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PubMed code 27567368

Compile data set for download or QSAR
Found 12 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
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50194198
PNG
(CHEMBL3890511)
Show SMILES Oc1ccc(CCN(CCc2ccccc2)CC2CCC2)cc1
Show InChI InChI=1S/C21H27NO/c23-21-11-9-19(10-12-21)14-16-22(17-20-7-4-8-20)15-13-18-5-2-1-3-6-18/h1-3,5-6,9-12,20,23H,4,7-8,13-17H2
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36n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cell membranes after 60 mins by liquid scintillation counting


Bioorg Med Chem Lett 26: 4769-4774 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.031
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50194197
PNG
(CHEMBL3923010)
Show SMILES Oc1cccc(CCN(CCc2ccccc2)CCc2ccccc2)c1
Show InChI InChI=1S/C24H27NO/c26-24-13-7-12-23(20-24)16-19-25(17-14-21-8-3-1-4-9-21)18-15-22-10-5-2-6-11-22/h1-13,20,26H,14-19H2
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211n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cell membranes after 60 mins by liquid scintillation counting


Bioorg Med Chem Lett 26: 4769-4774 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.031
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50194236
PNG
(CHEMBL3950863)
Show SMILES Oc1ccc(CCN(CCc2ccccc2)CC2CC2)cc1
Show InChI InChI=1S/C20H25NO/c22-20-10-8-18(9-11-20)13-15-21(16-19-6-7-19)14-12-17-4-2-1-3-5-17/h1-5,8-11,19,22H,6-7,12-16H2
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218n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cell membranes after 60 mins by liquid scintillation counting


Bioorg Med Chem Lett 26: 4769-4774 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.031
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50194198
PNG
(CHEMBL3890511)
Show SMILES Oc1ccc(CCN(CCc2ccccc2)CC2CCC2)cc1
Show InChI InChI=1S/C21H27NO/c23-21-11-9-19(10-12-21)14-16-22(17-20-7-4-8-20)15-13-18-5-2-1-3-6-18/h1-3,5-6,9-12,20,23H,4,7-8,13-17H2
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731n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cell membranes after 60 mins by liquid scintillation counting


Bioorg Med Chem Lett 26: 4769-4774 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.031
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50194236
PNG
(CHEMBL3950863)
Show SMILES Oc1ccc(CCN(CCc2ccccc2)CC2CC2)cc1
Show InChI InChI=1S/C20H25NO/c22-20-10-8-18(9-11-20)13-15-21(16-19-6-7-19)14-12-17-4-2-1-3-5-17/h1-5,8-11,19,22H,6-7,12-16H2
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1.75E+3n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cell membranes after 60 mins by liquid scintillation counting


Bioorg Med Chem Lett 26: 4769-4774 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.031
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50194198
PNG
(CHEMBL3890511)
Show SMILES Oc1ccc(CCN(CCc2ccccc2)CC2CCC2)cc1
Show InChI InChI=1S/C21H27NO/c23-21-11-9-19(10-12-21)14-16-22(17-20-7-4-8-20)15-13-18-5-2-1-3-6-18/h1-3,5-6,9-12,20,23H,4,7-8,13-17H2
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2.13E+3n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]pCl-DPDPE from human delta opioid receptor expressed in CHO cell membranes after 60 mins by liquid scintillation counting


Bioorg Med Chem Lett 26: 4769-4774 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.031
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50194236
PNG
(CHEMBL3950863)
Show SMILES Oc1ccc(CCN(CCc2ccccc2)CC2CC2)cc1
Show InChI InChI=1S/C20H25NO/c22-20-10-8-18(9-11-20)13-15-21(16-19-6-7-19)14-12-17-4-2-1-3-5-17/h1-5,8-11,19,22H,6-7,12-16H2
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2.19E+3n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]pCl-DPDPE from human delta opioid receptor expressed in CHO cell membranes after 60 mins by liquid scintillation counting


Bioorg Med Chem Lett 26: 4769-4774 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.031
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50194197
PNG
(CHEMBL3923010)
Show SMILES Oc1cccc(CCN(CCc2ccccc2)CCc2ccccc2)c1
Show InChI InChI=1S/C24H27NO/c26-24-13-7-12-23(20-24)16-19-25(17-14-21-8-3-1-4-9-21)18-15-22-10-5-2-6-11-22/h1-13,20,26H,14-19H2
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cell membranes after 60 mins by liquid scintillation counting


Bioorg Med Chem Lett 26: 4769-4774 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.031
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50194197
PNG
(CHEMBL3923010)
Show SMILES Oc1cccc(CCN(CCc2ccccc2)CCc2ccccc2)c1
Show InChI InChI=1S/C24H27NO/c26-24-13-7-12-23(20-24)16-19-25(17-14-21-8-3-1-4-9-21)18-15-22-10-5-2-6-11-22/h1-13,20,26H,14-19H2
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]pCl-DPDPE from human delta opioid receptor expressed in CHO cell membranes after 60 mins by liquid scintillation counting


Bioorg Med Chem Lett 26: 4769-4774 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.031
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50194198
PNG
(CHEMBL3890511)
Show SMILES Oc1ccc(CCN(CCc2ccccc2)CC2CCC2)cc1
Show InChI InChI=1S/C21H27NO/c23-21-11-9-19(10-12-21)14-16-22(17-20-7-4-8-20)15-13-18-5-2-1-3-6-18/h1-3,5-6,9-12,20,23H,4,7-8,13-17H2
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n/an/an/an/a 109n/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in CHO cell membranes after 60 mins by [35S]GTPgammaS assay


Bioorg Med Chem Lett 26: 4769-4774 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.031
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50194197
PNG
(CHEMBL3923010)
Show SMILES Oc1cccc(CCN(CCc2ccccc2)CCc2ccccc2)c1
Show InChI InChI=1S/C24H27NO/c26-24-13-7-12-23(20-24)16-19-25(17-14-21-8-3-1-4-9-21)18-15-22-10-5-2-6-11-22/h1-13,20,26H,14-19H2
PDB

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PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in CHO cell membranes after 60 mins by [35S]GTPgammaS assay


Bioorg Med Chem Lett 26: 4769-4774 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.031
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50194236
PNG
(CHEMBL3950863)
Show SMILES Oc1ccc(CCN(CCc2ccccc2)CC2CC2)cc1
Show InChI InChI=1S/C20H25NO/c22-20-10-8-18(9-11-20)13-15-21(16-19-6-7-19)14-12-17-4-2-1-3-5-17/h1-5,8-11,19,22H,6-7,12-16H2
PDB

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n/an/an/an/a>1.00E+4n/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in CHO cell membranes after 60 mins by [35S]GTPgammaS assay


Bioorg Med Chem Lett 26: 4769-4774 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.031
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%