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Compile Data Set for Download or QSAR

Found 60 hits Enz. Inhib. hit(s) with all data for entry = 50039291   
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))
BDBM50326663
PNG
(CHEMBL1255022)
Show SMILES CCO[C@]12CCC(=O)[C@]3(C)Oc4c5c(C[C@H]1N(C)CC[C@@]235)ccc4O |r|
Show InChI InChI=1S/C20H25NO4/c1-4-24-20-8-7-15(23)18(2)19(20)9-10-21(3)14(20)11-12-5-6-13(22)17(25-18)16(12)19/h5-6,14,22H,4,7-11H2,1-3H3/t14-,18+,19+,20-/m1/s1
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0.100n/an/an/an/an/an/an/an/a



University of Innsbruck and Center for Molecular Biosciences Innsbruck-CMBI

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane


Bioorg Med Chem 18: 5071-80 (2010)


Article DOI: 10.1016/j.bmc.2010.05.071
BindingDB Entry DOI: 10.7270/Q2XP75XQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50326661
PNG
(CHEMBL1254018 | CHEMBL1254291)
Show SMILES Oc1ccc(O)c2c1C[C@@H]1[C@@H]3CCC(=O)C[C@]23CCN1C=O |r|
Show InChI InChI=1S/C17H19NO4/c19-9-18-6-5-17-8-10(20)1-2-12(17)13(18)7-11-14(21)3-4-15(22)16(11)17/h3-4,9,12-13,21-22H,1-2,5-8H2/t12-,13+,17-/m0/s1
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0.460n/an/an/an/an/an/an/an/a



University of Innsbruck and Center for Molecular Biosciences Innsbruck-CMBI

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane


Bioorg Med Chem 18: 5071-80 (2010)


Article DOI: 10.1016/j.bmc.2010.05.071
BindingDB Entry DOI: 10.7270/Q2XP75XQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50326659
PNG
(3,10-dimethoxy-17-methyl-(10S)-17-azatetracyclo[7....)
Show SMILES COc1cccc2C[C@H]3N(C)CC[C@@]4(CC(=O)CC[C@@]34OC)c12 |r|
Show InChI InChI=1S/C19H25NO3/c1-20-10-9-18-12-14(21)7-8-19(18,23-3)16(20)11-13-5-4-6-15(22-2)17(13)18/h4-6,16H,7-12H2,1-3H3/t16-,18-,19-/m1/s1
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1.15n/an/an/an/an/an/an/an/a



University of Innsbruck and Center for Molecular Biosciences Innsbruck-CMBI

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane


Bioorg Med Chem 18: 5071-80 (2010)


Article DOI: 10.1016/j.bmc.2010.05.071
BindingDB Entry DOI: 10.7270/Q2XP75XQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50326660
PNG
((-)-N-Allyl-4,14-dimethoxymorphinan-6-one | CHEMBL...)
Show SMILES COc1cccc2C[C@H]3N(CC=C)CC[C@@]4(CC(=O)CC[C@@]34OC)c12 |r|
Show InChI InChI=1S/C21H27NO3/c1-4-11-22-12-10-20-14-16(23)8-9-21(20,25-3)18(22)13-15-6-5-7-17(24-2)19(15)20/h4-7,18H,1,8-14H2,2-3H3/t18-,20-,21-/m1/s1
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2n/an/an/an/an/an/an/an/a



University of Innsbruck and Center for Molecular Biosciences Innsbruck-CMBI

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane


Bioorg Med Chem 18: 5071-80 (2010)


Article DOI: 10.1016/j.bmc.2010.05.071
BindingDB Entry DOI: 10.7270/Q2XP75XQ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50326663
PNG
(CHEMBL1255022)
Show SMILES CCO[C@]12CCC(=O)[C@]3(C)Oc4c5c(C[C@H]1N(C)CC[C@@]235)ccc4O |r|
Show InChI InChI=1S/C20H25NO4/c1-4-24-20-8-7-15(23)18(2)19(20)9-10-21(3)14(20)11-12-5-6-13(22)17(25-18)16(12)19/h5-6,14,22H,4,7-11H2,1-3H3/t14-,18+,19+,20-/m1/s1
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4.80n/an/an/an/an/an/an/an/a



University of Innsbruck and Center for Molecular Biosciences Innsbruck-CMBI

Curated by ChEMBL


Assay Description
Displacement of [3H][Ile5,6]deltorphin2 from delta opioid receptor in rat brain membrane


Bioorg Med Chem 18: 5071-80 (2010)


Article DOI: 10.1016/j.bmc.2010.05.071
BindingDB Entry DOI: 10.7270/Q2XP75XQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50326657
PNG
(CHEMBL1253927)
Show SMILES COc1cccc2C[C@@H]3[C@@H]4CCC(=O)C[C@]4(CCN3CC=C)c12 |r|
Show InChI InChI=1S/C20H25NO2/c1-3-10-21-11-9-20-13-15(22)7-8-16(20)17(21)12-14-5-4-6-18(23-2)19(14)20/h3-6,16-17H,1,7-13H2,2H3/t16-,17+,20-/m0/s1
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6.55n/an/an/an/an/an/an/an/a



