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Compile Data Set for Download or QSAR

Found 1556 hits with Last Name = 'fujii' and Initial = 'h'   
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))
BDBM50347177
PNG
(CHEMBL1797687)
Show SMILES CCC12CCN(CC3(O)CC3)[C@H](Cc3ccc(O)cc13)C2(C)C |r,THB:6:5:20:19.13.12|
Show InChI InChI=1S/C20H29NO2/c1-4-20-9-10-21(13-19(23)7-8-19)17(18(20,2)3)11-14-5-6-15(22)12-16(14)20/h5-6,12,17,22-23H,4,7-11,13H2,1-3H3/t17-,20?/m1/s1
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0.0300n/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 homogenate by scintillation counting


Bioorg Med Chem Lett 21: 4104-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.147
BindingDB Entry DOI: 10.7270/Q25M66P3
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50102826
PNG
(CHEMBL3339374)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)[C@@]1(O)CC[C@@]35N[C@@H]1CC(=O)NCc1ccccc1 |r,TLB:26:25:14.15:22.21,THB:3:4:23:7.12.13,17:18:23:7.12.13,22:23:4.18.5:7.12.13,24:23:4.18.5:7.12.13,8:7:4.18.5:23|
Show InChI InChI=1S/C30H35N3O4/c34-21-9-8-20-14-23-30-11-10-29(36,22(32-30)15-24(35)31-16-18-4-2-1-3-5-18)27-28(30,25(20)26(21)37-27)12-13-33(23)17-19-6-7-19/h1-5,8-9,19,22-23,27,32,34,36H,6-7,10-17H2,(H,31,35)/t22-,23?,27?,28?,29-,30-/m1/s1
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0.0370n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from kappa opioid receptor in guinea pig cerebellum


Bioorg Med Chem Lett 24: 4980-3 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.029
BindingDB Entry DOI: 10.7270/Q2154JTJ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50491882
PNG
(CHEMBL3215908)
Show SMILES Cl.Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@]14[C@@]51CC[C@@]2(O)[C@H](CC(=O)NCc2ccccc2)N1)ccc3O |r,THB:25:24:3.18:20.21,12:11:19:6.8.7|
Show InChI InChI=1S/C30H35N3O4.2ClH/c34-21-9-8-20-14-23-30-11-10-29(36,22(32-30)15-24(35)31-16-18-4-2-1-3-5-18)27-28(30,25(20)26(21)37-27)12-13-33(23)17-19-6-7-19;;/h1-5,8-9,19,22-23,27,32,34,36H,6-7,10-17H2,(H,31,35);2*1H/t22-,23+,27+,28+,29+,30+;;/m0../s1
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0.0370n/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 21: 3032-50 (2013)


Article DOI: 10.1016/j.bmc.2013.03.026
BindingDB Entry DOI: 10.7270/Q2JQ13XJ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50347179
PNG
(CHEMBL1797689)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC(=O)CC[C@@]34O)c2c1 |r|
Show InChI InChI=1S/C20H25NO3/c22-15-4-3-14-9-18-20(24)6-5-16(23)11-19(20,17(14)10-15)7-8-21(18)12-13-1-2-13/h3-4,10,13,18,22,24H,1-2,5-9,11-12H2/t18-,19-,20-/m1/s1
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0.0380n/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 homogenate by scintillation counting


Bioorg Med Chem Lett 21: 4104-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.147
BindingDB Entry DOI: 10.7270/Q25M66P3
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50013388
PNG
(6-Ethyl-3-(1-hydroxy-cyclopropylmethyl)-11,11-dime...)
Show SMILES CCC12CCN(CC3(O)CC3)C(Cc3ccc(O)cc13)C2(C)C |TLB:6:5:20:19.13.12|
Show InChI InChI=1S/C20H29NO2/c1-4-20-9-10-21(13-19(23)7-8-19)17(18(20,2)3)11-14-5-6-15(22)12-16(14)20/h5-6,12,17,22-23H,4,7-11,13H2,1-3H3
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0.0400n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Binding affinity to kappa opioid receptor


