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PubMed code 23116891

Compile data set for download or QSAR
Found 15 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


(Mus musculus (Mouse))
BDBM50402138
PNG
(CHEMBL2207678)
Show SMILES Oc1ccc2CC34CC5CCC3N(CC3CC3)CCC4(CC5=O)c2c1
Show InChI InChI=1S/C22H27NO2/c24-17-5-3-15-10-22-11-16-4-6-20(22)23(13-14-1-2-14)8-7-21(22,12-19(16)25)18(15)9-17/h3,5,9,14,16,20,24H,1-2,4,6-8,10-13H2
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0.840n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69,593 from kappa opioid receptor in mouse whole brain without cerebellum


Bioorg Med Chem Lett 22: 7697-701 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.102
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50402139
PNG
(CHEMBL2207679)
Show SMILES Oc1ccc2CC34CC5C=CC3N(CC3CC3)CCC4(CC5=O)c2c1 |c:9|
Show InChI InChI=1S/C22H25NO2/c24-17-5-3-15-10-22-11-16-4-6-20(22)23(13-14-1-2-14)8-7-21(22,12-19(16)25)18(15)9-17/h3-6,9,14,16,20,24H,1-2,7-8,10-13H2
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1.92n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69,593 from kappa opioid receptor in mouse whole brain without cerebellum


Bioorg Med Chem Lett 22: 7697-701 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.102
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50402138
PNG
(CHEMBL2207678)
Show SMILES Oc1ccc2CC34CC5CCC3N(CC3CC3)CCC4(CC5=O)c2c1
Show InChI InChI=1S/C22H27NO2/c24-17-5-3-15-10-22-11-16-4-6-20(22)23(13-14-1-2-14)8-7-21(22,12-19(16)25)18(15)9-17/h3,5,9,14,16,20,24H,1-2,4,6-8,10-13H2
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3.21n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in guinea pig cerebellum


Bioorg Med Chem Lett 22: 7697-701 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.102
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50402140
PNG
(CHEMBL2207680)
Show SMILES O[C@@H]1CC2N(CC3CC3)CCC34CC(=O)C1CC23Cc1ccc(O)cc41 |r|
Show InChI InChI=1S/C22H27NO3/c24-15-4-3-14-9-22-10-16-18(25)8-20(22)23(12-13-1-2-13)6-5-21(22,11-19(16)26)17(14)7-15/h3-4,7,13,16,18,20,24-25H,1-2,5-6,8-12H2/t16?,18-,20?,21?,22?/m1/s1
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7.63n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69,593 from kappa opioid receptor in mouse whole brain without cerebellum


Bioorg Med Chem Lett 22: 7697-701 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.102
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50402140
PNG
(CHEMBL2207680)
Show SMILES O[C@@H]1CC2N(CC3CC3)CCC34CC(=O)C1CC23Cc1ccc(O)cc41 |r|
Show InChI InChI=1S/C22H27NO3/c24-15-4-3-14-9-22-10-16-18(25)8-20(22)23(12-13-1-2-13)6-5-21(22,11-19(16)26)17(14)7-15/h3-4,7,13,16,18,20,24-25H,1-2,5-6,8-12H2/t16?,18-,20?,21?,22?/m1/s1
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13.1n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in guinea pig cerebellum


Bioorg Med Chem Lett 22: 7697-701 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.102
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50402141
PNG
(CHEMBL2207681)
Show SMILES O[C@H]1CC2N(CC3CC3)CCC34CC(=O)C1CC23Cc1ccc(O)cc41 |r|
Show InChI InChI=1S/C22H27NO3/c24-15-4-3-14-9-22-10-16-18(25)8-20(22)23(12-13-1-2-13)6-5-21(22,11-19(16)26)17(14)7-15/h3-4,7,13,16,18,20,24-25H,1-2,5-6,8-12H2/t16?,18-,20?,21?,22?/m0/s1
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16.7n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69,593 from kappa opioid receptor in mouse whole brain without cerebellum


Bioorg Med Chem Lett 22: 7697-701 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.102
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50402139
PNG
(CHEMBL2207679)
Show SMILES Oc1ccc2CC34CC5C=CC3N(CC3CC3)CCC4(CC5=O)c2c1 |c:9|
Show InChI InChI=1S/C22H25NO2/c24-17-5-3-15-10-22-11-16-4-6-20(22)23(13-14-1-2-14)8-7-21(22,12-19(16)25)18(15)9-17/h3-6,9,14,16,20,24H,1-2,7-8,10-13H2
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17.6n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in guinea pig cerebellum


Bioorg Med Chem Lett 22: 7697-701 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.102
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50402138
PNG
(CHEMBL2207678)
Show SMILES Oc1ccc2CC34CC5CCC3N(CC3CC3)CCC4(CC5=O)c2c1
Show InChI InChI=1S/C22H27NO2/c24-17-5-3-15-10-22-11-16-4-6-20(22)23(13-14-1-2-14)8-7-21(22,12-19(16)25)18(15)9-17/h3,5,9,14,16,20,24H,1-2,4,6-8,10-13H2
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43.6n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DHDPE from delta opioid receptor in mouse whole brain without cerebellum


