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PubMed code 24835200

Compile data set for download or QSAR
Found 18 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


(Homo sapiens (Human))
BDBM50018997
PNG
(CHEMBL3287467)
Show SMILES Oc1ccc2C[C@@]34CN(CC5CC5)CC[C@@]3(Cc3nc5ccccc5cc3C4)c2c1 |r|
Show InChI InChI=1S/C27H28N2O/c30-22-8-7-20-13-26-14-21-11-19-3-1-2-4-24(19)28-25(21)15-27(26,23(20)12-22)9-10-29(17-26)16-18-5-6-18/h1-4,7-8,11-12,18,30H,5-6,9-10,13-17H2/t26-,27-/m1/s1
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0.941n/an/an/an/an/an/an/an/a



University of Tsukuba

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from delta-opioid receptor (unknown origin)


Bioorg Med Chem Lett 24: 2851-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.098
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50018998
PNG
(CHEMBL3287468)
Show SMILES Oc1ccc2C[C@@]34CN(CC5(O)CC5)CC[C@@]3(Cc3nc5ccccc5cc3C4)c2c1 |r|
Show InChI InChI=1S/C27H28N2O2/c30-21-6-5-19-13-25-14-20-11-18-3-1-2-4-23(18)28-24(20)15-27(25,22(19)12-21)9-10-29(16-25)17-26(31)7-8-26/h1-6,11-12,30-31H,7-10,13-17H2/t25-,27-/m1/s1
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1.10n/an/an/an/an/an/an/an/a



University of Tsukuba

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from delta-opioid receptor (unknown origin)


Bioorg Med Chem Lett 24: 2851-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.098
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50019000
PNG
(CHEMBL3287470)
Show SMILES CN1CC[C@]23Cc4nc5ccccc5cc4C[C@]2(Cc2ccc(O)cc32)C1 |r|
Show InChI InChI=1S/C24H24N2O/c1-26-9-8-24-14-22-18(10-16-4-2-3-5-21(16)25-22)13-23(24,15-26)12-17-6-7-19(27)11-20(17)24/h2-7,10-11,27H,8-9,12-15H2,1H3/t23-,24-/m1/s1
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1.90n/an/an/an/an/an/an/an/a



University of Tsukuba

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from delta-opioid receptor (unknown origin)


Bioorg Med Chem Lett 24: 2851-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.098
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50019000
PNG
(CHEMBL3287470)
Show SMILES CN1CC[C@]23Cc4nc5ccccc5cc4C[C@]2(Cc2ccc(O)cc32)C1 |r|
Show InChI InChI=1S/C24H24N2O/c1-26-9-8-24-14-22-18(10-16-4-2-3-5-21(16)25-22)13-23(24,15-26)12-17-6-7-19(27)11-20(17)24/h2-7,10-11,27H,8-9,12-15H2,1H3/t23-,24-/m1/s1
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3.10n/an/an/an/an/an/an/an/a



University of Tsukuba

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu-opioid receptor (unknown origin)


Bioorg Med Chem Lett 24: 2851-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.098
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50018996
PNG
(CHEMBL3287466)
Show SMILES Oc1ccc2C[C@]34CCC(=O)C[C@]3(CCN(CC3CC3)C4)c2c1 |r|
Show InChI InChI=1S/C20H25NO2/c22-16-4-3-15-10-19-6-5-17(23)11-20(19,18(15)9-16)7-8-21(13-19)12-14-1-2-14/h3-4,9,14,22H,1-2,5-8,10-13H2/t19-,20+/m0/s1
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17n/an/an/an/an/an/an/an/a



University of Tsukuba

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from kappa-opioid receptor (unknown origin)


Bioorg Med Chem Lett 24: 2851-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.098
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50018999
PNG
(CHEMBL3287469)
Show SMILES Oc1ccc2C[C@@]34CN(Cc5ccccc5)CC[C@@]3(Cc3nc5ccccc5cc3C4)c2c1 |r|
Show InChI InChI=1S/C30H28N2O/c33-25-11-10-23-16-29-17-24-14-22-8-4-5-9-27(22)31-28(24)18-30(29,26(23)15-25)12-13-32(20-29)19-21-6-2-1-3-7-21/h1-11,14-15,33H,12-13,16-20H2/t29-,30-/m1/s1
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32n/an/an/an/an/an/an/an/a



University of Tsukuba

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from delta-opioid receptor (unknown origin)