Bioorg Med Chem 18: 4446-52 (2010)


Article DOI: 10.1016/j.bmc.2010.04.069
BindingDB Entry DOI: 10.7270/Q23X87MV
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50102833
PNG
(CHEMBL3339378)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)[C@@]1(O)CC[C@@]35N=C1C(=O)NCc1ccccc1 |r,c:30,TLB:26:25:14.15:22.21,THB:3:4:23:7.12.13,8:7:4.18.5:23,17:18:23:7.12.13,24:23:4.18.5:7.12.13,22:23:4.18.5:7.12.13|
Show InChI InChI=1S/C29H31N3O4/c33-20-9-8-19-14-21-29-11-10-28(35,24(31-29)25(34)30-15-17-4-2-1-3-5-17)26-27(29,22(19)23(20)36-26)12-13-32(21)16-18-6-7-18/h1-5,8-9,18,21,26,33,35H,6-7,10-16H2,(H,30,34)/t21?,26?,27?,28-,29-/m1/s1
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0.0430n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from kappa opioid receptor in guinea pig cerebellum


Bioorg Med Chem Lett 24: 4980-3 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.029
BindingDB Entry DOI: 10.7270/Q2154JTJ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50380909
PNG
(CHEMBL2016678)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@]1(O)CC[C@@]35N(CC2CC2)C1 |r,THB:25:24:22.21:14.15|
Show InChI InChI=1S/C25H32N2O3/c28-18-6-5-17-11-19-25-8-7-23(29,14-27(25)13-16-3-4-16)22-24(25,20(17)21(18)30-22)9-10-26(19)12-15-1-2-15/h5-6,15-16,19,22,28-29H,1-4,7-14H2/t19-,22+,23-,24+,25-/m1/s1
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0.0490n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mouse brain mu opioid receptor


Bioorg Med Chem Lett 22: 2689-92 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.001
BindingDB Entry DOI: 10.7270/Q24X58T4
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50491882
PNG
(CHEMBL3215908)
Show SMILES Cl.Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@]14[C@@]51CC[C@@]2(O)[C@H](CC(=O)NCc2ccccc2)N1)ccc3O |r,THB:25:24:3.18:20.21,12:11:19:6.8.7|
Show InChI InChI=1S/C30H35N3O4.2ClH/c34-21-9-8-20-14-23-30-11-10-29(36,22(32-30)15-24(35)31-16-18-4-2-1-3-5-18)27-28(30,25(20)26(21)37-27)12-13-33(23)17-19-6-7-19;;/h1-5,8-9,19,22-23,27,32,34,36H,6-7,10-17H2,(H,31,35);2*1H/t22-,23+,27+,28+,29+,30+;;/m0../s1
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0.0520n/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 devoid of cerebellum


Bioorg Med Chem 21: 3032-50 (2013)


Article DOI: 10.1016/j.bmc.2013.03.026
BindingDB Entry DOI: 10.7270/Q2JQ13XJ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50102826
PNG
(CHEMBL3339374)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)[C@@]1(O)CC[C@@]35N[C@@H]1CC(=O)NCc1ccccc1 |r,TLB:26:25:14.15:22.21,THB:3:4:23:7.12.13,17:18:23:7.12.13,22:23:4.18.5:7.12.13,24:23:4.18.5:7.12.13,8:7:4.18.5:23|
Show InChI InChI=1S/C30H35N3O4/c34-21-9-8-20-14-23-30-11-10-29(36,22(32-30)15-24(35)31-16-18-4-2-1-3-5-18)27-28(30,25(20)26(21)37-27)12-13-33(23)17-19-6-7-19/h1-5,8-9,19,22-23,27,32,34,36H,6-7,10-17H2,(H,31,35)/t22-,23?,27?,28?,29-,30-/m1/s1
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0.0520n/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 brain membranes without cerebellum


