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Compile Data Set for Download or QSAR

Found 50 hits Enz. Inhib. hit(s) with all data for entry = 50040940   
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)
BDBM50402460
PNG
(CHEMBL2204031)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CC[C@]41O[C@H]2N3[C@H](OC2(C)C)C(C)(C)O[C@H]13)ccc5O |r|
Show InChI InChI=1S/C26H34N2O6/c1-22(2)19-28-20(23(3,4)32-19)34-25(21(28)33-22)8-9-26(30)15-12-13-6-7-14(29)17-16(13)24(26,18(25)31-17)10-11-27(15)5/h6-7,15,18-21,29-30H,8-12H2,1-5H3/t15-,18-,19-,20-,21-,24+,25+,26-/m1/s1
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1.85n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 7551-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.023
BindingDB Entry DOI: 10.7270/Q29P32T1
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50402474
PNG
(CHEMBL2204027)
Show SMILES CC1(C)O[C@H]2N3[C@@H]1O[C@]1(CC[C@@]4(O)[C@H]5Cc6ccc(O)c7O[C@@H]1[C@]4(CCN5CC1CC1)c67)[C@H]3OC2(C)C |r|
Show InChI InChI=1S/C29H38N2O6/c1-25(2)22-31-23(26(3,4)35-22)37-28(24(31)36-25)9-10-29(33)18-13-16-7-8-17(32)20-19(16)27(29,21(28)34-20)11-12-30(18)14-15-5-6-15/h7-8,15,18,21-24,32-33H,5-6,9-14H2,1-4H3/t18-,21-,22-,23-,24-,27+,28+,29-/m1/s1
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2.14n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 7551-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.023
BindingDB Entry DOI: 10.7270/Q29P32T1
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50402472
PNG
(CHEMBL2204029)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CC[C@]41O[C@@H]2CO[C@@H]3CO[C@H]1N23)ccc5O |r|
Show InChI InChI=1S/C22H26N2O6/c1-23-7-6-20-16-11-2-3-12(25)17(16)29-18(20)21(4-5-22(20,26)13(23)8-11)19-24-14(9-28-19)27-10-15(24)30-21/h2-3,13-15,18-19,25-26H,4-10H2,1H3/t13-,14-,15-,18-,19-,20+,21+,22-/m1/s1
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2.34n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 7551-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.023
BindingDB Entry DOI: 10.7270/Q29P32T1
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50402471
PNG
(CHEMBL2204030)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CC[C@]41O[C@H]2CO[C@H]3CO[C@@H]1N23)ccc5O |r|
Show InChI InChI=1S/C22H26N2O6/c1-23-7-6-20-16-11-2-3-12(25)17(16)29-18(20)21(4-5-22(20,26)13(23)8-11)19-24-14(9-28-19)27-10-15(24)30-21/h2-3,13-15,18-19,25-26H,4-10H2,1H3/t13-,14+,15+,18-,19+,20+,21+,22-/m1/s1
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2.38n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 7551-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.023
BindingDB Entry DOI: 10.7270/Q29P32T1
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50402470
PNG
(CHEMBL2204032)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CC[C@]41O[C@@H]2N3[C@@H](OC2(C)C)C(C)(C)O[C@@H]13)ccc5O |r|
Show InChI InChI=1S/C26H34N2O6/c1-22(2)19-28-20(23(3,4)32-19)34-25(21(28)33-22)8-9-26(30)15-12-13-6-7-14(29)17-16(13)24(26,18(25)31-17)10-11-27(15)5/h6-7,15,18-21,29-30H,8-12H2,1-5H3/t15-,18-,19+,20+,21+,24+,25+,26-/m1/s1
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2.67n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 7551-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.023
BindingDB Entry DOI: 10.7270/Q29P32T1
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50402461
PNG
(CHEMBL2204025)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35O)O[C@@H]2CO[C@@H]3CO[C@H]1N23 |r|
Show InChI InChI=1S/C25H30N2O6/c28-15-4-3-14-9-16-25(29)6-5-24(22-27-17(11-31-22)30-12-18(27)33-24)21-23(25,19(14)20(15)32-21)7-8-26(16)10-13-1-2-13/h3-4,13,16-18,21-22,28-29H,1-2,5-12H2/t16-,17-,18-,21-,22-,23+,24+,25-/m1/s1
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3.86n/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 guinea pig cerebellum


