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Compile Data Set for Download or QSAR

Found 22 hits with Last Name = 'hanamura' and Initial = 's'   
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


(Cavia porcellus (domestic guinea pig))
BDBM50325534
PNG
(CHEMBL267495 | nalfurafine)
Show SMILES CN([C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)\C=C\c1ccoc1
Show InChI InChI=1S/C28H32N2O5/c1-29(23(32)7-4-18-9-13-34-16-18)20-8-10-28(33)22-14-19-5-6-21(31)25-24(19)27(28,26(20)35-25)11-12-30(22)15-17-2-3-17/h4-7,9,13,16-17,20,22,26,31,33H,2-3,8,10-12,14-15H2,1H3/b7-4+/t20-,22-,26+,27+,28-/m1/s1
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0.225n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 5035-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.035
BindingDB Entry DOI: 10.7270/Q2CJ8DPH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50325531
PNG
(CHEMBL1223834)
Show SMILES Cn1c(CCC(=O)CCc2ccccc2)cc2C[C@@]3(O)[C@H]4Cc5ccc(O)c6O[C@@H](c12)[C@]3(CCN4CC1CC1)c56 |r|
Show InChI InChI=1S/C34H38N2O4/c1-35-25(11-13-26(37)12-9-21-5-3-2-4-6-21)17-24-19-34(39)28-18-23-10-14-27(38)31-29(23)33(34,32(40-31)30(24)35)15-16-36(28)20-22-7-8-22/h2-6,10,14,17,22,28,32,38-39H,7-9,11-13,15-16,18-20H2,1H3/t28-,32+,33+,34-/m1/s1
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0.342n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 5035-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.035
BindingDB Entry DOI: 10.7270/Q2CJ8DPH
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50325528
PNG
(CHEMBL1223831)
Show SMILES Cn1c(\C=C\C(=O)c2ccccc2)cc2C[C@@]3(O)[C@H]4Cc5ccc(O)c6O[C@@H](c12)[C@]3(CCN4CC1CC1)c56 |r|
Show InChI InChI=1S/C32H32N2O4/c1-33-23(10-12-24(35)20-5-3-2-4-6-20)15-22-17-32(37)26-16-21-9-11-25(36)29-27(21)31(32,30(38-29)28(22)33)13-14-34(26)18-19-7-8-19/h2-6,9-12,15,19,26,30,36-37H,7-8,13-14,16-18H2,1H3/b12-10+/t26-,30+,31+,32-/m1/s1
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0.467n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 5035-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.035
BindingDB Entry DOI: 10.7270/Q2CJ8DPH
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50325531
PNG
(CHEMBL1223834)
Show SMILES Cn1c(CCC(=O)CCc2ccccc2)cc2C[C@@]3(O)[C@H]4Cc5ccc(O)c6O[C@@H](c12)[C@]3(CCN4CC1CC1)c56 |r|
Show InChI InChI=1S/C34H38N2O4/c1-35-25(11-13-26(37)12-9-21-5-3-2-4-6-21)17-24-19-34(39)28-18-23-10-14-27(38)31-29(23)33(34,32(40-31)30(24)35)15-16-36(28)20-22-7-8-22/h2-6,10,14,17,22,28,32,38-39H,7-9,11-13,15-16,18-20H2,1H3/t28-,32+,33+,34-/m1/s1
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0.548n/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 forebrain


Bioorg Med Chem Lett 20: 5035-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.035
BindingDB Entry DOI: 10.7270/Q2CJ8DPH
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50325534
PNG
(CHEMBL267495 | nalfurafine)
Show SMILES CN([C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)\C=C\c1ccoc1
Show InChI InChI=1S/C28H32N2O5/c1-29(23(32)7-4-18-9-13-34-16-18)20-8-10-28(33)22-14-19-5-6-21(31)25-24(19)27(28,26(20)35-25)11-12-30(22)15-17-2-3-17/h4-7,9,13,16-17,20,22,26,31,33H,2-3,8,10-12,14-15H2,1H3/b7-4+/t20-,22-,26+,27+,28-/m1/s1
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0.582n/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 forebrain