Bioorg Med Chem Lett 24: 4980-3 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.029
BindingDB Entry DOI: 10.7270/Q2154JTJ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50336669
PNG
(CHEMBL1672477 | N-[(6beta,14beta-Epoxy-3-hydroxy-1...)
Show SMILES CN1CC[C@]23C[C@]4(CNC(=O)c5ccccc5)CC[C@@]2(O4)[C@H]1Cc1ccc(O)cc31 |r,THB:0:1:19:29.23.22|
Show InChI InChI=1S/C25H28N2O3/c1-27-12-11-24-15-23(16-26-22(29)17-5-3-2-4-6-17)9-10-25(24,30-23)21(27)13-18-7-8-19(28)14-20(18)24/h2-8,14,21,28H,9-13,15-16H2,1H3,(H,26,29)/t21-,23+,24-,25-/m1/s1
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0.0522n/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 19: 1205-21 (2011)


Article DOI: 10.1016/j.bmc.2010.12.035
BindingDB Entry DOI: 10.7270/Q23N23P2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50491892
PNG
(CHEMBL3216338)
Show SMILES Cl.Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(O)[C@@H](N1)C(=O)Nc1ccccc1)ccc3O |r,THB:26:24:3.18:20.21,12:11:19:6.8.7|
Show InChI InChI=1S/C28H31N3O4.2ClH/c32-19-9-8-17-14-20-28-11-10-27(34,23(30-28)24(33)29-18-4-2-1-3-5-18)25-26(28,21(17)22(19)35-25)12-13-31(20)15-16-6-7-16;;/h1-5,8-9,16,20,23,25,30,32,34H,6-7,10-15H2,(H,29,33);2*1H/t20-,23+,25-,26+,27-,28-;;/m1../s1
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0.0750n/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 devoid of cerebellum


Bioorg Med Chem 21: 3032-50 (2013)


Article DOI: 10.1016/j.bmc.2013.03.026
BindingDB Entry DOI: 10.7270/Q2JQ13XJ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50336672
PNG
(CHEMBL1672473 | N-[(17-Cyclopropylmethyl-6beta,14b...)
Show SMILES Oc1cccc(c1)C(=O)NC[C@@]12CC[C@@]3(O1)[C@H]1Cc4ccc(O)cc4[C@]3(C2)CCN1CC1CC1 |r,THB:30:29:14:24.18.17|
Show InChI InChI=1S/C28H32N2O4/c31-21-3-1-2-20(12-21)25(33)29-17-26-8-9-28(34-26)24-13-19-6-7-22(32)14-23(19)27(28,16-26)10-11-30(24)15-18-4-5-18/h1-3,6-7,12,14,18,24,31-32H,4-5,8-11,13,15-17H2,(H,29,33)/t24-,26+,27-,28-/m1/s1
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0.0754n/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 19: 1205-21 (2011)


Article DOI: 10.1016/j.bmc.2010.12.035
BindingDB Entry DOI: 10.7270/Q23N23P2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50491883
PNG
(CHEMBL3216579)
Show SMILES Cl.Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@]14[C@@]51CC[C@@]2(O)[C@H](CC(=O)Nc2ccccc2)N1)ccc3O |r,THB:25:24:3.18:20.21,12:11:19:6.8.7|
Show InChI InChI=1S/C29H33N3O4.2ClH/c33-20-9-8-18-14-22-29-11-10-28(35,21(31-29)15-23(34)30-19-4-2-1-3-5-19)26-27(29,24(18)25(20)36-26)12-13-32(22)16-17-6-7-17;;/h1-5,8-9,17,21-22,26,31,33,35H,6-7,10-16H2,(H,30,34);2*1H/t21-,22+,26+,27+,28+,29+;;/m0../s1
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0.0810n/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 devoid of cerebellum


Bioorg Med Chem 21: 3032-50 (2013)