Bioorg Med Chem Lett 22: 7551-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.023
BindingDB Entry DOI: 10.7270/Q29P32T1
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50402473
PNG
(CHEMBL2204028)
Show SMILES CC1(C)O[C@@H]2N3[C@H]1O[C@]1(CC[C@@]4(O)[C@H]5Cc6ccc(O)c7O[C@@H]1[C@]4(CCN5CC1CC1)c67)[C@@H]3OC2(C)C |r|
Show InChI InChI=1S/C29H38N2O6/c1-25(2)22-31-23(26(3,4)35-22)37-28(24(31)36-25)9-10-29(33)18-13-16-7-8-17(32)20-19(16)27(29,21(28)34-20)11-12-30(18)14-15-5-6-15/h7-8,15,18,21-24,32-33H,5-6,9-14H2,1-4H3/t18-,21-,22+,23+,24+,27+,28+,29-/m1/s1
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5.35n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 7551-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.023
BindingDB Entry DOI: 10.7270/Q29P32T1
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50402475
PNG
(CHEMBL2204026)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35O)O[C@H]2CO[C@H]3CO[C@@H]1N23 |r|
Show InChI InChI=1S/C25H30N2O6/c28-15-4-3-14-9-16-25(29)6-5-24(22-27-17(11-31-22)30-12-18(27)33-24)21-23(25,19(14)20(15)32-21)7-8-26(16)10-13-1-2-13/h3-4,13,16-18,21-22,28-29H,1-2,5-12H2/t16-,17+,18+,21-,22+,23+,24+,25-/m1/s1
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5.95n/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 guinea pig cerebellum


Bioorg Med Chem Lett 22: 7551-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.023
BindingDB Entry DOI: 10.7270/Q29P32T1
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50402475
PNG
(CHEMBL2204026)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35O)O[C@H]2CO[C@H]3CO[C@@H]1N23 |r|
Show InChI InChI=1S/C25H30N2O6/c28-15-4-3-14-9-16-25(29)6-5-24(22-27-17(11-31-22)30-12-18(27)33-24)21-23(25,19(14)20(15)32-21)7-8-26(16)10-13-1-2-13/h3-4,13,16-18,21-22,28-29H,1-2,5-12H2/t16-,17+,18+,21-,22+,23+,24+,25-/m1/s1
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6.85n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 7551-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.023
BindingDB Entry DOI: 10.7270/Q29P32T1
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50402474
PNG
(CHEMBL2204027)
Show SMILES CC1(C)O[C@H]2N3[C@@H]1O[C@]1(CC[C@@]4(O)[C@H]5Cc6ccc(O)c7O[C@@H]1[C@]4(CCN5CC1CC1)c67)[C@H]3OC2(C)C |r|
Show InChI InChI=1S/C29H38N2O6/c1-25(2)22-31-23(26(3,4)35-22)37-28(24(31)36-25)9-10-29(33)18-13-16-7-8-17(32)20-19(16)27(29,21(28)34-20)11-12-30(18)14-15-5-6-15/h7-8,15,18,21-24,32-33H,5-6,9-14H2,1-4H3/t18-,21-,22-,23-,24-,27+,28+,29-/m1/s1
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7.89n/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 guinea pig cerebellum


Bioorg Med Chem Lett 22: 7551-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.023
BindingDB Entry DOI: 10.7270/Q29P32T1
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50402461
PNG
(CHEMBL2204025)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35O)O[C@@H]2CO[C@@H]3CO[C@H]1N23 |r|
Show InChI InChI=1S/C25H30N2O6/c28-15-4-3-14-9-16-25(29)6-5-24(22-27-17(11-31-22)30-12-18(27)33-24)21-23(25,19(14)20(15)32-21)7-8-26(16)10-13-1-2-13/h3-4,13,16-18,21-22,28-29H,1-2,5-12H2/t16-,17-,18-,21-,22-,23+,24+,25-/m1/s1
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8.65n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 7551-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.023
BindingDB Entry DOI: 10.7270/Q29P32T1
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50402470
PNG
(CHEMBL2204032)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CC[C@]41O[C@@H]2N3[C@@H](OC2(C)C)C(C)(C)O[C@@H]13)ccc5O |r|
Show InChI InChI=1S/C26H34N2O6/c1-22(2)19-28-20(23(3,4)32-19)34-25(21(28)33-22)8-9-26(30)15-12-13-6-7-14(29)17-16(13)24(26,18(25)31-17)10-11-27(15)5/h6-7,15,18-21,29-30H,8-12H2,1-5H3/t15-,18-,19+,20+,21+,24+,25+,26-/m1/s1
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9.78n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 7551-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.023
BindingDB Entry DOI: 10.7270/Q29P32T1
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50402473
PNG
(CHEMBL2204028)
Show SMILES CC1(C)O[C@@H]2N3[C@H]1O[C@]1(CC[C@@]4(O)[C@H]5Cc6ccc(O)c7O[C@@H]1[C@]4(CCN5CC1CC1)c67)[C@@H]3OC2(C)C |r|
Show InChI InChI=1S/C29H38N2O6/c1-25(2)22-31-23(26(3,4)35-22)37-28(24(31)36-25)9-10-29(33)18-13-16-7-8-17(32)20-19(16)27(29,21(28)34-20)11-12-30(18)14-15-5-6-15/h7-8,15,18,21-24,32-33H,5-6,9-14H2,1-4H3/t18-,21-,22+,23+,24+,27+,28+,29-/m1/s1
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22n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 7551-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.023
BindingDB Entry DOI: 10.7270/Q29P32T1
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50402473
PNG
(CHEMBL2204028)
Show SMILES CC1(C)O[C@@H]2N3[C@H]1O[C@]1(CC[C@@]4(O)[C@H]5Cc6ccc(O)c7O[C@@H]1[C@]4(CCN5CC1CC1)c67)[C@@H]3OC2(C)C |r|
Show InChI InChI=1S/C29H38N2O6/c1-25(2)22-31-23(26(3,4)35-22)37-28(24(31)36-25)9-10-29(33)18-13-16-7-8-17(32)20-19(16)27(29,21(28)34-20)11-12-30(18)14-15-5-6-15/h7-8,15,18,21-24,32-33H,5-6,9-14H2,1-4H3/t18-,21-,22+,23+,24+,27+,28+,29-/m1/s1
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24.2n/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 guinea pig cerebellum