Bioorg Med Chem Lett 24: 2851-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.098
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50018996
PNG
(CHEMBL3287466)
Show SMILES Oc1ccc2C[C@]34CCC(=O)C[C@]3(CCN(CC3CC3)C4)c2c1 |r|
Show InChI InChI=1S/C20H25NO2/c22-16-4-3-15-10-19-6-5-17(23)11-20(19,18(15)9-16)7-8-21(13-19)12-14-1-2-14/h3-4,9,14,22H,1-2,5-8,10-13H2/t19-,20+/m0/s1
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58n/an/an/an/an/an/an/an/a



University of Tsukuba

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu-opioid receptor (unknown origin)


Bioorg Med Chem Lett 24: 2851-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.098
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50018999
PNG
(CHEMBL3287469)
Show SMILES Oc1ccc2C[C@@]34CN(Cc5ccccc5)CC[C@@]3(Cc3nc5ccccc5cc3C4)c2c1 |r|
Show InChI InChI=1S/C30H28N2O/c33-25-11-10-23-16-29-17-24-14-22-8-4-5-9-27(22)31-28(24)18-30(29,26(23)15-25)12-13-32(20-29)19-21-6-2-1-3-7-21/h1-11,14-15,33H,12-13,16-20H2/t29-,30-/m1/s1
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76n/an/an/an/an/an/an/an/a



University of Tsukuba

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu-opioid receptor (unknown origin)


Bioorg Med Chem Lett 24: 2851-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.098
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50018997
PNG
(CHEMBL3287467)
Show SMILES Oc1ccc2C[C@@]34CN(CC5CC5)CC[C@@]3(Cc3nc5ccccc5cc3C4)c2c1 |r|
Show InChI InChI=1S/C27H28N2O/c30-22-8-7-20-13-26-14-21-11-19-3-1-2-4-24(19)28-25(21)15-27(26,23(20)12-22)9-10-29(17-26)16-18-5-6-18/h1-4,7-8,11-12,18,30H,5-6,9-10,13-17H2/t26-,27-/m1/s1
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85n/an/an/an/an/an/an/an/a



University of Tsukuba

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from kappa-opioid receptor (unknown origin)


Bioorg Med Chem Lett 24: 2851-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.098
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50018997
PNG
(CHEMBL3287467)
Show SMILES Oc1ccc2C[C@@]34CN(CC5CC5)CC[C@@]3(Cc3nc5ccccc5cc3C4)c2c1 |r|
Show InChI InChI=1S/C27H28N2O/c30-22-8-7-20-13-26-14-21-11-19-3-1-2-4-24(19)28-25(21)15-27(26,23(20)12-22)9-10-29(17-26)16-18-5-6-18/h1-4,7-8,11-12,18,30H,5-6,9-10,13-17H2/t26-,27-/m1/s1
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112n/an/an/an/an/an/an/an/a



University of Tsukuba

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu-opioid receptor (unknown origin)


Bioorg Med Chem Lett 24: 2851-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.098
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50019000
PNG
(CHEMBL3287470)
Show SMILES CN1CC[C@]23Cc4nc5ccccc5cc4C[C@]2(Cc2ccc(O)cc32)C1 |r|
Show InChI InChI=1S/C24H24N2O/c1-26-9-8-24-14-22-18(10-16-4-2-3-5-21(16)25-22)13-23(24,15-26)12-17-6-7-19(27)11-20(17)24/h2-7,10-11,27H,8-9,12-15H2,1H3/t23-,24-/m1/s1
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195n/an/an/an/an/an/an/an/a



University of Tsukuba

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from kappa-opioid receptor (unknown origin)


Bioorg Med Chem Lett 24: 2851-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.098
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50018998
PNG
(CHEMBL3287468)
Show SMILES Oc1ccc2C[C@@]34CN(CC5(O)CC5)CC[C@@]3(Cc3nc5ccccc5cc3C4)c2c1 |r|
Show InChI InChI=1S/C27H28N2O2/c30-21-6-5-19-13-25-14-20-11-18-3-1-2-4-23(18)28-24(20)15-27(25,22(19)12-21)9-10-29(16-25)17-26(31)7-8-26/h1-6,11-12,30-31H,7-10,13-17H2/t25-,27-/m1/s1
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415n/an/an/an/an/an/an/an/a



University of Tsukuba

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu-opioid receptor (unknown origin)