University of Innsbruck and Center for Molecular Biosciences Innsbruck-CMBI

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane


Bioorg Med Chem 18: 5071-80 (2010)


Article DOI: 10.1016/j.bmc.2010.05.071
BindingDB Entry DOI: 10.7270/Q2XP75XQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50326663
PNG
(CHEMBL1255022)
Show SMILES CCO[C@]12CCC(=O)[C@]3(C)Oc4c5c(C[C@H]1N(C)CC[C@@]235)ccc4O |r|
Show InChI InChI=1S/C20H25NO4/c1-4-24-20-8-7-15(23)18(2)19(20)9-10-21(3)14(20)11-12-5-6-13(22)17(25-18)16(12)19/h5-6,14,22H,4,7-11H2,1-3H3/t14-,18+,19+,20-/m1/s1
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10.2n/an/an/an/an/an/an/an/a



University of Innsbruck and Center for Molecular Biosciences Innsbruck-CMBI

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig brain membrane


Bioorg Med Chem 18: 5071-80 (2010)


Article DOI: 10.1016/j.bmc.2010.05.071
BindingDB Entry DOI: 10.7270/Q2XP75XQ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50326661
PNG
(CHEMBL1254018 | CHEMBL1254291)
Show SMILES Oc1ccc(O)c2c1C[C@@H]1[C@@H]3CCC(=O)C[C@]23CCN1C=O |r|
Show InChI InChI=1S/C17H19NO4/c19-9-18-6-5-17-8-10(20)1-2-12(17)13(18)7-11-14(21)3-4-15(22)16(11)17/h3-4,9,12-13,21-22H,1-2,5-8H2/t12-,13+,17-/m0/s1
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12.2n/an/an/an/an/an/an/an/a



University of Innsbruck and Center for Molecular Biosciences Innsbruck-CMBI

Curated by ChEMBL


Assay Description
Displacement of [3H][Ile5,6]deltorphin2 from delta opioid receptor in rat brain membrane


Bioorg Med Chem 18: 5071-80 (2010)


Article DOI: 10.1016/j.bmc.2010.05.071
BindingDB Entry DOI: 10.7270/Q2XP75XQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50326658
PNG
(CHEMBL1253928)
Show SMILES CCO[C@@]12CCC(=O)C[C@@]11CCN(C)[C@@H]2Cc2cccc(O)c12 |r|
Show InChI InChI=1S/C19H25NO3/c1-3-23-19-8-7-14(21)12-18(19)9-10-20(2)16(19)11-13-5-4-6-15(22)17(13)18/h4-6,16,22H,3,7-12H2,1-2H3/t16-,18-,19-/m1/s1
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20.2n/an/an/an/an/an/an/an/a



University of Innsbruck and Center for Molecular Biosciences Innsbruck-CMBI

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane


Bioorg Med Chem 18: 5071-80 (2010)


Article DOI: 10.1016/j.bmc.2010.05.071
BindingDB Entry DOI: 10.7270/Q2XP75XQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50326658
PNG
(CHEMBL1253928)
Show SMILES CCO[C@@]12CCC(=O)C[C@@]11CCN(C)[C@@H]2Cc2cccc(O)c12 |r|
Show InChI InChI=1S/C19H25NO3/c1-3-23-19-8-7-14(21)12-18(19)9-10-20(2)16(19)11-13-5-4-6-15(22)17(13)18/h4-6,16,22H,3,7-12H2,1-2H3/t16-,18-,19-/m1/s1
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33.1n/an/an/an/an/an/an/an/a



University of Innsbruck and Center for Molecular Biosciences Innsbruck-CMBI

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig brain membrane


Bioorg Med Chem 18: 5071-80 (2010)


Article DOI: 10.1016/j.bmc.2010.05.071
BindingDB Entry DOI: 10.7270/Q2XP75XQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50326661
PNG
(CHEMBL1254018 | CHEMBL1254291)
Show SMILES Oc1ccc(O)c2c1C[C@@H]1[C@@H]3CCC(=O)C[C@]23CCN1C=O |r|
Show InChI InChI=1S/C17H19NO4/c19-9-18-6-5-17-8-10(20)1-2-12(17)13(18)7-11-14(21)3-4-15(22)16(11)17/h3-4,9,12-13,21-22H,1-2,5-8H2/t12-,13+,17-/m0/s1
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43.2n/an/an/an/an/an/an/an/a



University of Innsbruck and Center for Molecular Biosciences Innsbruck-CMBI

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig brain membrane


Bioorg Med Chem 18: 5071-80 (2010)