Bioorg Med Chem Lett 22: 7551-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.023
BindingDB Entry DOI: 10.7270/Q29P32T1
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50402474
PNG
(CHEMBL2204027)
Show SMILES CC1(C)O[C@H]2N3[C@@H]1O[C@]1(CC[C@@]4(O)[C@H]5Cc6ccc(O)c7O[C@@H]1[C@]4(CCN5CC1CC1)c67)[C@H]3OC2(C)C |r|
Show InChI InChI=1S/C29H38N2O6/c1-25(2)22-31-23(26(3,4)35-22)37-28(24(31)36-25)9-10-29(33)18-13-16-7-8-17(32)20-19(16)27(29,21(28)34-20)11-12-30(18)14-15-5-6-15/h7-8,15,18,21-24,32-33H,5-6,9-14H2,1-4H3/t18-,21-,22-,23-,24-,27+,28+,29-/m1/s1
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71.8n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 7551-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.023
BindingDB Entry DOI: 10.7270/Q29P32T1
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50402475
PNG
(CHEMBL2204026)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35O)O[C@H]2CO[C@H]3CO[C@@H]1N23 |r|
Show InChI InChI=1S/C25H30N2O6/c28-15-4-3-14-9-16-25(29)6-5-24(22-27-17(11-31-22)30-12-18(27)33-24)21-23(25,19(14)20(15)32-21)7-8-26(16)10-13-1-2-13/h3-4,13,16-18,21-22,28-29H,1-2,5-12H2/t16-,17+,18+,21-,22+,23+,24+,25-/m1/s1
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78.6n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 7551-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.023
BindingDB Entry DOI: 10.7270/Q29P32T1
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50402460
PNG
(CHEMBL2204031)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CC[C@]41O[C@H]2N3[C@H](OC2(C)C)C(C)(C)O[C@H]13)ccc5O |r|
Show InChI InChI=1S/C26H34N2O6/c1-22(2)19-28-20(23(3,4)32-19)34-25(21(28)33-22)8-9-26(30)15-12-13-6-7-14(29)17-16(13)24(26,18(25)31-17)10-11-27(15)5/h6-7,15,18-21,29-30H,8-12H2,1-5H3/t15-,18-,19-,20-,21-,24+,25+,26-/m1/s1
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79.1n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 7551-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.023
BindingDB Entry DOI: 10.7270/Q29P32T1
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50402469
PNG
(CHEMBL2204033)
Show SMILES CC(C)CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CC[C@]41O[C@@H]2CO[C@@H]3CO[C@H]1N23)ccc5O |r|
Show InChI InChI=1S/C25H32N2O6/c1-13(2)10-26-8-7-23-19-14-3-4-15(28)20(19)32-21(23)24(5-6-25(23,29)16(26)9-14)22-27-17(11-31-22)30-12-18(27)33-24/h3-4,13,16-18,21-22,28-29H,5-12H2,1-2H3/t16-,17-,18-,21-,22-,23+,24+,25-/m1/s1
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79.1n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 7551-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.023
BindingDB Entry DOI: 10.7270/Q29P32T1
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50402464
PNG
(CHEMBL2204022)
Show SMILES Oc1ccc2C[C@H]3N(Cc4ccccc4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35O)O[C@H]2CO[C@H]3CO[C@@H]1N23 |r|
Show InChI InChI=1S/C28H30N2O6/c31-18-7-6-17-12-19-28(32)9-8-27(25-30-20(14-34-25)33-15-21(30)36-27)24-26(28,22(17)23(18)35-24)10-11-29(19)13-16-4-2-1-3-5-16/h1-7,19-21,24-25,31-32H,8-15H2/t19-,20+,21+,24-,25+,26+,27+,28-/m1/s1
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84n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 7551-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.023
