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PubMed code 2549247

Compile data set for download or QSAR
Found 39 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
Mu-type opioid receptor


(MOUSE)
BDBM50017233
PNG
(CHEMBL592 | LEVO-DROMORAN | LEVORPHANOL)
Show SMILES CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc31 |r,TLB:0:1:12.18.11:9|
Show InChI InChI=1S/C17H23NO/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17/h5-6,11,14,16,19H,2-4,7-10H2,1H3/t14-,16+,17+/m0/s1
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0.300n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Binding affinity for mouse opioid receptor mu


J Med Chem 32: 2221-6 (1989)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50017231
PNG
((4aS,9aR)-4a-Ethyl-2-phenethyl-1,2,3,4,4a,9a-hexah...)
Show SMILES CC[C@@]12CCN(CCc3ccccc3)C[C@@H]1Oc1ccc(O)cc21
Show InChI InChI=1S/C21H25NO2/c1-2-21-11-13-22(12-10-16-6-4-3-5-7-16)15-20(21)24-19-9-8-17(23)14-18(19)21/h3-9,14,20,23H,2,10-13,15H2,1H3/t20-,21-/m0/s1
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0.900n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Binding affinity for mouse opioid receptor mu


J Med Chem 32: 2221-6 (1989)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50017232
PNG
(3-Cyclopropylmethyl-5-ethyl-8-hydroxy-11-methyl-3,...)
Show SMILES CCC1CN(CC2CC2)C2C(C)C1c1cc(O)ccc1C2=O |TLB:11:10:20.13.19:4.2.3|
Show InChI InChI=1S/C19H25NO2/c1-3-13-10-20(9-12-4-5-12)18-11(2)17(13)16-8-14(21)6-7-15(16)19(18)22/h6-8,11-13,17-18,21H,3-5,9-10H2,1-2H3
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1.30n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Binding affinity for mouse opioid receptor mu


J Med Chem 32: 2221-6 (1989)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Mus musculus (Mouse))
BDBM50017233
PNG
(CHEMBL592 | LEVO-DROMORAN | LEVORPHANOL)
Show SMILES CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc31 |r,TLB:0:1:12.18.11:9|
Show InChI InChI=1S/C17H23NO/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17/h5-6,11,14,16,19H,2-4,7-10H2,1H3/t14-,16+,17+/m0/s1
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1.90n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Binding affinity for mouse sigma opioid receptor


J Med Chem 32: 2221-6 (1989)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Mus musculus (Mouse))
BDBM50017232
PNG
(3-Cyclopropylmethyl-5-ethyl-8-hydroxy-11-methyl-3,...)
Show SMILES CCC1CN(CC2CC2)C2C(C)C1c1cc(O)ccc1C2=O |TLB:11:10:20.13.19:4.2.3|
Show InChI InChI=1S/C19H25NO2/c1-3-13-10-20(9-12-4-5-12)18-11(2)17(13)16-8-14(21)6-7-15(16)19(18)22/h6-8,11-13,17-18,21H,3-5,9-10H2,1-2H3
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2.30n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Binding affinity for mouse sigma opioid receptor


J Med Chem 32: 2221-6 (1989)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50017238
PNG
((4aS,9aR)-2-Cyclopropylmethyl-4a-ethyl-1,2,3,4,4a,...)
Show SMILES CC[C@@]12CCN(CC3CC3)C[C@@H]1Oc1ccc(O)cc21
Show InChI InChI=1S/C17H23NO2/c1-2-17-7-8-18(10-12-3-4-12)11-16(17)20-15-6-5-13(19)9-14(15)17/h5-6,9,12,16,19H,2-4,7-8,10-11H2,1H3/t16-,17-/m0/s1
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4n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Binding affinity for mouse opioid receptor mu


J Med Chem 32: 2221-6 (1989)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50017232
PNG
(3-Cyclopropylmethyl-5-ethyl-8-hydroxy-11-methyl-3,...)
Show SMILES CCC1CN(CC2CC2)C2C(C)C1c1cc(O)ccc1C2=O |TLB:11:10:20.13.19:4.2.3|
Show InChI InChI=1S/C19H25NO2/c1-3-13-10-20(9-12-4-5-12)18-11(2)17(13)16-8-14(21)6-7-15(16)19(18)22/h6-8,11-13,17-18,21H,3-5,9-10H2,1-2H3
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6n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Binding affinity for mouse opioid receptor kappa