Article DOI: 10.1016/j.bmc.2010.05.071
BindingDB Entry DOI: 10.7270/Q2XP75XQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50326662
PNG
(10-hydroxy-17-methoxy-4-methyl-(13R,17S)-12-oxa-4-...)
Show SMILES CO[C@]12CCC(=O)[C@@H]3Oc4c5c(C[C@H]1N(C)CC[C@@]235)ccc4O |r|
Show InChI InChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-11(20)15(14)23-16(17)12(21)5-6-18(17,22-2)13(19)9-10/h3-4,13,16,20H,5-9H2,1-2H3/t13-,16+,17+,18-/m1/s1
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43.6n/an/an/an/an/an/an/an/a



University of Innsbruck and Center for Molecular Biosciences Innsbruck-CMBI

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane


Bioorg Med Chem 18: 5071-80 (2010)


Article DOI: 10.1016/j.bmc.2010.05.071
BindingDB Entry DOI: 10.7270/Q2XP75XQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50326661
PNG
(CHEMBL1254018 | CHEMBL1254291)
Show SMILES Oc1ccc(O)c2c1C[C@@H]1[C@@H]3CCC(=O)C[C@]23CCN1C=O |r|
Show InChI InChI=1S/C17H19NO4/c19-9-18-6-5-17-8-10(20)1-2-12(17)13(18)7-11-14(21)3-4-15(22)16(11)17/h3-4,9,12-13,21-22H,1-2,5-8H2/t12-,13+,17-/m0/s1
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67.2n/an/an/an/an/an/an/an/a



University of Innsbruck and Center for Molecular Biosciences Innsbruck-CMBI

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane


Bioorg Med Chem 18: 5071-80 (2010)


Article DOI: 10.1016/j.bmc.2010.05.071
BindingDB Entry DOI: 10.7270/Q2XP75XQ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50326659
PNG
(3,10-dimethoxy-17-methyl-(10S)-17-azatetracyclo[7....)
Show SMILES COc1cccc2C[C@H]3N(C)CC[C@@]4(CC(=O)CC[C@@]34OC)c12 |r|
Show InChI InChI=1S/C19H25NO3/c1-20-10-9-18-12-14(21)7-8-19(18,23-3)16(20)11-13-5-4-6-15(22-2)17(13)18/h4-6,16H,7-12H2,1-3H3/t16-,18-,19-/m1/s1
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101n/an/an/an/an/an/an/an/a



University of Innsbruck and Center for Molecular Biosciences Innsbruck-CMBI

Curated by ChEMBL


Assay Description
Displacement of [3H][Ile5,6]deltorphin2 from delta opioid receptor in rat brain membrane


Bioorg Med Chem 18: 5071-80 (2010)


Article DOI: 10.1016/j.bmc.2010.05.071
BindingDB Entry DOI: 10.7270/Q2XP75XQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50326657
PNG
(CHEMBL1253927)
Show SMILES COc1cccc2C[C@@H]3[C@@H]4CCC(=O)C[C@]4(CCN3CC=C)c12 |r|
Show InChI InChI=1S/C20H25NO2/c1-3-10-21-11-9-20-13-15(22)7-8-16(20)17(21)12-14-5-4-6-18(23-2)19(14)20/h3-6,16-17H,1,7-13H2,2H3/t16-,17+,20-/m0/s1
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113n/an/an/an/an/an/an/an/a



University of Innsbruck and Center for Molecular Biosciences Innsbruck-CMBI

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig brain membrane


Bioorg Med Chem 18: 5071-80 (2010)


Article DOI: 10.1016/j.bmc.2010.05.071
BindingDB Entry DOI: 10.7270/Q2XP75XQ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50326660
PNG
((-)-N-Allyl-4,14-dimethoxymorphinan-6-one | CHEMBL...)
Show SMILES COc1cccc2C[C@H]3N(CC=C)CC[C@@]4(CC(=O)CC[C@@]34OC)c12 |r|
Show InChI InChI=1S/C21H27NO3/c1-4-11-22-12-10-20-14-16(23)8-9-21(20,25-3)18(22)13-15-6-5-7-17(24-2)19(15)20/h4-7,18H,1,8-14H2,2-3H3/t18-,20-,21-/m1/s1
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210n/an/an/an/an/an/an/an/a



University of Innsbruck and Center for Molecular Biosciences Innsbruck-CMBI

Curated by ChEMBL


Assay Description
Displacement of [3H][Ile5,6]deltorphin2 from delta opioid receptor in rat brain membrane


Bioorg Med Chem 18: 5071-80 (2010)


Article DOI: 10.1016/j.bmc.2010.05.071
BindingDB Entry DOI: 10.7270/Q2XP75XQ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50326657
PNG
(CHEMBL1253927)
Show SMILES COc1cccc2C[C@@H]3[C@@H]4CCC(=O)C[C@]4(CCN3CC=C)c12 |r|
Show InChI InChI=1S/C20H25NO2/c1-3-10-21-11-9-20-13-15(22)7-8-16(20)17(21)12-14-5-4-6-18(23-2)19(14)20/h3-6,16-17H,1,7-13H2,2H3/t16-,17+,20-/m0/s1
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217n/an/an/an/an/an/an/an/a



