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Compile Data Set for Download or QSAR

Found 257 hits with Last Name = 'nakao' and Initial = 'k'   
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


(MOUSE)
BDBM50329100
PNG
(CHEMBL1270475)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(Cc5nc6ccccc6cc5C[C@@]34O)c2c1 |r,THB:8:7:27:4.29.5|
Show InChI InChI=1S/C27H28N2O2/c30-21-8-7-18-12-25-27(31)14-20-11-19-3-1-2-4-23(19)28-24(20)15-26(27,22(18)13-21)9-10-29(25)16-17-5-6-17/h1-4,7-8,11,13,17,25,30-31H,5-6,9-10,12,14-16H2/t25-,26-,27-/m1/s1
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0.140n/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 membranes


Bioorg Med Chem Lett 20: 6302-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.083
BindingDB Entry DOI: 10.7270/Q2G73DZ1
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50294428
PNG
(CHEMBL552308 | SN-28)
Show SMILES CN1CC[C@]23Cc4nc5ccccc5cc4C[C@H]2[C@H]1Cc1ccc(O)cc31 |r,THB:0:1:17:26.20.19|
Show InChI InChI=1S/C24H24N2O/c1-26-9-8-24-14-22-17(10-16-4-2-3-5-21(16)25-22)11-20(24)23(26)12-15-6-7-18(27)13-19(15)24/h2-7,10,13,20,23,27H,8-9,11-12,14H2,1H3/t20-,23+,24+/m0/s1
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0.140n/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 membranes


Bioorg Med Chem Lett 20: 6302-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.083
BindingDB Entry DOI: 10.7270/Q2G73DZ1
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50329095
PNG
(CHEMBL1270282)
Show SMILES CN1CC[C@]23Cc4nc5ccccc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc31 |r,THB:0:1:17:21.27.20|
Show InChI InChI=1S/C24H24N2O2/c1-26-9-8-23-14-21-17(10-16-4-2-3-5-20(16)25-21)13-24(23,28)22(26)11-15-6-7-18(27)12-19(15)23/h2-7,10,12,22,27-28H,8-9,11,13-14H2,1H3/t22-,23-,24-/m1/s1
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0.160n/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 membranes


Bioorg Med Chem Lett 20: 6302-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.083
BindingDB Entry DOI: 10.7270/Q2G73DZ1
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50329098
PNG
(CHEMBL1270383)
Show SMILES Oc1ccc2C[C@H]3N(CC4CCC4)CC[C@@]4(Cc5nc6ccccc6cc5C[C@@]34O)c2c1 |r,THB:8:7:28:4.30.5|
Show InChI InChI=1S/C28H30N2O2/c31-22-9-8-19-13-26-28(32)15-21-12-20-6-1-2-7-24(20)29-25(21)16-27(28,23(19)14-22)10-11-30(26)17-18-4-3-5-18/h1-2,6-9,12,14,18,26,31-32H,3-5,10-11,13,15-17H2/t26-,27-,28-/m1/s1
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0.210n/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 membranes


Bioorg Med Chem Lett 20: 6302-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.083
BindingDB Entry DOI: 10.7270/Q2G73DZ1
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50274257
PNG
((2E)-N-[(1S,5R,13R,14R,17S)-4-(cyclopropylmethyl)-...)
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\c1ccco1 |r,TLB:4:5:9.25.8:18.20.19,THB:6:5:9.25.8:18.20.19|
Show InChI InChI=1S/C28H32N2O5/c1-29(23(32)9-7-19-3-2-14-34-19)20-10-11-28(33)22-15-18-6-8-21(31)25-24(18)27(28,26(20)35-25)12-13-30(22)16-17-4-5-17/h2-3,6-9,14,17,20,22,26,31,33H,4-5,10-13,15-16H2,1H3/b9-7+/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 guinea pig cerebellum kappa opioid receptor


Bioorg Med Chem Lett 20: 121-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.027
BindingDB Entry DOI: 10.7270/Q2GX4CJH
More data for this
Ligand-Target Pair
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
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