BindingDB Entry DOI: 10.7270/Q29P32T1
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50402468
PNG
(CHEMBL2204034)
Show SMILES CC(C)CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CC[C@]41O[C@H]2CO[C@H]3CO[C@@H]1N23)ccc5O |r|
Show InChI InChI=1S/C25H32N2O6/c1-13(2)10-26-8-7-23-19-14-3-4-15(28)20(19)32-21(23)24(5-6-25(23,29)16(26)9-14)22-27-17(11-31-22)30-12-18(27)33-24/h3-4,13,16-18,21-22,28-29H,5-12H2,1-2H3/t16-,17+,18+,21-,22+,23+,24+,25-/m1/s1
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85.7n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 7551-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.023
BindingDB Entry DOI: 10.7270/Q29P32T1
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50402467
PNG
(CHEMBL2204035)
Show SMILES CC(C)CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CC[C@]41O[C@H]2N3[C@H](OC2(C)C)C(C)(C)O[C@H]13)ccc5O |r|
Show InChI InChI=1S/C29H40N2O6/c1-15(2)14-30-12-11-27-19-16-7-8-17(32)20(19)34-21(27)28(9-10-29(27,33)18(30)13-16)24-31-22(25(3,4)36-24)35-26(5,6)23(31)37-28/h7-8,15,18,21-24,32-33H,9-14H2,1-6H3/t18-,21-,22-,23-,24-,27+,28+,29-/m1/s1
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88.1n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 7551-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.023
BindingDB Entry DOI: 10.7270/Q29P32T1
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50402469
PNG
(CHEMBL2204033)
Show SMILES CC(C)CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CC[C@]41O[C@@H]2CO[C@@H]3CO[C@H]1N23)ccc5O |r|
Show InChI InChI=1S/C25H32N2O6/c1-13(2)10-26-8-7-23-19-14-3-4-15(28)20(19)32-21(23)24(5-6-25(23,29)16(26)9-14)22-27-17(11-31-22)30-12-18(27)33-24/h3-4,13,16-18,21-22,28-29H,5-12H2,1-2H3/t16-,17-,18-,21-,22-,23+,24+,25-/m1/s1
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99.1n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 7551-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.023
BindingDB Entry DOI: 10.7270/Q29P32T1
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50402461
PNG
(CHEMBL2204025)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35O)O[C@@H]2CO[C@@H]3CO[C@H]1N23 |r|
Show InChI InChI=1S/C25H30N2O6/c28-15-4-3-14-9-16-25(29)6-5-24(22-27-17(11-31-22)30-12-18(27)33-24)21-23(25,19(14)20(15)32-21)7-8-26(16)10-13-1-2-13/h3-4,13,16-18,21-22,28-29H,1-2,5-12H2/t16-,17-,18-,21-,22-,23+,24+,25-/m1/s1
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99.8n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 7551-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.023
BindingDB Entry DOI: 10.7270/Q29P32T1
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50402472
PNG
(CHEMBL2204029)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CC[C@]41O[C@@H]2CO[C@@H]3CO[C@H]1N23)ccc5O |r|
Show InChI InChI=1S/C22H26N2O6/c1-23-7-6-20-16-11-2-3-12(25)17(16)29-18(20)21(4-5-22(20,26)13(23)8-11)19-24-14(9-28-19)27-10-15(24)30-21/h2-3,13-15,18-19,25-26H,4-10H2,1H3/t13-,14-,15-,18-,19-,20+,21+,22-/m1/s1
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109n/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 guinea pig cerebellum