University of Innsbruck and Center for Molecular Biosciences Innsbruck-CMBI

Curated by ChEMBL


Assay Description
Displacement of [3H][Ile5,6]deltorphin2 from delta opioid receptor in rat brain membrane


Bioorg Med Chem 18: 5071-80 (2010)


Article DOI: 10.1016/j.bmc.2010.05.071
BindingDB Entry DOI: 10.7270/Q2XP75XQ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50326658
PNG
(CHEMBL1253928)
Show SMILES CCO[C@@]12CCC(=O)C[C@@]11CCN(C)[C@@H]2Cc2cccc(O)c12 |r|
Show InChI InChI=1S/C19H25NO3/c1-3-23-19-8-7-14(21)12-18(19)9-10-20(2)16(19)11-13-5-4-6-15(22)17(13)18/h4-6,16,22H,3,7-12H2,1-2H3/t16-,18-,19-/m1/s1
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316n/an/an/an/an/an/an/an/a



University of Innsbruck and Center for Molecular Biosciences Innsbruck-CMBI

Curated by ChEMBL


Assay Description
Displacement of [3H][Ile5,6]deltorphin2 from delta opioid receptor in rat brain membrane


Bioorg Med Chem 18: 5071-80 (2010)


Article DOI: 10.1016/j.bmc.2010.05.071
BindingDB Entry DOI: 10.7270/Q2XP75XQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50326661
PNG
(CHEMBL1254018 | CHEMBL1254291)
Show SMILES Oc1ccc(O)c2c1C[C@@H]1[C@@H]3CCC(=O)C[C@]23CCN1C=O |r|
Show InChI InChI=1S/C17H19NO4/c19-9-18-6-5-17-8-10(20)1-2-12(17)13(18)7-11-14(21)3-4-15(22)16(11)17/h3-4,9,12-13,21-22H,1-2,5-8H2/t12-,13+,17-/m0/s1
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328n/an/an/an/an/an/an/an/a



University of Innsbruck and Center for Molecular Biosciences Innsbruck-CMBI

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig brain membrane


Bioorg Med Chem 18: 5071-80 (2010)


Article DOI: 10.1016/j.bmc.2010.05.071
BindingDB Entry DOI: 10.7270/Q2XP75XQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50326659
PNG
(3,10-dimethoxy-17-methyl-(10S)-17-azatetracyclo[7....)
Show SMILES COc1cccc2C[C@H]3N(C)CC[C@@]4(CC(=O)CC[C@@]34OC)c12 |r|
Show InChI InChI=1S/C19H25NO3/c1-20-10-9-18-12-14(21)7-8-19(18,23-3)16(20)11-13-5-4-6-15(22-2)17(13)18/h4-6,16H,7-12H2,1-3H3/t16-,18-,19-/m1/s1
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403n/an/an/an/an/an/an/an/a



University of Innsbruck and Center for Molecular Biosciences Innsbruck-CMBI

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig brain membrane


Bioorg Med Chem 18: 5071-80 (2010)


Article DOI: 10.1016/j.bmc.2010.05.071
BindingDB Entry DOI: 10.7270/Q2XP75XQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50326660
PNG
((-)-N-Allyl-4,14-dimethoxymorphinan-6-one | CHEMBL...)
Show SMILES COc1cccc2C[C@H]3N(CC=C)CC[C@@]4(CC(=O)CC[C@@]34OC)c12 |r|
Show InChI InChI=1S/C21H27NO3/c1-4-11-22-12-10-20-14-16(23)8-9-21(20,25-3)18(22)13-15-6-5-7-17(24-2)19(15)20/h4-7,18H,1,8-14H2,2-3H3/t18-,20-,21-/m1/s1
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567n/an/an/an/an/an/an/an/a



University of Innsbruck and Center for Molecular Biosciences Innsbruck-CMBI

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig brain membrane


Bioorg Med Chem 18: 5071-80 (2010)


Article DOI: 10.1016/j.bmc.2010.05.071
BindingDB Entry DOI: 10.7270/Q2XP75XQ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50326662
PNG
(10-hydroxy-17-methoxy-4-methyl-(13R,17S)-12-oxa-4-...)
Show SMILES CO[C@]12CCC(=O)[C@@H]3Oc4c5c(C[C@H]1N(C)CC[C@@]235)ccc4O |r|
Show InChI InChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-11(20)15(14)23-16(17)12(21)5-6-18(17,22-2)13(19)9-10/h3-4,13,16,20H,5-9H2,1-2H3/t13-,16+,17+,18-/m1/s1
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1.09E+3n/an/an/an/an/an/an/an/a



University of Innsbruck and Center for Molecular Biosciences Innsbruck-CMBI

Curated by ChEMBL


Assay Description
Displacement of [3H][Ile5,6]deltorphin2 from delta opioid receptor in rat brain membrane


Bioorg Med Chem 18: 5071-80 (2010)