(MOUSE)
BDBM50354998
PNG
(CHEMBL1834895)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35O)O[C@@H]2N3[C@H](CO[C@@H]13)O[C@]21CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r|
Show InChI InChI=1S/C44H51N3O9/c48-26-7-5-24-17-28-43(50)11-9-41(35-39(43,31(24)33(26)53-35)13-15-45(28)19-22-1-2-22)37-47-30(21-52-37)55-42(38(47)56-41)10-12-44(51)29-18-25-6-8-27(49)34-32(25)40(44,36(42)54-34)14-16-46(29)20-23-3-4-23/h5-8,22-23,28-30,35-38,48-51H,1-4,9-21H2/t28-,29-,30+,35-,36-,37+,38+,39+,40+,41+,42+,43-,44-/m1/s1
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0.480n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 6198-202 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.065
BindingDB Entry DOI: 10.7270/Q25M664X
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50329099
PNG
(CHEMBL1270474)
Show SMILES CC(C)CN1CC[C@]23Cc4nc5ccccc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc31 |r,THB:3:4:20:24.30.23|
Show InChI InChI=1S/C27H30N2O2/c1-17(2)16-29-10-9-26-15-24-20(11-19-5-3-4-6-23(19)28-24)14-27(26,31)25(29)12-18-7-8-21(30)13-22(18)26/h3-8,11,13,17,25,30-31H,9-10,12,14-16H2,1-2H3/t25-,26-,27-/m1/s1
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0.510n/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 membranes


Bioorg Med Chem Lett 20: 6302-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.083
BindingDB Entry DOI: 10.7270/Q2G73DZ1
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
Delta-type opioid receptor


(MOUSE)
BDBM50329097
PNG
(CHEMBL1270185)
Show SMILES Oc1ccc2C[C@H]3N(CCc4ccccc4)CC[C@@]4(Cc5nc6ccccc6cc5C[C@@]34O)c2c1 |r,THB:8:7:31:4.33.5|
Show InChI InChI=1S/C31H30N2O2/c34-25-11-10-22-17-29-31(35)19-24-16-23-8-4-5-9-27(23)32-28(24)20-30(31,26(22)18-25)13-15-33(29)14-12-21-6-2-1-3-7-21/h1-11,16,18,29,34-35H,12-15,17,19-20H2/t29-,30-,31-/m1/s1
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0.570n/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 membranes


Bioorg Med Chem Lett 20: 6302-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.083
BindingDB Entry DOI: 10.7270/Q2G73DZ1
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
Mu-type opioid receptor


(GUINEA PIG)
BDBM50274257
PNG
((2E)-N-[(1S,5R,13R,14R,17S)-4-(cyclopropylmethyl)-...)
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\c1ccco1 |r,TLB:4:5:9.25.8:18.20.19,THB:6:5:9.25.8:18.20.19|
Show InChI InChI=1S/C28H32N2O5/c1-29(23(32)9-7-19-3-2-14-34-19)20-10-11-28(33)22-15-18-6-8-21(31)25-24(18)27(28,26(20)35-25)12-13-30(22)16-17-4-5-17/h2-3,6-9,14,17,20,22,26,31,33H,4-5,10-13,15-16H2,1H3/b9-7+/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 guinea pig forebrain mu opioid receptor