Bioorg Med Chem Lett 20: 5035-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.035
BindingDB Entry DOI: 10.7270/Q2CJ8DPH
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM82551
PNG
(C18130 | CAS_105618-26-6 | NOR-BNI (HCI)2 | NORBNI)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(C[C@H]8N(CC9CC9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O |r|
Show InChI InChI=1S/C40H43N3O6/c44-25-7-5-21-13-27-39(46)15-23-24-16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,10-12-43(28)18-20-3-4-20)36(49-34)32(24)41-31(23)35-37(39,29(21)33(25)48-35)9-11-42(27)17-19-1-2-19/h5-8,19-20,27-28,35-36,41,44-47H,1-4,9-18H2/t27-,28-,35+,36+,37+,38+,39-,40-/m1/s1
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0.861n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 5035-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.035
BindingDB Entry DOI: 10.7270/Q2CJ8DPH
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50325526
PNG
(CHEMBL1223773)
Show SMILES Cn1c(C=CC(=O)CCc2ccccc2)cc2C[C@@]3(O)[C@H]4Cc5ccc(O)c6O[C@@H](c12)[C@]3(CCN4CC1CC1)c56 |r,w:3.2|
Show InChI InChI=1S/C34H36N2O4/c1-35-25(11-13-26(37)12-9-21-5-3-2-4-6-21)17-24-19-34(39)28-18-23-10-14-27(38)31-29(23)33(34,32(40-31)30(24)35)15-16-36(28)20-22-7-8-22/h2-6,10-11,13-14,17,22,28,32,38-39H,7-9,12,15-16,18-20H2,1H3/t28-,32+,33+,34-/m1/s1
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0.935n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 5035-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.035
BindingDB Entry DOI: 10.7270/Q2CJ8DPH
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50325527
PNG
(CHEMBL1223774)
Show SMILES Cn1c(C=CC(=O)Cc2ccccc2)cc2C[C@@]3(O)[C@H]4Cc5ccc(O)c6O[C@@H](c12)[C@]3(CCN4CC1CC1)c56 |r,w:3.2|
Show InChI InChI=1S/C33H34N2O4/c1-34-24(10-11-25(36)15-20-5-3-2-4-6-20)16-23-18-33(38)27-17-22-9-12-26(37)30-28(22)32(33,31(39-30)29(23)34)13-14-35(27)19-21-7-8-21/h2-6,9-12,16,21,27,31,37-38H,7-8,13-15,17-19H2,1H3/t27-,31+,32+,33-/m1/s1
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1.13n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 5035-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.035
BindingDB Entry DOI: 10.7270/Q2CJ8DPH
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50325529
PNG
(CHEMBL1223832)
Show SMILES Cc1occc1C(=O)C=Cc1cc2C[C@@]3(O)[C@H]4Cc5ccc(O)c6O[C@@H](c2n1C)[C@]3(CCN4CC1CC1)c56 |r,w:9.10|
Show InChI InChI=1S/C31H32N2O5/c1-17-22(9-12-37-17)23(34)8-6-21-13-20-15-31(36)25-14-19-5-7-24(35)28-26(19)30(31,29(38-28)27(20)32(21)2)10-11-33(25)16-18-3-4-18/h5-9,12-13,18,25,29,35-36H,3-4,10-11,14-16H2,1-2H3/t25-,29+,30+,31-/m1/s1
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1.15n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 5035-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.035
BindingDB Entry DOI: 10.7270/Q2CJ8DPH
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50325530
PNG
(CHEMBL1223833)
Show SMILES CCCCCC(=O)C=Cc1cc2C[C@@]3(O)[C@H]4Cc5ccc(O)c6O[C@@H](c2n1C)[C@]3(CCN4CC1CC1)c56 |r,w:8.8|
Show InChI InChI=1S/C31H38N2O4/c1-3-4-5-6-23(34)11-10-22-15-21-17-31(36)25-16-20-9-12-24(35)28-26(20)30(31,29(37-28)27(21)32(22)2)13-14-33(25)18-19-7-8-19/h9-12,15,19,25,29,35-36H,3-8,13-14,16-18H2,1-2H3/t25-,29+,30+,31-/m1/s1
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1.24n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 5035-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.035
BindingDB Entry DOI: 10.7270/Q2CJ8DPH
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50325532
PNG
(CHEMBL1223889)
Show SMILES Cn1c(\C=C\c2ccccc2)cc2C[C@@]3(O)[C@H]4Cc5ccc(O)c6O[C@@H](c12)[C@]3(CCN4CC1CC1)c56 |r|
Show InChI InChI=1S/C31H32N2O3/c1-32-23(11-9-19-5-3-2-4-6-19)15-22-17-31(35)25-16-21-10-12-24(34)28-26(21)30(31,29(36-28)27(22)32)13-14-33(25)18-20-7-8-20/h2-6,9-12,15,20,25,29,34-35H,7-8,13-14,16-18H2,1H3/b11-9+/t25-,29+,30+,31-/m1/s1
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1.76n/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 forebrain