Article DOI: 10.1016/j.bmc.2013.03.026
BindingDB Entry DOI: 10.7270/Q2JQ13XJ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50336674
PNG
(CHEMBL1672481 | N-[(17-Cyclopropylmethyl-6beta,14b...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(C[C@]5(CNC(=O)c6cccc(F)c6)CC[C@@]34O5)c2c1 |r,THB:8:7:30:32.4.5|
Show InChI InChI=1S/C28H31FN2O3/c29-21-3-1-2-20(12-21)25(33)30-17-26-8-9-28(34-26)24-13-19-6-7-22(32)14-23(19)27(28,16-26)10-11-31(24)15-18-4-5-18/h1-3,6-7,12,14,18,24,32H,4-5,8-11,13,15-17H2,(H,30,33)/t24-,26+,27-,28-/m1/s1
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0.0812n/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 19: 1205-21 (2011)


Article DOI: 10.1016/j.bmc.2010.12.035
BindingDB Entry DOI: 10.7270/Q23N23P2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50336664
PNG
((2E)-N-[(17-Cyclopropylmethyl-6beta,14beta-epoxy-3...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(C[C@]5(CNC(=O)\C=C\c6ccoc6)CC[C@@]34O5)c2c1 |r,THB:8:7:30:32.4.5|
Show InChI InChI=1S/C28H32N2O4/c31-22-5-4-21-13-24-28-9-8-26(34-28,18-29-25(32)6-3-20-7-12-33-16-20)17-27(28,23(21)14-22)10-11-30(24)15-19-1-2-19/h3-7,12,14,16,19,24,31H,1-2,8-11,13,15,17-18H2,(H,29,32)/b6-3+/t24-,26+,27-,28-/m1/s1
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0.0828n/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 19: 1205-21 (2011)


Article DOI: 10.1016/j.bmc.2010.12.035
BindingDB Entry DOI: 10.7270/Q23N23P2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50336677
PNG
(CHEMBL1672484 | N-[(17-Cyclopropylmethyl-6beta,14b...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(C[C@]5(CNC(=O)CCc6ccccc6)CC[C@@]34O5)c2c1 |r,THB:8:7:31:33.4.5|
Show InChI InChI=1S/C30H36N2O3/c33-24-10-9-23-16-26-30-13-12-28(35-30,20-31-27(34)11-8-21-4-2-1-3-5-21)19-29(30,25(23)17-24)14-15-32(26)18-22-6-7-22/h1-5,9-10,17,22,26,33H,6-8,11-16,18-20H2,(H,31,34)/t26-,28+,29-,30-/m1/s1
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0.0833n/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 19: 1205-21 (2011)


Article DOI: 10.1016/j.bmc.2010.12.035
BindingDB Entry DOI: 10.7270/Q23N23P2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50336673
PNG
(CHEMBL1672480 | N-[(17-Cyclopropylmethyl-6beta,14b...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(C[C@]5(CNC(=O)c6ccccc6O)CC[C@@]34O5)c2c1 |r,THB:8:7:30:32.4.5|
Show InChI InChI=1S/C28H32N2O4/c31-20-8-7-19-13-24-28-10-9-26(34-28,17-29-25(33)21-3-1-2-4-23(21)32)16-27(28,22(19)14-20)11-12-30(24)15-18-5-6-18/h1-4,7-8,14,18,24,31-32H,5-6,9-13,15-17H2,(H,29,33)/t24-,26+,27-,28-/m1/s1
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0.0880n/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 19: 1205-21 (2011)


Article DOI: 10.1016/j.bmc.2010.12.035
BindingDB Entry DOI: 10.7270/Q23N23P2
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50391602
PNG
(CHEMBL2147915)
Show SMILES CN1CC[C@]23Cc4nc5c(O)cccc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc31 |r,THB:0:1:18:28.22.21|
Show InChI InChI=1S/C24H24N2O3/c1-26-8-7-23-13-19-16(9-15-3-2-4-20(28)22(15)25-19)12-24(23,29)21(26)10-14-5-6-17(27)11-18(14)23/h2-6,9,11,21,27-29H,7-8,10,12-13H2,1H3/t21-,23-,24-/m1/s1
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0.0920n/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 20: 5810-31 (2012)