Bioorg Med Chem Lett 20: 121-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.027
BindingDB Entry DOI: 10.7270/Q2GX4CJH
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50354995
PNG
(CHEMBL1834900)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CC[C@]5(O[C@H]6CO[C@@H]7N6[C@H]5O[C@]75CC[C@H]6[C@H]7Cc8ccc(O)c9O[C@@H]5[C@]6(CCN7CC5CC5)c89)[C@@H]5Oc1c2[C@]45CCN3CC1CC1 |r|
Show InChI InChI=1S/C44H51N3O7/c48-30-7-5-24-17-28-26-9-11-43(37-41(26,33(24)35(30)51-37)13-15-45(28)19-22-1-2-22)39-47-32(21-50-39)53-44(40(47)54-43)12-10-27-29-18-25-6-8-31(49)36-34(25)42(27,38(44)52-36)14-16-46(29)20-23-3-4-23/h5-8,22-23,26-29,32,37-40,48-49H,1-4,9-21H2/t26-,27-,28+,29+,32-,37+,38+,39-,40-,41-,42-,43-,44-/m0/s1
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0.719n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 6198-202 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.065
BindingDB Entry DOI: 10.7270/Q25M664X
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50354994
PNG
(CHEMBL1834899)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(C[C@]5(CC[C@@]34O)O[C@H]3CO[C@@H]4N3[C@H]5O[C@]43CC[C@@]4(O)[C@H]5Cc6ccc(O)cc6[C@@]4(CCN5CC4CC4)C3)c2c1 |r,TLB:8:7:19:52.4.5|
Show InChI InChI=1S/C44H55N3O7/c48-30-7-5-28-17-34-43(50)11-9-41(24-39(43,32(28)19-30)13-15-45(34)21-26-1-2-26)37-47-36(23-52-37)53-42(38(47)54-41)10-12-44(51)35-18-29-6-8-31(49)20-33(29)40(44,25-42)14-16-46(35)22-27-3-4-27/h5-8,19-20,26-27,34-38,48-51H,1-4,9-18,21-25H2/t34-,35-,36+,37+,38+,39-,40-,41+,42+,43-,44-/m1/s1
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0.771n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 6198-202 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.065
BindingDB Entry DOI: 10.7270/Q25M664X
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50329101
PNG
(CHEMBL1270573)
Show SMILES Oc1ccc2C[C@H]3N(CC4CCCC4)CC[C@@]4(Cc5nc6ccccc6cc5C[C@@]34O)c2c1 |r,THB:8:7:29:4.31.5|
Show InChI InChI=1S/C29H32N2O2/c32-23-10-9-20-14-27-29(33)16-22-13-21-7-3-4-8-25(21)30-26(22)17-28(29,24(20)15-23)11-12-31(27)18-19-5-1-2-6-19/h3-4,7-10,13,15,19,27,32-33H,1-2,5-6,11-12,14,16-18H2/t27-,28-,29-/m1/s1
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0.780n/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 membranes


Bioorg Med Chem Lett 20: 6302-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.083
BindingDB Entry DOI: 10.7270/Q2G73DZ1
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
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50232544
PNG
(CHEMBL4099851)
Show SMILES C[C@H](NC(=O)c1cc(Cl)cnc1Oc1cccc(F)c1)c1ccc(cc1)C(O)=O |r|
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0.970n/an/an/an/an/an/an/an/a



AskAt Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1186-1192 (2017)


BindingDB Entry DOI: 10.7270/Q2Q242F0
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50354997
PNG
(CHEMBL1834902)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35O)O[C@@H](N=C1)[C@]1(O)CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r,c:32|
Show InChI InChI=1S/C42H49N3O8/c46-26-7-5-24-17-28-41(49)11-9-37(34-38(41,30(24)32(26)51-34)13-15-44(28)19-22-1-2-22)21-43-36(53-37)40(48)10-12-42(50)29-18-25-6-8-27(47)33-31(25)39(42,35(40)52-33)14-16-45(29)20-23-3-4-23/h5-8,21-23,28-29,34-36,46-50H,1-4,9-20H2/t28-,29-,34+,35-,36-,37-,38+,39+,40+,41-,42-/m1/s1
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1n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 6198-202 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.065
BindingDB Entry DOI: 10.7270/Q25M664X
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
Mu-type opioid receptor