Bioorg Med Chem Lett 20: 5035-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.035
BindingDB Entry DOI: 10.7270/Q2CJ8DPH
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50325528
PNG
(CHEMBL1223831)
Show SMILES Cn1c(\C=C\C(=O)c2ccccc2)cc2C[C@@]3(O)[C@H]4Cc5ccc(O)c6O[C@@H](c12)[C@]3(CCN4CC1CC1)c56 |r|
Show InChI InChI=1S/C32H32N2O4/c1-33-23(10-12-24(35)20-5-3-2-4-6-20)15-22-17-32(37)26-16-21-9-11-25(36)29-27(21)31(32,30(38-29)28(22)33)13-14-34(26)18-19-7-8-19/h2-6,9-12,15,19,26,30,36-37H,7-8,13-14,16-18H2,1H3/b12-10+/t26-,30+,31+,32-/m1/s1
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3.76n/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 forebrain


Bioorg Med Chem Lett 20: 5035-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.035
BindingDB Entry DOI: 10.7270/Q2CJ8DPH
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50325532
PNG
(CHEMBL1223889)
Show SMILES Cn1c(\C=C\c2ccccc2)cc2C[C@@]3(O)[C@H]4Cc5ccc(O)c6O[C@@H](c12)[C@]3(CCN4CC1CC1)c56 |r|
Show InChI InChI=1S/C31H32N2O3/c1-32-23(11-9-19-5-3-2-4-6-19)15-22-17-31(35)25-16-21-10-12-24(34)28-26(21)30(31,29(36-28)27(22)32)13-14-33(25)18-20-7-8-20/h2-6,9-12,15,20,25,29,34-35H,7-8,13-14,16-18H2,1H3/b11-9+/t25-,29+,30+,31-/m1/s1
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3.79n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 5035-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.035
BindingDB Entry DOI: 10.7270/Q2CJ8DPH
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50264867
PNG
(CHEMBL490418 | N-isobutylnoroxymorphone)
Show SMILES CC(C)CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CCC4=O)ccc5O |r|
Show InChI InChI=1S/C20H25NO4/c1-11(2)10-21-8-7-19-16-12-3-4-13(22)17(16)25-18(19)14(23)5-6-20(19,24)15(21)9-12/h3-4,11,15,18,22,24H,5-10H2,1-2H3/t15-,18+,19+,20-/m1/s1
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5.57n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Binding affinity to mu opioid receptor in guinea pig forebrain


Bioorg Med Chem Lett 18: 4978-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.019
BindingDB Entry DOI: 10.7270/Q2J38TH9
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50325533
PNG
(CHEMBL1223890)
Show SMILES CCC\C=C\c1cc2C[C@@]3(O)[C@H]4Cc5ccc(O)c6O[C@@H](c2n1C)[C@]3(CCN4CC1CC1)c56 |r|
Show InChI InChI=1S/C28H34N2O3/c1-3-4-5-6-20-13-19-15-28(32)22-14-18-9-10-21(31)25-23(18)27(28,26(33-25)24(19)29(20)2)11-12-30(22)16-17-7-8-17/h5-6,9-10,13,17,22,26,31-32H,3-4,7-8,11-12,14-16H2,1-2H3/b6-5+/t22-,26+,27+,28-/m1/s1
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5.85n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 5035-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.035
BindingDB Entry DOI: 10.7270/Q2CJ8DPH
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50264867
PNG
(CHEMBL490418 | N-isobutylnoroxymorphone)
Show SMILES CC(C)CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CCC4=O)ccc5O |r|
Show InChI InChI=1S/C20H25NO4/c1-11(2)10-21-8-7-19-16-12-3-4-13(22)17(16)25-18(19)14(23)5-6-20(19,24)15(21)9-12/h3-4,11,15,18,22,24H,5-10H2,1-2H3/t15-,18+,19+,20-/m1/s1
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6.12n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Binding affinity to kappa opioid receptor in guinea pig cerebellum


Bioorg Med Chem Lett 18: 4978-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.019
BindingDB Entry DOI: 10.7270/Q2J38TH9
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50325529
PNG
(CHEMBL1223832)
Show SMILES Cc1occc1C(=O)C=Cc1cc2C[C@@]3(O)[C@H]4Cc5ccc(O)c6O[C@@H](c2n1C)[C@]3(CCN4CC1CC1)c56 |r,w:9.10|
Show InChI InChI=1S/C31H32N2O5/c1-17-22(9-12-37-17)23(34)8-6-21-13-20-15-31(36)25-14-19-5-7-24(35)28-26(19)30(31,29(38-28)27(20)32(21)2)10-11-33(25)16-18-3-4-18/h5-9,12-13,18,25,29,35-36H,3-4,10-11,14-16H2,1-2H3/t25-,29+,30+,31-/m1/s1
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6.20n/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 forebrain