Article DOI: 10.1016/j.bmc.2012.08.004
BindingDB Entry DOI: 10.7270/Q2F190T5
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50161762
PNG
(CHEMBL3785854)
Show SMILES [H]C12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)Cc1[nH]c4ccccc4c1C[C@@]23O |r,TLB:14:13:3.9.2:29|
Show InChI InChI=1S/C26H28N2O2/c29-18-8-7-17-11-24-26(30)13-20-19-3-1-2-4-22(19)27-23(20)14-25(26,21(17)12-18)9-10-28(24)15-16-5-6-16/h1-4,7-8,12,16,24,27,29-30H,5-6,9-11,13-15H2/t24?,25-,26-/m1/s1
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0.0945n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human delta opioid receptor expressed in CHO cell membranes


Bioorg Med Chem 24: 2199-205 (2016)


Article DOI: 10.1016/j.bmc.2016.03.040
BindingDB Entry DOI: 10.7270/Q2WW7KKZ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50380906
PNG
(CHEMBL2016675)
Show SMILES CN1C[C@]2(O)CC[C@]11[C@H]3Cc4ccc(O)c5O[C@@H]2[C@]1(CCN3CC1CC1)c45 |r,TLB:0:1:6.5:18.17|
Show InChI InChI=1S/C22H28N2O3/c1-23-12-20(26)6-7-22(23)16-10-14-4-5-15(25)18-17(14)21(22,19(20)27-18)8-9-24(16)11-13-2-3-13/h4-5,13,16,19,25-26H,2-3,6-12H2,1H3/t16-,19+,20-,21+,22-/m1/s1
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0.0970n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mouse brain mu opioid receptor


Bioorg Med Chem Lett 22: 2689-92 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.001
BindingDB Entry DOI: 10.7270/Q24X58T4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50277471
PNG
((1R,9R,10S,13R)-17-(cyclopropylmethyl)-13-(hydroxy...)
Show SMILES OC[C@]12CC[C@@]3(O1)[C@H]1Cc4ccc(O)cc4[C@]3(C2)CCN1CC1CC1 |r,THB:21:20:5:15.9.8|
Show InChI InChI=1S/C21H27NO3/c23-13-19-5-6-21(25-19)18-9-15-3-4-16(24)10-17(15)20(21,12-19)7-8-22(18)11-14-1-2-14/h3-4,10,14,18,23-24H,1-2,5-9,11-13H2/t18-,19-,20-,21-/m1/s1
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0.102n/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 19: 2416-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.068
BindingDB Entry DOI: 10.7270/Q2C24XBW
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50336670
PNG
(CHEMBL1672478 | N-[(6beta,14beta-Epoxy-3-hydroxy-1...)
Show SMILES CC(C)CN1CC[C@]23C[C@]4(CNC(=O)c5ccccc5)CC[C@@]2(O4)[C@H]1Cc1ccc(O)cc31 |r,THB:3:4:22:32.26.25|
Show InChI InChI=1S/C28H34N2O3/c1-19(2)16-30-13-12-27-17-26(18-29-25(32)20-6-4-3-5-7-20)10-11-28(27,33-26)24(30)14-21-8-9-22(31)15-23(21)27/h3-9,15,19,24,31H,10-14,16-18H2,1-2H3,(H,29,32)/t24-,26+,27-,28-/m1/s1
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0.108n/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 19: 1205-21 (2011)