Bioorg Med Chem Lett 22: 7551-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.023
BindingDB Entry DOI: 10.7270/Q29P32T1
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50402471
PNG
(CHEMBL2204030)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CC[C@]41O[C@H]2CO[C@H]3CO[C@@H]1N23)ccc5O |r|
Show InChI InChI=1S/C22H26N2O6/c1-23-7-6-20-16-11-2-3-12(25)17(16)29-18(20)21(4-5-22(20,26)13(23)8-11)19-24-14(9-28-19)27-10-15(24)30-21/h2-3,13-15,18-19,25-26H,4-10H2,1H3/t13-,14+,15+,18-,19+,20+,21+,22-/m1/s1
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133n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 7551-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.023
BindingDB Entry DOI: 10.7270/Q29P32T1
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50402466
PNG
(CHEMBL2204036)
Show SMILES CC(C)CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CC[C@]41O[C@@H]2N3[C@@H](OC2(C)C)C(C)(C)O[C@@H]13)ccc5O |r|
Show InChI InChI=1S/C29H40N2O6/c1-15(2)14-30-12-11-27-19-16-7-8-17(32)20(19)34-21(27)28(9-10-29(27,33)18(30)13-16)24-31-22(25(3,4)36-24)35-26(5,6)23(31)37-28/h7-8,15,18,21-24,32-33H,9-14H2,1-6H3/t18-,21-,22+,23+,24+,27+,28+,29-/m1/s1
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134n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 7551-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.023
BindingDB Entry DOI: 10.7270/Q29P32T1
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50402472
PNG
(CHEMBL2204029)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CC[C@]41O[C@@H]2CO[C@@H]3CO[C@H]1N23)ccc5O |r|
Show InChI InChI=1S/C22H26N2O6/c1-23-7-6-20-16-11-2-3-12(25)17(16)29-18(20)21(4-5-22(20,26)13(23)8-11)19-24-14(9-28-19)27-10-15(24)30-21/h2-3,13-15,18-19,25-26H,4-10H2,1H3/t13-,14-,15-,18-,19-,20+,21+,22-/m1/s1
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171n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 7551-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.023
BindingDB Entry DOI: 10.7270/Q29P32T1
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50402463
PNG
(CHEMBL2204023)
Show SMILES CC1(C)O[C@H]2N3[C@@H]1OC(C)(C)[C@H]3O[C@]21CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3Cc1ccccc1)c45 |r|
Show InChI InChI=1S/C32H38N2O6/c1-28(2)25-34-26(29(3,4)38-25)40-31(27(34)39-28)12-13-32(36)21-16-19-10-11-20(35)23-22(19)30(32,24(31)37-23)14-15-33(21)17-18-8-6-5-7-9-18/h5-11,21,24-27,35-36H,12-17H2,1-4H3/t21-,24-,25-,26-,27-,30+,31+,32-/m1/s1
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450n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 7551-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.023
BindingDB Entry DOI: 10.7270/Q29P32T1
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50402466
PNG
(CHEMBL2204036)
Show SMILES CC(C)CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CC[C@]41O[C@@H]2N3[C@@H](OC2(C)C)C(C)(C)O[C@@H]13)ccc5O |r|
Show InChI InChI=1S/C29H40N2O6/c1-15(2)14-30-12-11-27-19-16-7-8-17(32)20(19)34-21(27)28(9-10-29(27,33)18(30)13-16)24-31-22(25(3,4)36-24)35-26(5,6)23(31)37-28/h7-8,15,18,21-24,32-33H,9-14H2,1-6H3/t18-,21-,22+,23+,24+,27+,28+,29-/m1/s1
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541n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 7551-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.023
BindingDB Entry DOI: 10.7270/Q29P32T1
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50402464
PNG
(CHEMBL2204022)
Show SMILES Oc1ccc2C[C@H]3N(Cc4ccccc4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35O)O[C@H]2CO[C@H]3CO[C@@H]1N23 |r|
Show InChI InChI=1S/C28H30N2O6/c31-18-7-6-17-12-19-28(32)9-8-27(25-30-20(14-34-25)33-15-21(30)36-27)24-26(28,22(17)23(18)35-24)10-11-29(19)13-16-4-2-1-3-5-16/h1-7,19-21,24-25,31-32H,8-15H2/t19-,20+,21+,24-,25+,26+,27+,28-/m1/s1
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581n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 7551-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.023
BindingDB Entry DOI: 10.7270/Q29P32T1
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50402468
PNG
(CHEMBL2204034)
Show SMILES CC(C)CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CC[C@]41O[C@H]2CO[C@H]3CO[C@@H]1N23)ccc5O |r|
Show InChI InChI=1S/C25H32N2O6/c1-13(2)10-26-8-7-23-19-14-3-4-15(28)20(19)32-21(23)24(5-6-25(23,29)16(26)9-14)22-27-17(11-31-22)30-12-18(27)33-24/h3-4,13,16-18,21-22,28-29H,5-12H2,1-2H3/t16-,17+,18+,21-,22+,23+,24+,25-/m1/s1
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848n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 7551-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.023
BindingDB Entry DOI: 10.7270/Q29P32T1
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50402460
PNG
(CHEMBL2204031)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CC[C@]41O[C@H]2N3[C@H](OC2(C)C)C(C)(C)O[C@H]13)ccc5O |r|
Show InChI InChI=1S/C26H34N2O6/c1-22(2)19-28-20(23(3,4)32-19)34-25(21(28)33-22)8-9-26(30)15-12-13-6-7-14(29)17-16(13)24(26,18(25)31-17)10-11-27(15)5/h6-7,15,18-21,29-30H,8-12H2,1-5H3/t15-,18-,19-,20-,21-,24+,25+,26-/m1/s1
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>1.00E+3n/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 guinea pig cerebellum