(GUINEA PIG)
BDBM50320090
PNG
((2R,2aS,2a1S,5aR)-2-((cyclopropylmethyl)(methyl)am...)
Show SMILES CN(CC1CC1)[C@@H]1Cc2ccc(O)c3O[C@@H]4[C@H](c23)[C@@]1(O)CCC4=O |r|
Show InChI InChI=1S/C19H23NO4/c1-20(9-10-2-3-10)14-8-11-4-5-12(21)17-15(11)16-18(24-17)13(22)6-7-19(14,16)23/h4-5,10,14,16,18,21,23H,2-3,6-9H2,1H3/t14-,16+,18+,19-/m1/s1
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1.17n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in Hartley guinea pig forebrain by liquid scintillation counting


Bioorg Med Chem Lett 20: 3726-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.080
BindingDB Entry DOI: 10.7270/Q2KD1Z3B
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50355000
PNG
(CHEMBL1834903)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35O)O[C@H](N=C1)[C@]1(O)CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r,c:32|
Show InChI InChI=1S/C42H49N3O8/c46-26-7-5-24-17-28-41(49)11-9-37(34-38(41,30(24)32(26)51-34)13-15-44(28)19-22-1-2-22)21-43-36(53-37)40(48)10-12-42(50)29-18-25-6-8-27(47)33-31(25)39(42,35(40)52-33)14-16-45(29)20-23-3-4-23/h5-8,21-23,28-29,34-36,46-50H,1-4,9-20H2/t28-,29-,34+,35-,36+,37-,38+,39+,40+,41-,42-/m1/s1
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1.20n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from guinea pig kappa opioid receptor in cerebellum


Bioorg Med Chem Lett 21: 6198-202 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.065
BindingDB Entry DOI: 10.7270/Q25M664X
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
Delta-type opioid receptor


(MOUSE)
BDBM50290872
PNG
((-)-rel-3-((4aR,12aS)-2-methyl-1,2,3,4,4a,5,12,12a...)
Show SMILES CN1CC[C@@]2(Cc3nc4ccccc4cc3C[C@H]2C1)c1cccc(O)c1 |r|
Show InChI InChI=1S/C23H24N2O/c1-25-10-9-23(18-6-4-7-20(26)13-18)14-22-17(12-19(23)15-25)11-16-5-2-3-8-21(16)24-22/h2-8,11,13,19,26H,9-10,12,14-15H2,1H3/t19-,23+/m0/s1
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1.44n/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 membranes


Bioorg Med Chem Lett 20: 6302-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.083
BindingDB Entry DOI: 10.7270/Q2G73DZ1
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50354997
PNG
(CHEMBL1834902)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35O)O[C@@H](N=C1)[C@]1(O)CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r,c:32|
Show InChI InChI=1S/C42H49N3O8/c46-26-7-5-24-17-28-41(49)11-9-37(34-38(41,30(24)32(26)51-34)13-15-44(28)19-22-1-2-22)21-43-36(53-37)40(48)10-12-42(50)29-18-25-6-8-27(47)33-31(25)39(42,35(40)52-33)14-16-45(29)20-23-3-4-23/h5-8,21-23,28-29,34-36,46-50H,1-4,9-20H2/t28-,29-,34+,35-,36-,37-,38+,39+,40+,41-,42-/m1/s1
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1.70n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from guinea pig kappa opioid receptor in cerebellum


Bioorg Med Chem Lett 21: 6198-202 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.065
BindingDB Entry DOI: 10.7270/Q25M664X
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