Article DOI: 10.1016/j.bmc.2010.12.035
BindingDB Entry DOI: 10.7270/Q23N23P2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50336667
PNG
(CHEMBL1672470 | N-[(17-Cyclopropylmethyl-6beta,14b...)
Show SMILES Cc1ccccc1C(=O)NC[C@@]12CC[C@@]3(O1)[C@H]1Cc4ccc(O)cc4[C@]3(C2)CCN1CC1CC1 |r,THB:30:29:14:24.18.17|
Show InChI InChI=1S/C29H34N2O3/c1-19-4-2-3-5-23(19)26(33)30-18-27-10-11-29(34-27)25-14-21-8-9-22(32)15-24(21)28(29,17-27)12-13-31(25)16-20-6-7-20/h2-5,8-9,15,20,25,32H,6-7,10-14,16-18H2,1H3,(H,30,33)/t25-,27+,28-,29-/m1/s1
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0.109n/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 19: 1205-21 (2011)


Article DOI: 10.1016/j.bmc.2010.12.035
BindingDB Entry DOI: 10.7270/Q23N23P2
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50253136
PNG
(CHEMBL4075409)
Show SMILES [H][C@]12CN(C3CCC4(O1)C1Cc5ccc(O)cc5C4(CCN1CC=C)C23)C(=O)c1ccccc1 |r,TLB:3:4:18:8.1,2:1:18:5.6.4,6:7:21.20.19:10.17.11,17:18:8.1:5.6.4,16:17:21.20.19:7,THB:19:18:8.1:5.6.4|
Show InChI InChI=1S/C28H30N2O3/c1-2-13-29-14-12-27-21-16-20(31)9-8-19(21)15-24(29)28(27)11-10-22-25(27)23(33-28)17-30(22)26(32)18-6-4-3-5-7-18/h2-9,16,22-25,31H,1,10-15,17H2/t22?,23-,24?,25?,27?,28?/m1/s1
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0.109n/an/an/an/an/an/an/an/a



Laboratory of Medicinal Chemistry, School of Pharmacy, Kitasato University, 5-9-1, Shirokane, Minato-ku, Tokyo 108-8641, Japan; Discovery Research Laboratories, Nippon Chemiphar Co., Ltd., 1-22, Hiko

Curated by ChEMBL


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


Bioorg Med Chem Lett 27: 2742-2745 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.059
BindingDB Entry DOI: 10.7270/Q2H134GP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50491883
PNG
(CHEMBL3216579)
Show SMILES Cl.Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@]14[C@@]51CC[C@@]2(O)[C@H](CC(=O)Nc2ccccc2)N1)ccc3O |r,THB:25:24:3.18:20.21,12:11:19:6.8.7|
Show InChI InChI=1S/C29H33N3O4.2ClH/c33-20-9-8-18-14-22-29-11-10-28(35,21(31-29)15-23(34)30-19-4-2-1-3-5-19)26-27(29,24(18)25(20)36-26)12-13-32(22)16-17-6-7-17;;/h1-5,8-9,17,21-22,26,31,33,35H,6-7,10-16H2,(H,30,34);2*1H/t21-,22+,26+,27+,28+,29+;;/m0../s1
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0.110n/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 21: 3032-50 (2013)


Article DOI: 10.1016/j.bmc.2013.03.026
BindingDB Entry DOI: 10.7270/Q2JQ13XJ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50491884
PNG
(CHEMBL3216801)
Show SMILES Cl.Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@]14[C@@]51CC[C@@]2(O)[C@@H](CC(=O)NCc2ccccc2)N1)ccc3O |r,THB:25:24:3.18:20.21,12:11:19:6.8.7|
Show InChI InChI=1S/C30H35N3O4.2ClH/c34-21-9-8-20-14-23-30-11-10-29(36,22(32-30)15-24(35)31-16-18-4-2-1-3-5-18)27-28(30,25(20)26(21)37-27)12-13-33(23)17-19-6-7-19;;/h1-5,8-9,19,22-23,27,32,34,36H,6-7,10-17H2,(H,31,35);2*1H/t22-,23-,27-,28-,29-,30-;;/m1../s1
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0.110n/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 21: 3032-50 (2013)