J Med Chem 32: 2221-6 (1989)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Mus musculus (Mouse))
BDBM50017231
PNG
((4aS,9aR)-4a-Ethyl-2-phenethyl-1,2,3,4,4a,9a-hexah...)
Show SMILES CC[C@@]12CCN(CCc3ccccc3)C[C@@H]1Oc1ccc(O)cc21
Show InChI InChI=1S/C21H25NO2/c1-2-21-11-13-22(12-10-16-6-4-3-5-7-16)15-20(21)24-19-9-8-17(23)14-18(19)21/h3-9,14,20,23H,2,10-13,15H2,1H3/t20-,21-/m0/s1
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8n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Binding affinity for mouse sigma opioid receptor


J Med Chem 32: 2221-6 (1989)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50017233
PNG
(CHEMBL592 | LEVO-DROMORAN | LEVORPHANOL)
Show SMILES CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc31 |r,TLB:0:1:12.18.11:9|
Show InChI InChI=1S/C17H23NO/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17/h5-6,11,14,16,19H,2-4,7-10H2,1H3/t14-,16+,17+/m0/s1
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10n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Binding affinity for mouse opioid receptor kappa


J Med Chem 32: 2221-6 (1989)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50017234
PNG
((4aS,9aR)-2-Cyclobutylmethyl-4a-ethyl-1,2,3,4,4a,9...)
Show SMILES CC[C@@]12CCN(CC3CCC3)C[C@@H]1Oc1ccc(O)cc21
Show InChI InChI=1S/C18H25NO2/c1-2-18-8-9-19(11-13-4-3-5-13)12-17(18)21-16-7-6-14(20)10-15(16)18/h6-7,10,13,17,20H,2-5,8-9,11-12H2,1H3/t17-,18-/m0/s1
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17n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Binding affinity for mouse opioid receptor mu


J Med Chem 32: 2221-6 (1989)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50017236
PNG
((4aS,9aR)-4a-Ethyl-2-methyl-1,2,3,4,4a,9a-hexahydr...)
Show SMILES CC[C@@]12CCN(C)C[C@@H]1Oc1ccc(O)cc21
Show InChI InChI=1S/C14H19NO2/c1-3-14-6-7-15(2)9-13(14)17-12-5-4-10(16)8-11(12)14/h4-5,8,13,16H,3,6-7,9H2,1-2H3/t13-,14-/m0/s1
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19n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Binding affinity for mouse opioid receptor mu


J Med Chem 32: 2221-6 (1989)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50017237
PNG
((4aS,9aR)-4a-Ethyl-2-propyl-1,2,3,4,4a,9a-hexahydr...)
Show SMILES CCCN1CC[C@]2(CC)[C@H](C1)Oc1ccc(O)cc21
Show InChI InChI=1S/C16H23NO2/c1-3-8-17-9-7-16(4-2)13-10-12(18)5-6-14(13)19-15(16)11-17/h5-6,10,15,18H,3-4,7-9,11H2,1-2H3/t15-,16-/m0/s1
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30n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Binding affinity for mouse opioid receptor mu


J Med Chem 32: 2221-6 (1989)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50017239
PNG
((4aS,9aR)-4a-Ethyl-2-furan-3-ylmethyl-1,2,3,4,4a,9...)
Show SMILES CC[C@@]12CCN(Cc3ccoc3)C[C@@H]1Oc1ccc(O)cc21
Show InChI InChI=1S/C18H21NO3/c1-2-18-6-7-19(10-13-5-8-21-12-13)11-17(18)22-16-4-3-14(20)9-15(16)18/h3-5,8-9,12,17,20H,2,6-7,10-11H2,1H3/t17-,18-/m0/s1
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31n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Binding affinity for mouse opioid receptor mu