Bioorg Med Chem Lett 22: 7551-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.023
BindingDB Entry DOI: 10.7270/Q29P32T1
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50402470
PNG
(CHEMBL2204032)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CC[C@]41O[C@@H]2N3[C@@H](OC2(C)C)C(C)(C)O[C@@H]13)ccc5O |r|
Show InChI InChI=1S/C26H34N2O6/c1-22(2)19-28-20(23(3,4)32-19)34-25(21(28)33-22)8-9-26(30)15-12-13-6-7-14(29)17-16(13)24(26,18(25)31-17)10-11-27(15)5/h6-7,15,18-21,29-30H,8-12H2,1-5H3/t15-,18-,19+,20+,21+,24+,25+,26-/m1/s1
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>1.00E+3n/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 guinea pig cerebellum


Bioorg Med Chem Lett 22: 7551-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.023
BindingDB Entry DOI: 10.7270/Q29P32T1
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50402469
PNG
(CHEMBL2204033)
Show SMILES CC(C)CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CC[C@]41O[C@@H]2CO[C@@H]3CO[C@H]1N23)ccc5O |r|
Show InChI InChI=1S/C25H32N2O6/c1-13(2)10-26-8-7-23-19-14-3-4-15(28)20(19)32-21(23)24(5-6-25(23,29)16(26)9-14)22-27-17(11-31-22)30-12-18(27)33-24/h3-4,13,16-18,21-22,28-29H,5-12H2,1-2H3/t16-,17-,18-,21-,22-,23+,24+,25-/m1/s1
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>1.00E+3n/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 guinea pig cerebellum


Bioorg Med Chem Lett 22: 7551-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.023
BindingDB Entry DOI: 10.7270/Q29P32T1
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50402468
PNG
(CHEMBL2204034)
Show SMILES CC(C)CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CC[C@]41O[C@H]2CO[C@H]3CO[C@@H]1N23)ccc5O |r|
Show InChI InChI=1S/C25H32N2O6/c1-13(2)10-26-8-7-23-19-14-3-4-15(28)20(19)32-21(23)24(5-6-25(23,29)16(26)9-14)22-27-17(11-31-22)30-12-18(27)33-24/h3-4,13,16-18,21-22,28-29H,5-12H2,1-2H3/t16-,17+,18+,21-,22+,23+,24+,25-/m1/s1
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>1.00E+3n/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 guinea pig cerebellum


Bioorg Med Chem Lett 22: 7551-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.023
BindingDB Entry DOI: 10.7270/Q29P32T1
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50402467
PNG
(CHEMBL2204035)
Show SMILES CC(C)CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CC[C@]41O[C@H]2N3[C@H](OC2(C)C)C(C)(C)O[C@H]13)ccc5O |r|
Show InChI InChI=1S/C29H40N2O6/c1-15(2)14-30-12-11-27-19-16-7-8-17(32)20(19)34-21(27)28(9-10-29(27,33)18(30)13-16)24-31-22(25(3,4)36-24)35-26(5,6)23(31)37-28/h7-8,15,18,21-24,32-33H,9-14H2,1-6H3/t18-,21-,22-,23-,24-,27+,28+,29-/m1/s1
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>1.00E+3n/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 guinea pig cerebellum


Bioorg Med Chem Lett 22: 7551-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.023
BindingDB Entry DOI: 10.7270/Q29P32T1
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50402466
PNG
(CHEMBL2204036)
Show SMILES CC(C)CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CC[C@]41O[C@@H]2N3[C@@H](OC2(C)C)C(C)(C)O[C@@H]13)ccc5O |r|
Show InChI InChI=1S/C29H40N2O6/c1-15(2)14-30-12-11-27-19-16-7-8-17(32)20(19)34-21(27)28(9-10-29(27,33)18(30)13-16)24-31-22(25(3,4)36-24)35-26(5,6)23(31)37-28/h7-8,15,18,21-24,32-33H,9-14H2,1-6H3/t18-,21-,22+,23+,24+,27+,28+,29-/m1/s1
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>1.00E+3n/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 guinea pig cerebellum


Bioorg Med Chem Lett 22: 7551-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.023
BindingDB Entry DOI: 10.7270/Q29P32T1
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50402465
PNG
(CHEMBL2204021)
Show SMILES Oc1ccc2C[C@H]3N(Cc4ccccc4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35O)O[C@@H]2CO[C@@H]3CO[C@H]1N23 |r|
Show InChI InChI=1S/C28H30N2O6/c31-18-7-6-17-12-19-28(32)9-8-27(25-30-20(14-34-25)33-15-21(30)36-27)24-26(28,22(17)23(18)35-24)10-11-29(19)13-16-4-2-1-3-5-16/h1-7,19-21,24-25,31-32H,8-15H2/t19-,20-,21-,24-,25-,26+,27+,28-/m1/s1
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>1.00E+3n/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 guinea pig cerebellum