(MOUSE)
BDBM50355000
PNG
(CHEMBL1834903)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35O)O[C@H](N=C1)[C@]1(O)CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r,c:32|
Show InChI InChI=1S/C42H49N3O8/c46-26-7-5-24-17-28-41(49)11-9-37(34-38(41,30(24)32(26)51-34)13-15-44(28)19-22-1-2-22)21-43-36(53-37)40(48)10-12-42(50)29-18-25-6-8-27(47)33-31(25)39(42,35(40)52-33)14-16-45(29)20-23-3-4-23/h5-8,21-23,28-29,34-36,46-50H,1-4,9-20H2/t28-,29-,34+,35-,36+,37-,38+,39+,40+,41-,42-/m1/s1
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1.90n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 6198-202 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.065
BindingDB Entry DOI: 10.7270/Q25M664X
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50329100
PNG
(CHEMBL1270475)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(Cc5nc6ccccc6cc5C[C@@]34O)c2c1 |r,THB:8:7:27:4.29.5|
Show InChI InChI=1S/C27H28N2O2/c30-21-8-7-18-12-25-27(31)14-20-11-19-3-1-2-4-23(19)28-24(20)15-26(27,22(18)13-21)9-10-29(25)16-17-5-6-17/h1-4,7-8,11,13,17,25,30-31H,5-6,9-10,12,14-16H2/t25-,26-,27-/m1/s1
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1.95n/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 membranes


Bioorg Med Chem Lett 20: 6302-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.083
BindingDB Entry DOI: 10.7270/Q2G73DZ1
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50354999
PNG
(CHEMBL1834896)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CC[C@]41O[C@@H]2N3[C@H](CO[C@@H]13)O[C@]21CC[C@@]2(O)[C@H]3Cc4ccc(O)c6O[C@@H]1[C@]2(CCN3C)c46)ccc5O |r|
Show InChI InChI=1S/C38H43N3O9/c1-39-13-11-33-25-18-3-5-20(42)27(25)47-29(33)35(7-9-37(33,44)22(39)15-18)31-41-24(17-46-31)49-36(32(41)50-35)8-10-38(45)23-16-19-4-6-21(43)28-26(19)34(38,30(36)48-28)12-14-40(23)2/h3-6,22-24,29-32,42-45H,7-17H2,1-2H3/t22-,23-,24+,29-,30-,31+,32+,33+,34+,35+,36+,37-,38-/m1/s1
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2.09n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 6198-202 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.065
BindingDB Entry DOI: 10.7270/Q25M664X
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50354993
PNG
(CHEMBL1834898)
Show SMILES Oc1ccc2C[C@H]3N(CC4CCC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35O)O[C@H]2CO[C@@H]3N2[C@H]1O[C@]31CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CCC1)c45 |r|
Show InChI InChI=1S/C46H55N3O9/c50-28-9-7-26-19-30-45(52)13-11-43(37-41(45,33(26)35(28)55-37)15-17-47(30)21-24-3-1-4-24)39-49-32(23-54-39)57-44(40(49)58-43)12-14-46(53)31-20-27-8-10-29(51)36-34(27)42(46,38(44)56-36)16-18-48(31)22-25-5-2-6-25/h7-10,24-25,30-32,37-40,50-53H,1-6,11-23H2/t30-,31-,32+,37-,38-,39+,40+,41+,42+,43+,44+,45-,46-/m1/s1
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2.60n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 6198-202 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.065
BindingDB Entry DOI: 10.7270/Q25M664X
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50354998
PNG
(CHEMBL1834895)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35O)O[C@@H]2N3[C@H](CO[C@@H]13)O[C@]21CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r|
Show InChI InChI=1S/C44H51N3O9/c48-26-7-5-24-17-28-43(50)11-9-41(35-39(43,31(24)33(26)53-35)13-15-45(28)19-22-1-2-22)37-47-30(21-52-37)55-42(38(47)56-41)10-12-44(51)29-18-25-6-8-27(49)34-32(25)40(44,36(42)54-34)14-16-46(29)20-23-3-4-23/h5-8,22-23,28-30,35-38,48-51H,1-4,9-21H2/t28-,29-,30+,35-,36-,37+,38+,39+,40+,41+,42+,43-,44-/m1/s1
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2.80n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from guinea pig kappa opioid receptor in cerebellum