Bioorg Med Chem Lett 24: 2851-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.098
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50018996
PNG
(CHEMBL3287466)
Show SMILES Oc1ccc2C[C@]34CCC(=O)C[C@]3(CCN(CC3CC3)C4)c2c1 |r|
Show InChI InChI=1S/C20H25NO2/c22-16-4-3-15-10-19-6-5-17(23)11-20(19,18(15)9-16)7-8-21(13-19)12-14-1-2-14/h3-4,9,14,22H,1-2,5-8,10-13H2/t19-,20+/m0/s1
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448n/an/an/an/an/an/an/an/a



University of Tsukuba

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from delta-opioid receptor (unknown origin)


Bioorg Med Chem Lett 24: 2851-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.098
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50018999
PNG
(CHEMBL3287469)
Show SMILES Oc1ccc2C[C@@]34CN(Cc5ccccc5)CC[C@@]3(Cc3nc5ccccc5cc3C4)c2c1 |r|
Show InChI InChI=1S/C30H28N2O/c33-25-11-10-23-16-29-17-24-14-22-8-4-5-9-27(22)31-28(24)18-30(29,26(23)15-25)12-13-32(20-29)19-21-6-2-1-3-7-21/h1-11,14-15,33H,12-13,16-20H2/t29-,30-/m1/s1
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594n/an/an/an/an/an/an/an/a



University of Tsukuba

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from kappa-opioid receptor (unknown origin)


Bioorg Med Chem Lett 24: 2851-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.098
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50018998
PNG
(CHEMBL3287468)
Show SMILES Oc1ccc2C[C@@]34CN(CC5(O)CC5)CC[C@@]3(Cc3nc5ccccc5cc3C4)c2c1 |r|
Show InChI InChI=1S/C27H28N2O2/c30-21-6-5-19-13-25-14-20-11-18-3-1-2-4-23(18)28-24(20)15-27(25,22(19)12-21)9-10-29(16-25)17-26(31)7-8-26/h1-6,11-12,30-31H,7-10,13-17H2/t25-,27-/m1/s1
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879n/an/an/an/an/an/an/an/a



University of Tsukuba

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from kappa-opioid receptor (unknown origin)


Bioorg Med Chem Lett 24: 2851-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.098
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50018997
PNG
(CHEMBL3287467)
Show SMILES Oc1ccc2C[C@@]34CN(CC5CC5)CC[C@@]3(Cc3nc5ccccc5cc3C4)c2c1 |r|
Show InChI InChI=1S/C27H28N2O/c30-22-8-7-20-13-26-14-21-11-19-3-1-2-4-24(19)28-25(21)15-27(26,23(20)12-22)9-10-29(17-26)16-18-5-6-18/h1-4,7-8,11-12,18,30H,5-6,9-10,13-17H2/t26-,27-/m1/s1
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n/an/an/an/a 2.5n/an/an/an/a



University of Tsukuba

Curated by ChEMBL


Assay Description
Agonist activity at delta-opioid receptor (unknown origin) by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 24: 2851-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.098
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50018997
PNG
(CHEMBL3287467)
Show SMILES Oc1ccc2C[C@@]34CN(CC5CC5)CC[C@@]3(Cc3nc5ccccc5cc3C4)c2c1 |r|
Show InChI InChI=1S/C27H28N2O/c30-22-8-7-20-13-26-14-21-11-19-3-1-2-4-24(19)28-25(21)15-27(26,23(20)12-22)9-10-29(17-26)16-18-5-6-18/h1-4,7-8,11-12,18,30H,5-6,9-10,13-17H2/t26-,27-/m1/s1
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n/an/an/an/a 836n/an/an/an/a



University of Tsukuba

Curated by ChEMBL


Assay Description
Agonist activity at kappa-opioid receptor (unknown origin) by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 24: 2851-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.098
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50018997
PNG
(CHEMBL3287467)
Show SMILES Oc1ccc2C[C@@]34CN(CC5CC5)CC[C@@]3(Cc3nc5ccccc5cc3C4)c2c1 |r|
Show InChI InChI=1S/C27H28N2O/c30-22-8-7-20-13-26-14-21-11-19-3-1-2-4-24(19)28-25(21)15-27(26,23(20)12-22)9-10-29(17-26)16-18-5-6-18/h1-4,7-8,11-12,18,30H,5-6,9-10,13-17H2/t26-,27-/m1/s1
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n/an/an/an/a 197n/an/an/an/a



University of Tsukuba

Curated by ChEMBL


Assay Description
Agonist activity at mu-opioid receptor (unknown origin) by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 24: 2851-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.098
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%