Article DOI: 10.1016/j.bmc.2013.03.026
BindingDB Entry DOI: 10.7270/Q2JQ13XJ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50491892
PNG
(CHEMBL3216338)
Show SMILES Cl.Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(O)[C@@H](N1)C(=O)Nc1ccccc1)ccc3O |r,THB:26:24:3.18:20.21,12:11:19:6.8.7|
Show InChI InChI=1S/C28H31N3O4.2ClH/c32-19-9-8-17-14-20-28-11-10-27(34,23(30-28)24(33)29-18-4-2-1-3-5-18)25-26(28,21(17)22(19)35-25)12-13-31(20)15-16-6-7-16;;/h1-5,8-9,16,20,23,25,30,32,34H,6-7,10-15H2,(H,29,33);2*1H/t20-,23+,25-,26+,27-,28-;;/m1../s1
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0.110n/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 21: 3032-50 (2013)


Article DOI: 10.1016/j.bmc.2013.03.026
BindingDB Entry DOI: 10.7270/Q2JQ13XJ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50491897
PNG
(CHEMBL2387739)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@]14[C@@]51CC[C@@]2(O)[C@H](CC(=O)Nc2ccccc2)N1C(C)=O)ccc3O |r,THB:34:18:5.7.6:16.10.15,35:34:2.17:19.20,4:5:18:16.10.15,24:23:2.17:19.20|
Show InChI InChI=1S/C31H35N3O5.ClH/c1-18(35)34-23(16-25(37)32-21-5-3-2-4-6-21)30(38)11-12-31(34)24-15-20-9-10-22(36)27-26(20)29(31,28(30)39-27)13-14-33(24)17-19-7-8-19;/h2-6,9-10,19,23-24,28,36,38H,7-8,11-17H2,1H3,(H,32,37);1H/t23-,24+,28+,29+,30+,31+;/m0./s1
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0.110n/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 devoid of cerebellum


Bioorg Med Chem 21: 3032-50 (2013)


Article DOI: 10.1016/j.bmc.2013.03.026
BindingDB Entry DOI: 10.7270/Q2JQ13XJ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50380911
PNG
(CHEMBL2016680)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@]1(O)CC[C@@]35O[C@@H]1C(=O)Nc1ccccc1 |r,THB:26:25:22.21:14.15|
Show InChI InChI=1S/C28H30N2O5/c31-19-9-8-17-14-20-28-11-10-27(33,23(35-28)24(32)29-18-4-2-1-3-5-18)25-26(28,21(17)22(19)34-25)12-13-30(20)15-16-6-7-16/h1-5,8-9,16,20,23,25,31,33H,6-7,10-15H2,(H,29,32)/t20-,23-,25-,26+,27-,28-/m1/s1
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0.110n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Binding affinity to kappa opioid receptor


Bioorg Med Chem Lett 22: 2689-92 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.001
BindingDB Entry DOI: 10.7270/Q24X58T4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50102828
PNG
(CHEMBL3339372)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)[C@@]1(O)CC[C@@]35N[C@H]1CC(=O)NCc1ccccc1 |r,TLB:26:25:14.15:22.21,THB:3:4:23:7.12.13,17:18:23:7.12.13,22:23:4.18.5:7.12.13,24:23:4.18.5:7.12.13,8:7:4.18.5:23|
Show InChI InChI=1S/C30H35N3O4/c34-21-9-8-20-14-23-30-11-10-29(36,22(32-30)15-24(35)31-16-18-4-2-1-3-5-18)27-28(30,25(20)26(21)37-27)12-13-33(23)17-19-6-7-19/h1-5,8-9,19,22-23,27,32,34,36H,6-7,10-17H2,(H,31,35)/t22-,23?,27?,28?,29+,30+/m0/s1
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0.110n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from kappa opioid receptor in guinea pig cerebellum