Bioorg Med Chem Lett 21: 6198-202 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.065
BindingDB Entry DOI: 10.7270/Q25M664X
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50320086
PNG
((2R,2aR,2a1S,5aR)-2-((cyclopropylmethyl)(methyl)am...)
Show SMILES CN(CC1CC1)[C@@H]1Cc2ccc(O)c3O[C@@H]4[C@@H]([C@H]1CCC4=O)c23 |r|
Show InChI InChI=1S/C19H23NO3/c1-20(9-10-2-3-10)13-8-11-4-6-14(21)18-16(11)17-12(13)5-7-15(22)19(17)23-18/h4,6,10,12-13,17,19,21H,2-3,5,7-9H2,1H3/t12-,13+,17-,19-/m0/s1
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3.36n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in Hartley guinea pig forebrain by liquid scintillation counting


Bioorg Med Chem Lett 20: 3726-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.080
BindingDB Entry DOI: 10.7270/Q2KD1Z3B
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50329100
PNG
(CHEMBL1270475)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(Cc5nc6ccccc6cc5C[C@@]34O)c2c1 |r,THB:8:7:27:4.29.5|
Show InChI InChI=1S/C27H28N2O2/c30-21-8-7-18-12-25-27(31)14-20-11-19-3-1-2-4-23(19)28-24(20)15-26(27,22(18)13-21)9-10-29(25)16-17-5-6-17/h1-4,7-8,11,13,17,25,30-31H,5-6,9-10,12,14-16H2/t25-,26-,27-/m1/s1
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3.55n/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 membranes


Bioorg Med Chem Lett 20: 6302-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.083
BindingDB Entry DOI: 10.7270/Q2G73DZ1
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
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50320090
PNG
((2R,2aS,2a1S,5aR)-2-((cyclopropylmethyl)(methyl)am...)
Show SMILES CN(CC1CC1)[C@@H]1Cc2ccc(O)c3O[C@@H]4[C@H](c23)[C@@]1(O)CCC4=O |r|
Show InChI InChI=1S/C19H23NO4/c1-20(9-10-2-3-10)14-8-11-4-5-12(21)17-15(11)16-18(24-17)13(22)6-7-19(14,16)23/h4-5,10,14,16,18,21,23H,2-3,6-9H2,1H3/t14-,16+,18+,19-/m1/s1
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5.10n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69493 from kappa opioid receptor in Hartley guinea pig cerebellum by liquid scintillation counter


Bioorg Med Chem Lett 20: 3726-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.080
BindingDB Entry DOI: 10.7270/Q2KD1Z3B
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50329098
PNG
(CHEMBL1270383)
Show SMILES Oc1ccc2C[C@H]3N(CC4CCC4)CC[C@@]4(Cc5nc6ccccc6cc5C[C@@]34O)c2c1 |r,THB:8:7:28:4.30.5|
Show InChI InChI=1S/C28H30N2O2/c31-22-9-8-19-13-26-28(32)15-21-12-20-6-1-2-7-24(20)29-25(21)16-27(28,23(19)14-22)10-11-30(26)17-18-4-3-5-18/h1-2,6-9,12,14,18,26,31-32H,3-5,10-11,13,15-17H2/t26-,27-,28-/m1/s1
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5.72n/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 membranes


Bioorg Med Chem Lett 20: 6302-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.083
BindingDB Entry DOI: 10.7270/Q2G73DZ1
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
Delta-type opioid receptor


(MOUSE)
BDBM50354994
PNG
(CHEMBL1834899)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(C[C@]5(CC[C@@]34O)O[C@H]3CO[C@@H]4N3[C@H]5O[C@]43CC[C@@]4(O)[C@H]5Cc6ccc(O)cc6[C@@]4(CCN5CC4CC4)C3)c2c1 |r,TLB:8:7:19:52.4.5|
Show InChI InChI=1S/C44H55N3O7/c48-30-7-5-28-17-34-43(50)11-9-41(24-39(43,32(28)19-30)13-15-45(34)21-26-1-2-26)37-47-36(23-52-37)53-42(38(47)54-41)10-12-44(51)35-18-29-6-8-31(49)20-33(29)40(44,25-42)14-16-46(35)22-27-3-4-27/h5-8,19-20,26-27,34-38,48-51H,1-4,9-18,21-25H2/t34-,35-,36+,37+,38+,39-,40-,41+,42+,43-,44-/m1/s1
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5.98n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 6198-202 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.065
BindingDB Entry DOI: 10.7270/Q25M664X
More data for this
Ligand-Target Pair
Prostanoid EP4 receptor