J Med Chem 32: 2221-6 (1989)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50017238
PNG
((4aS,9aR)-2-Cyclopropylmethyl-4a-ethyl-1,2,3,4,4a,...)
Show SMILES CC[C@@]12CCN(CC3CC3)C[C@@H]1Oc1ccc(O)cc21
Show InChI InChI=1S/C17H23NO2/c1-2-17-7-8-18(10-12-3-4-12)11-16(17)20-15-6-5-13(19)9-14(15)17/h5-6,9,12,16,19H,2-4,7-8,10-11H2,1H3/t16-,17-/m0/s1
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34n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Binding affinity for mouse opioid receptor kappa


J Med Chem 32: 2221-6 (1989)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50017240
PNG
((4aS,9aR)-2-Cyclopentylmethyl-4a-ethyl-1,2,3,4,4a,...)
Show SMILES CC[C@@]12CCN(CC3CCCC3)C[C@@H]1Oc1ccc(O)cc21
Show InChI InChI=1S/C19H27NO2/c1-2-19-9-10-20(12-14-5-3-4-6-14)13-18(19)22-17-8-7-15(21)11-16(17)19/h7-8,11,14,18,21H,2-6,9-10,12-13H2,1H3/t18-,19-/m0/s1
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50n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Binding affinity for mouse opioid receptor mu


J Med Chem 32: 2221-6 (1989)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Mus musculus (Mouse))
BDBM50017238
PNG
((4aS,9aR)-2-Cyclopropylmethyl-4a-ethyl-1,2,3,4,4a,...)
Show SMILES CC[C@@]12CCN(CC3CC3)C[C@@H]1Oc1ccc(O)cc21
Show InChI InChI=1S/C17H23NO2/c1-2-17-7-8-18(10-12-3-4-12)11-16(17)20-15-6-5-13(19)9-14(15)17/h5-6,9,12,16,19H,2-4,7-8,10-11H2,1H3/t16-,17-/m0/s1
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53n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Binding affinity for mouse sigma opioid receptor


J Med Chem 32: 2221-6 (1989)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50017235
PNG
((4aS,9aR)-4a-Ethyl-2-(tetrahydro-furan-2-ylmethyl)...)
Show SMILES CC[C@@]12CCN(CC3CCCO3)C[C@@H]1Oc1ccc(O)cc21
Show InChI InChI=1S/C18H25NO3/c1-2-18-7-8-19(11-14-4-3-9-21-14)12-17(18)22-16-6-5-13(20)10-15(16)18/h5-6,10,14,17,20H,2-4,7-9,11-12H2,1H3/t14?,17-,18-/m0/s1
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73n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Binding affinity for mouse opioid receptor mu


J Med Chem 32: 2221-6 (1989)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50017241
PNG
((4aS,9aR)-4a-Ethyl-2-furan-2-ylmethyl-1,2,3,4,4a,9...)
Show SMILES CC[C@@]12CCN(Cc3ccco3)C[C@@H]1Oc1ccc(O)cc21
Show InChI InChI=1S/C18H21NO3/c1-2-18-7-8-19(11-14-4-3-9-21-14)12-17(18)22-16-6-5-13(20)10-15(16)18/h3-6,9-10,17,20H,2,7-8,11-12H2,1H3/t17-,18-/m0/s1
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99n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Binding affinity for mouse opioid receptor mu


J Med Chem 32: 2221-6 (1989)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Mus musculus (Mouse))
BDBM50017239
PNG
((4aS,9aR)-4a-Ethyl-2-furan-3-ylmethyl-1,2,3,4,4a,9...)
Show SMILES CC[C@@]12CCN(Cc3ccoc3)C[C@@H]1Oc1ccc(O)cc21
Show InChI InChI=1S/C18H21NO3/c1-2-18-6-7-19(10-13-5-8-21-12-13)11-17(18)22-16-4-3-14(20)9-15(16)18/h3-5,8-9,12,17,20H,2,6-7,10-11H2,1H3/t17-,18-/m0/s1
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115n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Binding affinity for mouse sigma opioid receptor


J Med Chem 32: 2221-6 (1989)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50017242
PNG
((4aS,9aR)-4a-Ethyl-2,9a-dimethyl-1,2,3,4,4a,9a-hex...)
Show SMILES CC[C@@]12CCN(C)C[C@]1(C)Oc1ccc(O)cc21
Show InChI InChI=1S/C15H21NO2/c1-4-15-7-8-16(3)10-14(15,2)18-13-6-5-11(17)9-12(13)15/h5-6,9,17H,4,7-8,10H2,1-3H3/t14-,15-/m0/s1
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126n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Binding affinity for mouse opioid receptor mu