Article DOI: 10.1016/j.bmc.2010.05.071
BindingDB Entry DOI: 10.7270/Q2XP75XQ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50326661
PNG
(CHEMBL1254018 | CHEMBL1254291)
Show SMILES Oc1ccc(O)c2c1C[C@@H]1[C@@H]3CCC(=O)C[C@]23CCN1C=O |r|
Show InChI InChI=1S/C17H19NO4/c19-9-18-6-5-17-8-10(20)1-2-12(17)13(18)7-11-14(21)3-4-15(22)16(11)17/h3-4,9,12-13,21-22H,1-2,5-8H2/t12-,13+,17-/m0/s1
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1.25E+3n/an/an/an/an/an/an/an/a



University of Innsbruck and Center for Molecular Biosciences Innsbruck-CMBI

Curated by ChEMBL


Assay Description
Displacement of [3H][Ile5,6]deltorphin2 from delta opioid receptor in rat brain membrane


Bioorg Med Chem 18: 5071-80 (2010)


Article DOI: 10.1016/j.bmc.2010.05.071
BindingDB Entry DOI: 10.7270/Q2XP75XQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50326666
PNG
(3-((6-methoxy-3,4,4a,5,6,7,8,8a-octahydroisoquinol...)
Show SMILES COC1CCC2C(CCN=C2Cc2cccc(O)c2)C1 |c:9|
Show InChI InChI=1S/C17H23NO2/c1-20-15-5-6-16-13(11-15)7-8-18-17(16)10-12-3-2-4-14(19)9-12/h2-4,9,13,15-16,19H,5-8,10-11H2,1H3
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2.32E+3n/an/an/an/an/an/an/an/a



University of Innsbruck and Center for Molecular Biosciences Innsbruck-CMBI

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane


Bioorg Med Chem 18: 5071-80 (2010)


Article DOI: 10.1016/j.bmc.2010.05.071
BindingDB Entry DOI: 10.7270/Q2XP75XQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50326662
PNG
(10-hydroxy-17-methoxy-4-methyl-(13R,17S)-12-oxa-4-...)
Show SMILES CO[C@]12CCC(=O)[C@@H]3Oc4c5c(C[C@H]1N(C)CC[C@@]235)ccc4O |r|
Show InChI InChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-11(20)15(14)23-16(17)12(21)5-6-18(17,22-2)13(19)9-10/h3-4,13,16,20H,5-9H2,1-2H3/t13-,16+,17+,18-/m1/s1
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2.66E+3n/an/an/an/an/an/an/an/a



University of Innsbruck and Center for Molecular Biosciences Innsbruck-CMBI

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig brain membrane


Bioorg Med Chem 18: 5071-80 (2010)


Article DOI: 10.1016/j.bmc.2010.05.071
BindingDB Entry DOI: 10.7270/Q2XP75XQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50370595
PNG
(OXYCODONE | Oxycontin | US1184575, oxycodone | US9...)
Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |TLB:20:21:16.5.6:8.11.10,THB:22:21:16.5.6:8.11.10|
Show InChI InChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3/t13-,16+,17+,18-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Innsbruck and Center for Molecular Biosciences Innsbruck-CMBI

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane


Bioorg Med Chem 18: 5071-80 (2010)


Article DOI: 10.1016/j.bmc.2010.05.071
BindingDB Entry DOI: 10.7270/Q2XP75XQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50326667
PNG
(2-((6-methoxy-1,2,3,4,5,8-hexahydroisoquinolin-1-y...)
Show SMILES COC1=CCC2=C(CCNC2Cc2ccccc2O)C1 |t:2,5|
Show InChI InChI=1S/C17H21NO2/c1-20-14-6-7-15-12(10-14)8-9-18-16(15)11-13-4-2-3-5-17(13)19/h2-6,16,18-19H,7-11H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Innsbruck and Center for Molecular Biosciences Innsbruck-CMBI

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig brain membrane


Bioorg Med Chem 18: 5071-80 (2010)


Article DOI: 10.1016/j.bmc.2010.05.071
BindingDB Entry DOI: 10.7270/Q2XP75XQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50326666
PNG
(3-((6-methoxy-3,4,4a,5,6,7,8,8a-octahydroisoquinol...)
Show SMILES COC1CCC2C(CCN=C2Cc2cccc(O)c2)C1 |c:9|
Show InChI InChI=1S/C17H23NO2/c1-20-15-5-6-16-13(11-15)7-8-18-17(16)10-12-3-2-4-14(19)9-12/h2-4,9,13,15-16,19H,5-8,10-11H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Innsbruck and Center for Molecular Biosciences Innsbruck-CMBI

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig brain membrane


Bioorg Med Chem 18: 5071-80 (2010)


Article DOI: 10.1016/j.bmc.2010.05.071
BindingDB Entry DOI: 10.7270/Q2XP75XQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50326667
PNG
(2-((6-methoxy-1,2,3,4,5,8-hexahydroisoquinolin-1-y...)
Show SMILES COC1=CCC2=C(CCNC2Cc2ccccc2O)C1 |t:2,5|
Show InChI InChI=1S/C17H21NO2/c1-20-14-6-7-15-12(10-14)8-9-18-16(15)11-13-4-2-3-5-17(13)19/h2-6,16,18-19H,7-11H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Innsbruck and Center for Molecular Biosciences Innsbruck-CMBI