Bioorg Med Chem Lett 22: 7697-701 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.102
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50402139
PNG
(CHEMBL2207679)
Show SMILES Oc1ccc2CC34CC5C=CC3N(CC3CC3)CCC4(CC5=O)c2c1 |c:9|
Show InChI InChI=1S/C22H25NO2/c24-17-5-3-15-10-22-11-16-4-6-20(22)23(13-14-1-2-14)8-7-21(22,12-19(16)25)18(15)9-17/h3-6,9,14,16,20,24H,1-2,7-8,10-13H2
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52.2n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DHDPE from delta opioid receptor in mouse whole brain without cerebellum


Bioorg Med Chem Lett 22: 7697-701 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.102
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50402137
PNG
(CHEMBL2207677)
Show SMILES Oc1ccc2CC34CC5C(=O)CC3N(CC3CC3)CCC4(CC5=O)c2c1
Show InChI InChI=1S/C22H25NO3/c24-15-4-3-14-9-22-10-16-18(25)8-20(22)23(12-13-1-2-13)6-5-21(22,11-19(16)26)17(14)7-15/h3-4,7,13,16,20,24H,1-2,5-6,8-12H2
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56.5n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69,593 from kappa opioid receptor in mouse whole brain without cerebellum


Bioorg Med Chem Lett 22: 7697-701 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.102
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50402140
PNG
(CHEMBL2207680)
Show SMILES O[C@@H]1CC2N(CC3CC3)CCC34CC(=O)C1CC23Cc1ccc(O)cc41 |r|
Show InChI InChI=1S/C22H27NO3/c24-15-4-3-14-9-22-10-16-18(25)8-20(22)23(12-13-1-2-13)6-5-21(22,11-19(16)26)17(14)7-15/h3-4,7,13,16,18,20,24-25H,1-2,5-6,8-12H2/t16?,18-,20?,21?,22?/m1/s1
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67.9n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DHDPE from delta opioid receptor in mouse whole brain without cerebellum


Bioorg Med Chem Lett 22: 7697-701 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.102
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50402141
PNG
(CHEMBL2207681)
Show SMILES O[C@H]1CC2N(CC3CC3)CCC34CC(=O)C1CC23Cc1ccc(O)cc41 |r|
Show InChI InChI=1S/C22H27NO3/c24-15-4-3-14-9-22-10-16-18(25)8-20(22)23(12-13-1-2-13)6-5-21(22,11-19(16)26)17(14)7-15/h3-4,7,13,16,18,20,24-25H,1-2,5-6,8-12H2/t16?,18-,20?,21?,22?/m0/s1
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70.7n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in guinea pig cerebellum


Bioorg Med Chem Lett 22: 7697-701 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.102
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50402141
PNG
(CHEMBL2207681)
Show SMILES O[C@H]1CC2N(CC3CC3)CCC34CC(=O)C1CC23Cc1ccc(O)cc41 |r|
Show InChI InChI=1S/C22H27NO3/c24-15-4-3-14-9-22-10-16-18(25)8-20(22)23(12-13-1-2-13)6-5-21(22,11-19(16)26)17(14)7-15/h3-4,7,13,16,18,20,24-25H,1-2,5-6,8-12H2/t16?,18-,20?,21?,22?/m0/s1
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146n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DHDPE from delta opioid receptor in mouse whole brain without cerebellum


Bioorg Med Chem Lett 22: 7697-701 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.102
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50402137
PNG
(CHEMBL2207677)
Show SMILES Oc1ccc2CC34CC5C(=O)CC3N(CC3CC3)CCC4(CC5=O)c2c1
Show InChI InChI=1S/C22H25NO3/c24-15-4-3-14-9-22-10-16-18(25)8-20(22)23(12-13-1-2-13)6-5-21(22,11-19(16)26)17(14)7-15/h3-4,7,13,16,20,24H,1-2,5-6,8-12H2
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187n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in guinea pig cerebellum


Bioorg Med Chem Lett 22: 7697-701 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.102
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50402137
PNG
(CHEMBL2207677)
Show SMILES Oc1ccc2CC34CC5C(=O)CC3N(CC3CC3)CCC4(CC5=O)c2c1
Show InChI InChI=1S/C22H25NO3/c24-15-4-3-14-9-22-10-16-18(25)8-20(22)23(12-13-1-2-13)6-5-21(22,11-19(16)26)17(14)7-15/h3-4,7,13,16,20,24H,1-2,5-6,8-12H2
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410n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DHDPE from delta opioid receptor in mouse whole brain without cerebellum


Bioorg Med Chem Lett 22: 7697-701 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.102
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%