Bioorg Med Chem Lett 22: 7551-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.023
BindingDB Entry DOI: 10.7270/Q29P32T1
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50402464
PNG
(CHEMBL2204022)
Show SMILES Oc1ccc2C[C@H]3N(Cc4ccccc4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35O)O[C@H]2CO[C@H]3CO[C@@H]1N23 |r|
Show InChI InChI=1S/C28H30N2O6/c31-18-7-6-17-12-19-28(32)9-8-27(25-30-20(14-34-25)33-15-21(30)36-27)24-26(28,22(17)23(18)35-24)10-11-29(19)13-16-4-2-1-3-5-16/h1-7,19-21,24-25,31-32H,8-15H2/t19-,20+,21+,24-,25+,26+,27+,28-/m1/s1
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>1.00E+3n/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 guinea pig cerebellum


Bioorg Med Chem Lett 22: 7551-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.023
BindingDB Entry DOI: 10.7270/Q29P32T1
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50402463
PNG
(CHEMBL2204023)
Show SMILES CC1(C)O[C@H]2N3[C@@H]1OC(C)(C)[C@H]3O[C@]21CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3Cc1ccccc1)c45 |r|
Show InChI InChI=1S/C32H38N2O6/c1-28(2)25-34-26(29(3,4)38-25)40-31(27(34)39-28)12-13-32(36)21-16-19-10-11-20(35)23-22(19)30(32,24(31)37-23)14-15-33(21)17-18-8-6-5-7-9-18/h5-11,21,24-27,35-36H,12-17H2,1-4H3/t21-,24-,25-,26-,27-,30+,31+,32-/m1/s1
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>1.00E+3n/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 guinea pig cerebellum


Bioorg Med Chem Lett 22: 7551-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.023
BindingDB Entry DOI: 10.7270/Q29P32T1
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50402462
PNG
(CHEMBL2204024)
Show SMILES CC1(C)O[C@@H]2N3[C@H]1OC(C)(C)[C@@H]3O[C@]21CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3Cc1ccccc1)c45 |r|
Show InChI InChI=1S/C32H38N2O6/c1-28(2)25-34-26(29(3,4)38-25)40-31(27(34)39-28)12-13-32(36)21-16-19-10-11-20(35)23-22(19)30(32,24(31)37-23)14-15-33(21)17-18-8-6-5-7-9-18/h5-11,21,24-27,35-36H,12-17H2,1-4H3/t21-,24-,25+,26+,27+,30+,31+,32-/m1/s1
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>1.00E+3n/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 guinea pig cerebellum