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane


Bioorg Med Chem 18: 5071-80 (2010)


Article DOI: 10.1016/j.bmc.2010.05.071
BindingDB Entry DOI: 10.7270/Q2XP75XQ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50326667
PNG
(2-((6-methoxy-1,2,3,4,5,8-hexahydroisoquinolin-1-y...)
Show SMILES COC1=CCC2=C(CCNC2Cc2ccccc2O)C1 |t:2,5|
Show InChI InChI=1S/C17H21NO2/c1-20-14-6-7-15-12(10-14)8-9-18-16(15)11-13-4-2-3-5-17(13)19/h2-6,16,18-19H,7-11H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Innsbruck and Center for Molecular Biosciences Innsbruck-CMBI

Curated by ChEMBL


Assay Description
Displacement of [3H][Ile5,6]deltorphin2 from delta opioid receptor in rat brain membrane


Bioorg Med Chem 18: 5071-80 (2010)


Article DOI: 10.1016/j.bmc.2010.05.071
BindingDB Entry DOI: 10.7270/Q2XP75XQ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50326666
PNG
(3-((6-methoxy-3,4,4a,5,6,7,8,8a-octahydroisoquinol...)
Show SMILES COC1CCC2C(CCN=C2Cc2cccc(O)c2)C1 |c:9|
Show InChI InChI=1S/C17H23NO2/c1-20-15-5-6-16-13(11-15)7-8-18-17(16)10-12-3-2-4-14(19)9-12/h2-4,9,13,15-16,19H,5-8,10-11H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Innsbruck and Center for Molecular Biosciences Innsbruck-CMBI

Curated by ChEMBL


Assay Description
Displacement of [3H][Ile5,6]deltorphin2 from delta opioid receptor in rat brain membrane


Bioorg Med Chem 18: 5071-80 (2010)


Article DOI: 10.1016/j.bmc.2010.05.071
BindingDB Entry DOI: 10.7270/Q2XP75XQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50000092
PNG
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1|
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Innsbruck and Center for Molecular Biosciences Innsbruck-CMBI

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig brain membrane


Bioorg Med Chem 18: 5071-80 (2010)


Article DOI: 10.1016/j.bmc.2010.05.071
BindingDB Entry DOI: 10.7270/Q2XP75XQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50326665
PNG
(CHEMBL1254527)
Show SMILES O=CN1CC[C@]23[C@H]4Oc5cccc(C[C@@H]1[C@@H]2CCC4=O)c35 |r|
Show InChI InChI=1S/C17H17NO3/c19-9-18-7-6-17-11-4-5-13(20)16(17)21-14-3-1-2-10(15(14)17)8-12(11)18/h1-3,9,11-12,16H,4-8H2/t11-,12+,16-,17-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Innsbruck and Center for Molecular Biosciences Innsbruck-CMBI

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig brain membrane


Bioorg Med Chem 18: 5071-80 (2010)


Article DOI: 10.1016/j.bmc.2010.05.071
BindingDB Entry DOI: 10.7270/Q2XP75XQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50370595
PNG
(OXYCODONE | Oxycontin | US1184575, oxycodone | US9...)
Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |TLB:20:21:16.5.6:8.11.10,THB:22:21:16.5.6:8.11.10|
Show InChI InChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3/t13-,16+,17+,18-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Innsbruck and Center for Molecular Biosciences Innsbruck-CMBI

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig brain membrane


Bioorg Med Chem 18: 5071-80 (2010)


Article DOI: 10.1016/j.bmc.2010.05.071
BindingDB Entry DOI: 10.7270/Q2XP75XQ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50000092
PNG
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1|
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Innsbruck and Center for Molecular Biosciences Innsbruck-CMBI

Curated by ChEMBL


Assay Description
Displacement of [3H][Ile5,6]deltorphin2 from delta opioid receptor in rat brain membrane


Bioorg Med Chem 18: 5071-80 (2010)


Article DOI: 10.1016/j.bmc.2010.05.071
BindingDB Entry DOI: 10.7270/Q2XP75XQ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50326665
PNG
(CHEMBL1254527)
Show SMILES O=CN1CC[C@]23[C@H]4Oc5cccc(C[C@@H]1[C@@H]2CCC4=O)c35 |r|
Show InChI InChI=1S/C17H17NO3/c19-9-18-7-6-17-11-4-5-13(20)16(17)21-14-3-1-2-10(15(14)17)8-12(11)18/h1-3,9,11-12,16H,4-8H2/t11-,12+,16-,17-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Innsbruck and Center for Molecular Biosciences Innsbruck-CMBI

Curated by ChEMBL


Assay Description
Displacement of [3H][Ile5,6]deltorphin2 from delta opioid receptor in rat brain membrane