J Med Chem 32: 2221-6 (1989)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50017239
PNG
((4aS,9aR)-4a-Ethyl-2-furan-3-ylmethyl-1,2,3,4,4a,9...)
Show SMILES CC[C@@]12CCN(Cc3ccoc3)C[C@@H]1Oc1ccc(O)cc21
Show InChI InChI=1S/C18H21NO3/c1-2-18-6-7-19(10-13-5-8-21-12-13)11-17(18)22-16-4-3-14(20)9-15(16)18/h3-5,8-9,12,17,20H,2,6-7,10-11H2,1H3/t17-,18-/m0/s1
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190n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Binding affinity for mouse opioid receptor kappa


J Med Chem 32: 2221-6 (1989)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Mus musculus (Mouse))
BDBM50017236
PNG
((4aS,9aR)-4a-Ethyl-2-methyl-1,2,3,4,4a,9a-hexahydr...)
Show SMILES CC[C@@]12CCN(C)C[C@@H]1Oc1ccc(O)cc21
Show InChI InChI=1S/C14H19NO2/c1-3-14-6-7-15(2)9-13(14)17-12-5-4-10(16)8-11(12)14/h4-5,8,13,16H,3,6-7,9H2,1-2H3/t13-,14-/m0/s1
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212n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Binding affinity for mouse sigma opioid receptor


J Med Chem 32: 2221-6 (1989)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Mus musculus (Mouse))
BDBM50017237
PNG
((4aS,9aR)-4a-Ethyl-2-propyl-1,2,3,4,4a,9a-hexahydr...)
Show SMILES CCCN1CC[C@]2(CC)[C@H](C1)Oc1ccc(O)cc21
Show InChI InChI=1S/C16H23NO2/c1-3-8-17-9-7-16(4-2)13-10-12(18)5-6-14(13)19-15(16)11-17/h5-6,10,15,18H,3-4,7-9,11H2,1-2H3/t15-,16-/m0/s1
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231n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Binding affinity for mouse sigma opioid receptor


J Med Chem 32: 2221-6 (1989)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50017234
PNG
((4aS,9aR)-2-Cyclobutylmethyl-4a-ethyl-1,2,3,4,4a,9...)
Show SMILES CC[C@@]12CCN(CC3CCC3)C[C@@H]1Oc1ccc(O)cc21
Show InChI InChI=1S/C18H25NO2/c1-2-18-8-9-19(11-13-4-3-5-13)12-17(18)21-16-7-6-14(20)10-15(16)18/h6-7,10,13,17,20H,2-5,8-9,11-12H2,1H3/t17-,18-/m0/s1
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270n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Binding affinity for mouse opioid receptor kappa


J Med Chem 32: 2221-6 (1989)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50017237
PNG
((4aS,9aR)-4a-Ethyl-2-propyl-1,2,3,4,4a,9a-hexahydr...)
Show SMILES CCCN1CC[C@]2(CC)[C@H](C1)Oc1ccc(O)cc21
Show InChI InChI=1S/C16H23NO2/c1-3-8-17-9-7-16(4-2)13-10-12(18)5-6-14(13)19-15(16)11-17/h5-6,10,15,18H,3-4,7-9,11H2,1-2H3/t15-,16-/m0/s1
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335n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Binding affinity for mouse opioid receptor kappa


J Med Chem 32: 2221-6 (1989)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Mus musculus (Mouse))
BDBM50017240
PNG
((4aS,9aR)-2-Cyclopentylmethyl-4a-ethyl-1,2,3,4,4a,...)
Show SMILES CC[C@@]12CCN(CC3CCCC3)C[C@@H]1Oc1ccc(O)cc21
Show InChI InChI=1S/C19H27NO2/c1-2-19-9-10-20(12-14-5-3-4-6-14)13-18(19)22-17-8-7-15(21)11-16(17)19/h7-8,11,14,18,21H,2-6,9-10,12-13H2,1H3/t18-,19-/m0/s1
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340n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Binding affinity for mouse sigma opioid receptor