Bioorg Med Chem Lett 20: 5035-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.035
BindingDB Entry DOI: 10.7270/Q2CJ8DPH
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50325527
PNG
(CHEMBL1223774)
Show SMILES Cn1c(C=CC(=O)Cc2ccccc2)cc2C[C@@]3(O)[C@H]4Cc5ccc(O)c6O[C@@H](c12)[C@]3(CCN4CC1CC1)c56 |r,w:3.2|
Show InChI InChI=1S/C33H34N2O4/c1-34-24(10-11-25(36)15-20-5-3-2-4-6-20)16-23-18-33(38)27-17-22-9-12-26(37)30-28(22)32(33,31(39-30)29(23)34)13-14-35(27)19-21-7-8-21/h2-6,9-12,16,21,27,31,37-38H,7-8,13-15,17-19H2,1H3/t27-,31+,32+,33-/m1/s1
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6.58n/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 forebrain


Bioorg Med Chem Lett 20: 5035-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.035
BindingDB Entry DOI: 10.7270/Q2CJ8DPH
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50325526
PNG
(CHEMBL1223773)
Show SMILES Cn1c(C=CC(=O)CCc2ccccc2)cc2C[C@@]3(O)[C@H]4Cc5ccc(O)c6O[C@@H](c12)[C@]3(CCN4CC1CC1)c56 |r,w:3.2|
Show InChI InChI=1S/C34H36N2O4/c1-35-25(11-13-26(37)12-9-21-5-3-2-4-6-21)17-24-19-34(39)28-18-23-10-14-27(38)31-29(23)33(34,32(40-31)30(24)35)15-16-36(28)20-22-7-8-22/h2-6,10-11,13-14,17,22,28,32,38-39H,7-9,12,15-16,18-20H2,1H3/t28-,32+,33+,34-/m1/s1
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6.89n/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 forebrain


Bioorg Med Chem Lett 20: 5035-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.035
BindingDB Entry DOI: 10.7270/Q2CJ8DPH
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50325533
PNG
(CHEMBL1223890)
Show SMILES CCC\C=C\c1cc2C[C@@]3(O)[C@H]4Cc5ccc(O)c6O[C@@H](c2n1C)[C@]3(CCN4CC1CC1)c56 |r|
Show InChI InChI=1S/C28H34N2O3/c1-3-4-5-6-20-13-19-15-28(32)22-14-18-9-10-21(31)25-23(18)27(28,26(33-25)24(19)29(20)2)11-12-30(22)16-17-7-8-17/h5-6,9-10,13,17,22,26,31-32H,3-4,7-8,11-12,14-16H2,1-2H3/b6-5+/t22-,26+,27+,28-/m1/s1
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7.38n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 5035-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.035
BindingDB Entry DOI: 10.7270/Q2CJ8DPH
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50325530
PNG
(CHEMBL1223833)
Show SMILES CCCCCC(=O)C=Cc1cc2C[C@@]3(O)[C@H]4Cc5ccc(O)c6O[C@@H](c2n1C)[C@]3(CCN4CC1CC1)c56 |r,w:8.8|
Show InChI InChI=1S/C31H38N2O4/c1-3-4-5-6-23(34)11-10-22-15-21-17-31(36)25-16-20-9-12-24(35)28-26(20)30(31,29(37-28)27(21)32(22)2)13-14-33(25)18-19-7-8-19/h9-12,15,19,25,29,35-36H,3-8,13-14,16-18H2,1-2H3/t25-,29+,30+,31-/m1/s1
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15n/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 forebrain


Bioorg Med Chem Lett 20: 5035-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.035
BindingDB Entry DOI: 10.7270/Q2CJ8DPH
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM82551
PNG
(C18130 | CAS_105618-26-6 | NOR-BNI (HCI)2 | NORBNI)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(C[C@H]8N(CC9CC9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O |r|
Show InChI InChI=1S/C40H43N3O6/c44-25-7-5-21-13-27-39(46)15-23-24-16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,10-12-43(28)18-20-3-4-20)36(49-34)32(24)41-31(23)35-37(39,29(21)33(25)48-35)9-11-42(27)17-19-1-2-19/h5-8,19-20,27-28,35-36,41,44-47H,1-4,9-18H2/t27-,28-,35+,36+,37+,38+,39-,40-/m1/s1
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28.2n/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 forebrain


Bioorg Med Chem Lett 20: 5035-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.035
BindingDB Entry DOI: 10.7270/Q2CJ8DPH
More data for this
Ligand-Target Pair