Bioorg Med Chem 18: 5071-80 (2010)


Article DOI: 10.1016/j.bmc.2010.05.071
BindingDB Entry DOI: 10.7270/Q2XP75XQ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50370595
PNG
(OXYCODONE | Oxycontin | US1184575, oxycodone | US9...)
Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |TLB:20:21:16.5.6:8.11.10,THB:22:21:16.5.6:8.11.10|
Show InChI InChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3/t13-,16+,17+,18-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Innsbruck and Center for Molecular Biosciences Innsbruck-CMBI

Curated by ChEMBL


Assay Description
Displacement of [3H][Ile5,6]deltorphin2 from delta opioid receptor in rat brain membrane


Bioorg Med Chem 18: 5071-80 (2010)


Article DOI: 10.1016/j.bmc.2010.05.071
BindingDB Entry DOI: 10.7270/Q2XP75XQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50000092
PNG
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1|
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Innsbruck and Center for Molecular Biosciences Innsbruck-CMBI

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane


Bioorg Med Chem 18: 5071-80 (2010)


Article DOI: 10.1016/j.bmc.2010.05.071
BindingDB Entry DOI: 10.7270/Q2XP75XQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50326665
PNG
(CHEMBL1254527)
Show SMILES O=CN1CC[C@]23[C@H]4Oc5cccc(C[C@@H]1[C@@H]2CCC4=O)c35 |r|
Show InChI InChI=1S/C17H17NO3/c19-9-18-7-6-17-11-4-5-13(20)16(17)21-14-3-1-2-10(15(14)17)8-12(11)18/h1-3,9,11-12,16H,4-8H2/t11-,12+,16-,17-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Innsbruck and Center for Molecular Biosciences Innsbruck-CMBI

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane


Bioorg Med Chem 18: 5071-80 (2010)


Article DOI: 10.1016/j.bmc.2010.05.071
BindingDB Entry DOI: 10.7270/Q2XP75XQ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50326673
PNG
((levallorphan)17-allyl-(1R,9R)-17-azatetracyclo[7....)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC=C)c2c1 |r|
Show InChI InChI=1S/C19H25NO/c1-2-10-20-11-9-19-8-4-3-5-16(19)18(20)12-14-6-7-15(21)13-17(14)19/h2,6-7,13,16,18,21H,1,3-5,8-12H2/t16-,18+,19+/m0/s1
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1.20E+4n/an/an/an/an/an/an/an/a



University of Innsbruck and Center for Molecular Biosciences Innsbruck-CMBI

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by Ellman's method


Bioorg Med Chem 18: 5071-80 (2010)


Article DOI: 10.1016/j.bmc.2010.05.071
BindingDB Entry DOI: 10.7270/Q2XP75XQ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50062613
PNG
(17-methyl-(1S,9S,10S)-17-azatetracyclo[7.5.3.01,10...)
Show SMILES CN1CC[C@@]23CCCC[C@@H]2[C@@H]1Cc1cc(O)ccc31 |r,TLB:0:1:12.18.11:9|
Show InChI InChI=1S/C17H23NO/c1-18-9-8-17-7-3-2-4-15(17)16(18)11-12-10-13(19)5-6-14(12)17/h5-6,10,15-16,19H,2-4,7-9,11H2,1H3/t15-,16+,17-/m1/s1
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2.00E+4n/an/an/an/an/an/an/an/a



University of Innsbruck and Center for Molecular Biosciences Innsbruck-CMBI

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by Ellman's method


Bioorg Med Chem 18: 5071-80 (2010)


Article DOI: 10.1016/j.bmc.2010.05.071
BindingDB Entry DOI: 10.7270/Q2XP75XQ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50326655
PNG
(CHEMBL1254683 | dextallorphan)
Show SMILES Oc1ccc2C[C@H]3[C@H]4CCCC[C@@]4(CCN3CC=C)c2c1 |r|
Show InChI InChI=1S/C19H25NO/c1-2-10-20-11-9-19-8-4-3-5-16(19)18(20)12-14-6-7-15(21)13-17(14)19/h2,6-7,13,16,18,21H,1,3-5,8-12H2/t16-,18+,19+/m1/s1
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2.00E+4n/an/an/an/an/an/an/an/a



University of Innsbruck and Center for Molecular Biosciences Innsbruck-CMBI

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by Ellman's method


Bioorg Med Chem 18: 5071-80 (2010)


Article DOI: 10.1016/j.bmc.2010.05.071
BindingDB Entry DOI: 10.7270/Q2XP75XQ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
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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2.50E+4n/an/an/an/an/an/an/an/a



University of Innsbruck and Center for Molecular Biosciences Innsbruck-CMBI

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by Ellman's method


Bioorg Med Chem 18: 5071-80 (2010)


Article DOI: 10.1016/j.bmc.2010.05.071
BindingDB Entry DOI: 10.7270/Q2XP75XQ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50000092
PNG
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1|
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
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1.09E+5n/an/an/an/an/an/an/an/a