J Med Chem 32: 2221-6 (1989)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Mus musculus (Mouse))
BDBM50017234
PNG
((4aS,9aR)-2-Cyclobutylmethyl-4a-ethyl-1,2,3,4,4a,9...)
Show SMILES CC[C@@]12CCN(CC3CCC3)C[C@@H]1Oc1ccc(O)cc21
Show InChI InChI=1S/C18H25NO2/c1-2-18-8-9-19(11-13-4-3-5-13)12-17(18)21-16-7-6-14(20)10-15(16)18/h6-7,10,13,17,20H,2-5,8-9,11-12H2,1H3/t17-,18-/m0/s1
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410n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Binding affinity for mouse sigma opioid receptor


J Med Chem 32: 2221-6 (1989)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Mus musculus (Mouse))
BDBM50017235
PNG
((4aS,9aR)-4a-Ethyl-2-(tetrahydro-furan-2-ylmethyl)...)
Show SMILES CC[C@@]12CCN(CC3CCCO3)C[C@@H]1Oc1ccc(O)cc21
Show InChI InChI=1S/C18H25NO3/c1-2-18-7-8-19(11-14-4-3-9-21-14)12-17(18)22-16-6-5-13(20)10-15(16)18/h5-6,10,14,17,20H,2-4,7-9,11-12H2,1H3/t14?,17-,18-/m0/s1
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474n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Binding affinity for mouse sigma opioid receptor


J Med Chem 32: 2221-6 (1989)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Mus musculus (Mouse))
BDBM50017242
PNG
((4aS,9aR)-4a-Ethyl-2,9a-dimethyl-1,2,3,4,4a,9a-hex...)
Show SMILES CC[C@@]12CCN(C)C[C@]1(C)Oc1ccc(O)cc21
Show InChI InChI=1S/C15H21NO2/c1-4-15-7-8-16(3)10-14(15,2)18-13-6-5-11(17)9-12(13)15/h5-6,9,17H,4,7-8,10H2,1-3H3/t14-,15-/m0/s1
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481n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Binding affinity for mouse sigma opioid receptor


J Med Chem 32: 2221-6 (1989)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50017240
PNG
((4aS,9aR)-2-Cyclopentylmethyl-4a-ethyl-1,2,3,4,4a,...)
Show SMILES CC[C@@]12CCN(CC3CCCC3)C[C@@H]1Oc1ccc(O)cc21
Show InChI InChI=1S/C19H27NO2/c1-2-19-9-10-20(12-14-5-3-4-6-14)13-18(19)22-17-8-7-15(21)11-16(17)19/h7-8,11,14,18,21H,2-6,9-10,12-13H2,1H3/t18-,19-/m0/s1
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550n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Binding affinity for mouse opioid receptor kappa


J Med Chem 32: 2221-6 (1989)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Mus musculus (Mouse))
BDBM50017241
PNG
((4aS,9aR)-4a-Ethyl-2-furan-2-ylmethyl-1,2,3,4,4a,9...)
Show SMILES CC[C@@]12CCN(Cc3ccco3)C[C@@H]1Oc1ccc(O)cc21
Show InChI InChI=1S/C18H21NO3/c1-2-18-7-8-19(11-14-4-3-9-21-14)12-17(18)22-16-6-5-13(20)10-15(16)18/h3-6,9-10,17,20H,2,7-8,11-12H2,1H3/t17-,18-/m0/s1
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571n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Binding affinity for mouse sigma opioid receptor


J Med Chem 32: 2221-6 (1989)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50017241
PNG
((4aS,9aR)-4a-Ethyl-2-furan-2-ylmethyl-1,2,3,4,4a,9...)
Show SMILES CC[C@@]12CCN(Cc3ccco3)C[C@@H]1Oc1ccc(O)cc21
Show InChI InChI=1S/C18H21NO3/c1-2-18-7-8-19(11-14-4-3-9-21-14)12-17(18)22-16-6-5-13(20)10-15(16)18/h3-6,9-10,17,20H,2,7-8,11-12H2,1H3/t17-,18-/m0/s1
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1.50E+3n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Binding affinity for mouse opioid receptor kappa