(Rattus norvegicus)
BDBM50232544
PNG
(CHEMBL4099851)
Show SMILES C[C@H](NC(=O)c1cc(Cl)cnc1Oc1cccc(F)c1)c1ccc(cc1)C(O)=O |r|
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6.10n/an/an/an/an/an/an/an/a



AskAt Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1186-1192 (2017)


BindingDB Entry DOI: 10.7270/Q2Q242F0
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
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50354995
PNG
(CHEMBL1834900)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CC[C@]5(O[C@H]6CO[C@@H]7N6[C@H]5O[C@]75CC[C@H]6[C@H]7Cc8ccc(O)c9O[C@@H]5[C@]6(CCN7CC5CC5)c89)[C@@H]5Oc1c2[C@]45CCN3CC1CC1 |r|
Show InChI InChI=1S/C44H51N3O7/c48-30-7-5-24-17-28-26-9-11-43(37-41(26,33(24)35(30)51-37)13-15-45(28)19-22-1-2-22)39-47-32(21-50-39)53-44(40(47)54-43)12-10-27-29-18-25-6-8-31(49)36-34(25)42(27,38(44)52-36)14-16-46(29)20-23-3-4-23/h5-8,22-23,26-29,32,37-40,48-49H,1-4,9-21H2/t26-,27-,28+,29+,32-,37+,38+,39-,40-,41-,42-,43-,44-/m0/s1
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6.36n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from guinea pig kappa opioid receptor in cerebellum


Bioorg Med Chem Lett 21: 6198-202 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.065
BindingDB Entry DOI: 10.7270/Q25M664X
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50329096
PNG
(CHEMBL1270382)
Show SMILES Oc1ccc2C[C@H]3N(Cc4ccccc4)CC[C@@]4(Cc5nc6ccccc6cc5C[C@@]34O)c2c1 |r,THB:8:7:30:4.32.5|
Show InChI InChI=1S/C30H28N2O2/c33-24-11-10-21-15-28-30(34)17-23-14-22-8-4-5-9-26(22)31-27(23)18-29(30,25(21)16-24)12-13-32(28)19-20-6-2-1-3-7-20/h1-11,14,16,28,33-34H,12-13,15,17-19H2/t28-,29-,30-/m1/s1
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6.38n/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 membranes


Bioorg Med Chem Lett 20: 6302-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.083
BindingDB Entry DOI: 10.7270/Q2G73DZ1
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
Delta-type opioid receptor


(MOUSE)
BDBM50354995
PNG
(CHEMBL1834900)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CC[C@]5(O[C@H]6CO[C@@H]7N6[C@H]5O[C@]75CC[C@H]6[C@H]7Cc8ccc(O)c9O[C@@H]5[C@]6(CCN7CC5CC5)c89)[C@@H]5Oc1c2[C@]45CCN3CC1CC1 |r|
Show InChI InChI=1S/C44H51N3O7/c48-30-7-5-24-17-28-26-9-11-43(37-41(26,33(24)35(30)51-37)13-15-45(28)19-22-1-2-22)39-47-32(21-50-39)53-44(40(47)54-43)12-10-27-29-18-25-6-8-31(49)36-34(25)42(27,38(44)52-36)14-16-46(29)20-23-3-4-23/h5-8,22-23,26-29,32,37-40,48-49H,1-4,9-21H2/t26-,27-,28+,29+,32-,37+,38+,39-,40-,41-,42-,43-,44-/m0/s1
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7.80n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 6198-202 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.065
BindingDB Entry DOI: 10.7270/Q25M664X
More data for this
Ligand-Target Pair
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