Bioorg Med Chem Lett 22: 7551-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.023
BindingDB Entry DOI: 10.7270/Q29P32T1
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50402462
PNG
(CHEMBL2204024)
Show SMILES CC1(C)O[C@@H]2N3[C@H]1OC(C)(C)[C@@H]3O[C@]21CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3Cc1ccccc1)c45 |r|
Show InChI InChI=1S/C32H38N2O6/c1-28(2)25-34-26(29(3,4)38-25)40-31(27(34)39-28)12-13-32(36)21-16-19-10-11-20(35)23-22(19)30(32,24(31)37-23)14-15-33(21)17-18-8-6-5-7-9-18/h5-11,21,24-27,35-36H,12-17H2,1-4H3/t21-,24-,25+,26+,27+,30+,31+,32-/m1/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 7551-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.023
BindingDB Entry DOI: 10.7270/Q29P32T1
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50402465
PNG
(CHEMBL2204021)
Show SMILES Oc1ccc2C[C@H]3N(Cc4ccccc4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35O)O[C@@H]2CO[C@@H]3CO[C@H]1N23 |r|
Show InChI InChI=1S/C28H30N2O6/c31-18-7-6-17-12-19-28(32)9-8-27(25-30-20(14-34-25)33-15-21(30)36-27)24-26(28,22(17)23(18)35-24)10-11-29(19)13-16-4-2-1-3-5-16/h1-7,19-21,24-25,31-32H,8-15H2/t19-,20-,21-,24-,25-,26+,27+,28-/m1/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 7551-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.023
BindingDB Entry DOI: 10.7270/Q29P32T1
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50402467
PNG
(CHEMBL2204035)
Show SMILES CC(C)CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CC[C@]41O[C@H]2N3[C@H](OC2(C)C)C(C)(C)O[C@H]13)ccc5O |r|
Show InChI InChI=1S/C29H40N2O6/c1-15(2)14-30-12-11-27-19-16-7-8-17(32)20(19)34-21(27)28(9-10-29(27,33)18(30)13-16)24-31-22(25(3,4)36-24)35-26(5,6)23(31)37-28/h7-8,15,18,21-24,32-33H,9-14H2,1-6H3/t18-,21-,22-,23-,24-,27+,28+,29-/m1/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 7551-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.023
BindingDB Entry DOI: 10.7270/Q29P32T1
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50402465
PNG
(CHEMBL2204021)
Show SMILES Oc1ccc2C[C@H]3N(Cc4ccccc4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35O)O[C@@H]2CO[C@@H]3CO[C@H]1N23 |r|
Show InChI InChI=1S/C28H30N2O6/c31-18-7-6-17-12-19-28(32)9-8-27(25-30-20(14-34-25)33-15-21(30)36-27)24-26(28,22(17)23(18)35-24)10-11-29(19)13-16-4-2-1-3-5-16/h1-7,19-21,24-25,31-32H,8-15H2/t19-,20-,21-,24-,25-,26+,27+,28-/m1/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 7551-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.023
BindingDB Entry DOI: 10.7270/Q29P32T1
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50402462
PNG
(CHEMBL2204024)
Show SMILES CC1(C)O[C@@H]2N3[C@H]1OC(C)(C)[C@@H]3O[C@]21CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3Cc1ccccc1)c45 |r|
Show InChI InChI=1S/C32H38N2O6/c1-28(2)25-34-26(29(3,4)38-25)40-31(27(34)39-28)12-13-32(36)21-16-19-10-11-20(35)23-22(19)30(32,24(31)37-23)14-15-33(21)17-18-8-6-5-7-9-18/h5-11,21,24-27,35-36H,12-17H2,1-4H3/t21-,24-,25+,26+,27+,30+,31+,32-/m1/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 7551-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.023
BindingDB Entry DOI: 10.7270/Q29P32T1
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50402463
PNG
(CHEMBL2204023)
Show SMILES CC1(C)O[C@H]2N3[C@@H]1OC(C)(C)[C@H]3O[C@]21CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3Cc1ccccc1)c45 |r|
Show InChI InChI=1S/C32H38N2O6/c1-28(2)25-34-26(29(3,4)38-25)40-31(27(34)39-28)12-13-32(36)21-16-19-10-11-20(35)23-22(19)30(32,24(31)37-23)14-15-33(21)17-18-8-6-5-7-9-18/h5-11,21,24-27,35-36H,12-17H2,1-4H3/t21-,24-,25-,26-,27-,30+,31+,32-/m1/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 7551-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.023
BindingDB Entry DOI: 10.7270/Q29P32T1
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50402471
PNG
(CHEMBL2204030)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CC[C@]41O[C@H]2CO[C@H]3CO[C@@H]1N23)ccc5O |r|
Show InChI InChI=1S/C22H26N2O6/c1-23-7-6-20-16-11-2-3-12(25)17(16)29-18(20)21(4-5-22(20,26)13(23)8-11)19-24-14(9-28-19)27-10-15(24)30-21/h2-3,13-15,18-19,25-26H,4-10H2,1H3/t13-,14+,15+,18-,19+,20+,21+,22-/m1/s1
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>1.00E+3n/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 guinea pig cerebellum


Bioorg Med Chem Lett 22: 7551-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.023
BindingDB Entry DOI: 10.7270/Q29P32T1
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50402461
PNG
(CHEMBL2204025)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35O)O[C@@H]2CO[C@@H]3CO[C@H]1N23 |r|
Show InChI InChI=1S/C25H30N2O6/c28-15-4-3-14-9-16-25(29)6-5-24(22-27-17(11-31-22)30-12-18(27)33-24)21-23(25,19(14)20(15)32-21)7-8-26(16)10-13-1-2-13/h3-4,13,16-18,21-22,28-29H,1-2,5-12H2/t16-,17-,18-,21-,22-,23+,24+,25-/m1/s1
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n/an/an/an/a 25n/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding after 2 hrs by liquid scintillation countin...


Bioorg Med Chem Lett 22: 7551-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.023
BindingDB Entry DOI: 10.7270/Q29P32T1
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50402460
PNG
(CHEMBL2204031)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CC[C@]41O[C@H]2N3[C@H](OC2(C)C)C(C)(C)O[C@H]13)ccc5O |r|
Show InChI InChI=1S/C26H34N2O6/c1-22(2)19-28-20(23(3,4)32-19)34-25(21(28)33-22)8-9-26(30)15-12-13-6-7-14(29)17-16(13)24(26,18(25)31-17)10-11-27(15)5/h6-7,15,18-21,29-30H,8-12H2,1-5H3/t15-,18-,19-,20-,21-,24+,25+,26-/m1/s1
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n/an/an/an/a 6n/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding after 2 hrs by liquid scintillation counting


Bioorg Med Chem Lett 22: 7551-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.023
BindingDB Entry DOI: 10.7270/Q29P32T1
More data for this
Ligand-Target Pair