University of Innsbruck and Center for Molecular Biosciences Innsbruck-CMBI

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by Ellman's method


Bioorg Med Chem 18: 5071-80 (2010)


Article DOI: 10.1016/j.bmc.2010.05.071
BindingDB Entry DOI: 10.7270/Q2XP75XQ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50326657
PNG
(CHEMBL1253927)
Show SMILES COc1cccc2C[C@@H]3[C@@H]4CCC(=O)C[C@]4(CCN3CC=C)c12 |r|
Show InChI InChI=1S/C20H25NO2/c1-3-10-21-11-9-20-13-15(22)7-8-16(20)17(21)12-14-5-4-6-18(23-2)19(14)20/h3-6,16-17H,1,7-13H2,2H3/t16-,17+,20-/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of Innsbruck and Center for Molecular Biosciences Innsbruck-CMBI

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by Ellman's method


Bioorg Med Chem 18: 5071-80 (2010)


Article DOI: 10.1016/j.bmc.2010.05.071
BindingDB Entry DOI: 10.7270/Q2XP75XQ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM10404
PNG
((1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetrac...)
Show SMILES COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:12|
Show InChI InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1
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n/an/a 3.20E+3n/an/an/an/an/an/a



University of Innsbruck and Center for Molecular Biosciences Innsbruck-CMBI

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by Ellman's method


Bioorg Med Chem 18: 5071-80 (2010)


Article DOI: 10.1016/j.bmc.2010.05.071
BindingDB Entry DOI: 10.7270/Q2XP75XQ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50326661
PNG
(CHEMBL1254018 | CHEMBL1254291)
Show SMILES Oc1ccc(O)c2c1C[C@@H]1[C@@H]3CCC(=O)C[C@]23CCN1C=O |r|
Show InChI InChI=1S/C17H19NO4/c19-9-18-6-5-17-8-10(20)1-2-12(17)13(18)7-11-14(21)3-4-15(22)16(11)17/h3-4,9,12-13,21-22H,1-2,5-8H2/t12-,13+,17-/m0/s1
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n/an/a 1.27E+4n/an/an/an/an/an/a



University of Innsbruck and Center for Molecular Biosciences Innsbruck-CMBI

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by Ellman's method


Bioorg Med Chem 18: 5071-80 (2010)


Article DOI: 10.1016/j.bmc.2010.05.071
BindingDB Entry DOI: 10.7270/Q2XP75XQ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50326658
PNG
(CHEMBL1253928)
Show SMILES CCO[C@@]12CCC(=O)C[C@@]11CCN(C)[C@@H]2Cc2cccc(O)c12 |r|
Show InChI InChI=1S/C19H25NO3/c1-3-23-19-8-7-14(21)12-18(19)9-10-20(2)16(19)11-13-5-4-6-15(22)17(13)18/h4-6,16,22H,3,7-12H2,1-2H3/t16-,18-,19-/m1/s1
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n/an/a 3.71E+4n/an/an/an/an/an/a



University of Innsbruck and Center for Molecular Biosciences Innsbruck-CMBI

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by Ellman's method


Bioorg Med Chem 18: 5071-80 (2010)


Article DOI: 10.1016/j.bmc.2010.05.071
BindingDB Entry DOI: 10.7270/Q2XP75XQ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50326668
PNG
(6-methoxy-1-(3-methoxybenzyl)-3,4-dihydroisoquinol...)
Show SMILES COc1cccc(CC2=NCCc3cc(OC)ccc23)c1 |t:8|
Show InChI InChI=1S/C18H19NO2/c1-20-15-5-3-4-13(10-15)11-18-17-7-6-16(21-2)12-14(17)8-9-19-18/h3-7,10,12H,8-9,11H2,1-2H3
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n/an/a 4.29E+4n/an/an/an/an/an/a



University of Innsbruck and Center for Molecular Biosciences Innsbruck-CMBI

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by Ellman's method


Bioorg Med Chem 18: 5071-80 (2010)


Article DOI: 10.1016/j.bmc.2010.05.071
BindingDB Entry DOI: 10.7270/Q2XP75XQ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50326666
PNG
(3-((6-methoxy-3,4,4a,5,6,7,8,8a-octahydroisoquinol...)
Show SMILES COC1CCC2C(CCN=C2Cc2cccc(O)c2)C1 |c:9|
Show InChI InChI=1S/C17H23NO2/c1-20-15-5-6-16-13(11-15)7-8-18-17(16)10-12-3-2-4-14(19)9-12/h2-4,9,13,15-16,19H,5-8,10-11H2,1H3
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n/an/a 4.31E+4n/an/an/an/an/an/a



University of Innsbruck and Center for Molecular Biosciences Innsbruck-CMBI

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by Ellman's method


Bioorg Med Chem 18: 5071-80 (2010)


Article DOI: 10.1016/j.bmc.2010.05.071
BindingDB Entry DOI: 10.7270/Q2XP75XQ
More data for this
Ligand-Target Pair
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