J Med Chem 32: 2221-6 (1989)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50017231
PNG
((4aS,9aR)-4a-Ethyl-2-phenethyl-1,2,3,4,4a,9a-hexah...)
Show SMILES CC[C@@]12CCN(CCc3ccccc3)C[C@@H]1Oc1ccc(O)cc21
Show InChI InChI=1S/C21H25NO2/c1-2-21-11-13-22(12-10-16-6-4-3-5-7-16)15-20(21)24-19-9-8-17(23)14-18(19)21/h3-9,14,20,23H,2,10-13,15H2,1H3/t20-,21-/m0/s1
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2.00E+3n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Binding affinity for mouse opioid receptor kappa


J Med Chem 32: 2221-6 (1989)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50017242
PNG
((4aS,9aR)-4a-Ethyl-2,9a-dimethyl-1,2,3,4,4a,9a-hex...)
Show SMILES CC[C@@]12CCN(C)C[C@]1(C)Oc1ccc(O)cc21
Show InChI InChI=1S/C15H21NO2/c1-4-15-7-8-16(3)10-14(15,2)18-13-6-5-11(17)9-12(13)15/h5-6,9,17H,4,7-8,10H2,1-3H3/t14-,15-/m0/s1
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2.60E+3n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Binding affinity for mouse opioid receptor kappa


J Med Chem 32: 2221-6 (1989)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50452655
PNG
(CHEMBL2114080)
Show SMILES [H][C@]12CN(CCC)CC[C@@]1(CC)c1cc(OC)ccc1O2
Show InChI InChI=1S/C17H25NO2/c1-4-9-18-10-8-17(5-2)14-11-13(19-3)6-7-15(14)20-16(17)12-18/h6-7,11,16H,4-5,8-10,12H2,1-3H3/t16-,17-/m0/s1
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2.88E+3n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Binding affinity for mouse opioid receptor mu


J Med Chem 32: 2221-6 (1989)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50017235
PNG
((4aS,9aR)-4a-Ethyl-2-(tetrahydro-furan-2-ylmethyl)...)
Show SMILES CC[C@@]12CCN(CC3CCCO3)C[C@@H]1Oc1ccc(O)cc21
Show InChI InChI=1S/C18H25NO3/c1-2-18-7-8-19(11-14-4-3-9-21-14)12-17(18)22-16-6-5-13(20)10-15(16)18/h5-6,10,14,17,20H,2-4,7-9,11-12H2,1H3/t14?,17-,18-/m0/s1
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3.50E+3n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Binding affinity for mouse opioid receptor kappa


J Med Chem 32: 2221-6 (1989)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50452655
PNG
(CHEMBL2114080)
Show SMILES [H][C@]12CN(CCC)CC[C@@]1(CC)c1cc(OC)ccc1O2
Show InChI InChI=1S/C17H25NO2/c1-4-9-18-10-8-17(5-2)14-11-13(19-3)6-7-15(14)20-16(17)12-18/h6-7,11,16H,4-5,8-10,12H2,1-3H3/t16-,17-/m0/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Binding affinity for mouse opioid receptor kappa


J Med Chem 32: 2221-6 (1989)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50017236
PNG
((4aS,9aR)-4a-Ethyl-2-methyl-1,2,3,4,4a,9a-hexahydr...)
Show SMILES CC[C@@]12CCN(C)C[C@@H]1Oc1ccc(O)cc21
Show InChI InChI=1S/C14H19NO2/c1-3-14-6-7-15(2)9-13(14)17-12-5-4-10(16)8-11(12)14/h4-5,8,13,16H,3,6-7,9H2,1-2H3/t13-,14-/m0/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Binding affinity for mouse opioid receptor kappa


J Med Chem 32: 2221-6 (1989)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Mus musculus (Mouse))
BDBM50452655
PNG
(CHEMBL2114080)
Show SMILES [H][C@]12CN(CCC)CC[C@@]1(CC)c1cc(OC)ccc1O2
Show InChI InChI=1S/C17H25NO2/c1-4-9-18-10-8-17(5-2)14-11-13(19-3)6-7-15(14)20-16(17)12-18/h6-7,11,16H,4-5,8-10,12H2,1-3H3/t16-,17-/m0/s1
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>6.40E+3n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Binding affinity for mouse sigma opioid receptor


J Med Chem 32: 2221-6 (1989)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%