-10,13,17-18,21,28,31H,7,11-12,14-16H2,1-6H3/t21-,27+/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against Kappa opioid receptor using [3H]U-69593 radioligand in mouse brain homogenates


Bioorg Med Chem Lett 7: 2967-2972 (1997)


Article DOI: 10.1016/S0960-894X(97)10119-6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50061061
PNG
((4aR,8aS)-6-Ethyl-8a-(3-hydroxy-phenyl)-3-methyl-4...)
Show SMILES CCN(CC)C(=O)c1[nH]c2C[C@]3(CCN(CC)C[C@@H]3Cc2c1C)c1cccc(O)c1
Show InChI InChI=1S/C25H35N3O2/c1-5-27-12-11-25(18-9-8-10-20(29)13-18)15-22-21(14-19(25)16-27)17(4)23(26-22)24(30)28(6-2)7-3/h8-10,13,19,26,29H,5-7,11-12,14-16H2,1-4H3/t19-,25+/m0/s1
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1.30E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]DAMGO from mouse brain homogenate Mu opioid receptor


Bioorg Med Chem Lett 7: 2967-2972 (1997)


Article DOI: 10.1016/S0960-894X(97)10119-6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50061061
PNG
((4aR,8aS)-6-Ethyl-8a-(3-hydroxy-phenyl)-3-methyl-4...)
Show SMILES CCN(CC)C(=O)c1[nH]c2C[C@]3(CCN(CC)C[C@@H]3Cc2c1C)c1cccc(O)c1
Show InChI InChI=1S/C25H35N3O2/c1-5-27-12-11-25(18-9-8-10-20(29)13-18)15-22-21(14-19(25)16-27)17(4)23(26-22)24(30)28(6-2)7-3/h8-10,13,19,26,29H,5-7,11-12,14-16H2,1-4H3/t19-,25+/m0/s1
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1.34E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against Kappa opioid receptor using [3H]U-69593 radioligand in mouse brain homogenates


Bioorg Med Chem Lett 7: 2967-2972 (1997)


Article DOI: 10.1016/S0960-894X(97)10119-6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50061061
PNG
((4aR,8aS)-6-Ethyl-8a-(3-hydroxy-phenyl)-3-methyl-4...)
Show SMILES CCN(CC)C(=O)c1[nH]c2C[C@]3(CCN(CC)C[C@@H]3Cc2c1C)c1cccc(O)c1
Show InChI InChI=1S/C25H35N3O2/c1-5-27-12-11-25(18-9-8-10-20(29)13-18)15-22-21(14-19(25)16-27)17(4)23(26-22)24(30)28(6-2)7-3/h8-10,13,19,26,29H,5-7,11-12,14-16H2,1-4H3/t19-,25+/m0/s1
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1.34E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against Kappa opioid receptor using [3H]U-69593 radioligand in mouse brain homogenates


Bioorg Med Chem Lett 7: 2967-2972 (1997)


Article DOI: 10.1016/S0960-894X(97)10119-6
More data for this
Ligand-Target Pair
Opioid receptor


(MOUSE)
BDBM50061061
PNG
((4aR,8aS)-6-Ethyl-8a-(3-hydroxy-phenyl)-3-methyl-4...)
Show SMILES CCN(CC)C(=O)c1[nH]c2C[C@]3(CCN(CC)C[C@@H]3Cc2c1C)c1cccc(O)c1
Show InChI InChI=1S/C25H35N3O2/c1-5-27-12-11-25(18-9-8-10-20(29)13-18)15-22-21(14-19(25)16-27)17(4)23(26-22)24(30)28(6-2)7-3/h8-10,13,19,26,29H,5-7,11-12,14-16H2,1-4H3/t19-,25+/m0/s1
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3.54E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




Bioorg Med Chem Lett 7: 2967-2972 (1997)


Article DOI: 10.1016/S0960-894X(97)10119-6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50061061
PNG
((4aR,8aS)-6-Ethyl-8a-(3-hydroxy-phenyl)-3-methyl-4...)
Show SMILES CCN(CC)C(=O)c1[nH]c2C[C@]3(CCN(CC)C[C@@H]3Cc2c1C)c1cccc(O)c1
Show InChI InChI=1S/C25H35N3O2/c1-5-27-12-11-25(18-9-8-10-20(29)13-18)15-22-21(14-19(25)16-27)17(4)23(26-22)24(30)28(6-2)7-3/h8-10,13,19,26,29H,5-7,11-12,14-16H2,1-4H3/t19-,25+/m0/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
inhibition of [3H]DADLE binding to delta-opioid receptor of mouse brain homogenates


Bioorg Med Chem Lett 7: 2967-2972 (1997)


Article DOI: 10.1016/S0960-894X(97)10119-6
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%