Bioorg Med Chem Lett 24: 4980-3 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.029
BindingDB Entry DOI: 10.7270/Q2154JTJ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50336674
PNG
(CHEMBL1672481 | N-[(17-Cyclopropylmethyl-6beta,14b...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(C[C@]5(CNC(=O)c6cccc(F)c6)CC[C@@]34O5)c2c1 |r,THB:8:7:30:32.4.5|
Show InChI InChI=1S/C28H31FN2O3/c29-21-3-1-2-20(12-21)25(33)30-17-26-8-9-28(34-26)24-13-19-6-7-22(32)14-23(19)27(28,16-26)10-11-31(24)15-18-4-5-18/h1-3,6-7,12,14,18,24,32H,4-5,8-11,13,15-17H2,(H,30,33)/t24-,26+,27-,28-/m1/s1
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0.110n/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 19: 1205-21 (2011)


Article DOI: 10.1016/j.bmc.2010.12.035
BindingDB Entry DOI: 10.7270/Q23N23P2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50118178
PNG
(CHEMBL3613172)
Show SMILES Cl.[H][C@]12CC[C@]3([H])N(CC4CC4)CC[C@@]4(C[C@H]1N(C)C(=O)CCc1ccccc1)c1cc(O)ccc1C[C@@]34C2 |r|
Show InChI InChI=1S/C32H40N2O2.ClH/c1-33(30(36)14-9-22-5-3-2-4-6-22)28-20-31-15-16-34(21-23-7-8-23)29-13-11-25(28)19-32(29,31)18-24-10-12-26(35)17-27(24)31;/h2-6,10,12,17,23,25,28-29,35H,7-9,11,13-16,18-21H2,1H3;1H/t25-,28-,29+,31-,32-;/m1./s1
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0.113n/an/an/an/an/an/an/an/a



University of Tsukuba

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from KOR in mouse whole brain membranes without cerebellum


Bioorg Med Chem 23: 6271-9 (2015)


Article DOI: 10.1016/j.bmc.2015.08.036
BindingDB Entry DOI: 10.7270/Q2V126M1
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50336679
PNG
(CHEMBL1672486 | N-[(6beta,14beta-Epoxy-3-hydroxy-1...)
Show SMILES CC(C)CN1CC[C@]23C[C@]4(CNC(=O)c5cccc(O)c5)CC[C@@]2(O4)[C@H]1Cc1ccc(O)cc31 |r,THB:3:4:23:33.27.26|
Show InChI InChI=1S/C28H34N2O4/c1-18(2)15-30-11-10-27-16-26(17-29-25(33)20-4-3-5-21(31)12-20)8-9-28(27,34-26)24(30)13-19-6-7-22(32)14-23(19)27/h3-7,12,14,18,24,31-32H,8-11,13,15-17H2,1-2H3,(H,29,33)/t24-,26+,27-,28-/m1/s1
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0.116n/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 19: 1205-21 (2011)


Article DOI: 10.1016/j.bmc.2010.12.035
BindingDB Entry DOI: 10.7270/Q23N23P2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50336671
PNG
(CHEMBL1672479 | N-[(17-Cyclopropylmethyl-6beta,14b...)
Show SMILES Oc1ccc(cc1)C(=O)NC[C@@]12CC[C@@]3(O1)[C@H]1Cc4ccc(O)cc4[C@]3(C2)CCN1CC1CC1 |r,THB:30:29:14:24.18.17|
Show InChI InChI=1S/C28H32N2O4/c31-21-6-3-19(4-7-21)25(33)29-17-26-9-10-28(34-26)24-13-20-5-8-22(32)14-23(20)27(28,16-26)11-12-30(24)15-18-1-2-18/h3-8,14,18,24,31-32H,1-2,9-13,15-17H2,(H,29,33)/t24-,26+,27-,28-/m1/s1
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0.120n/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 19: 1205-21 (2011)


Article DOI: 10.1016/j.bmc.2010.12.035
BindingDB Entry DOI: 10.7270/Q23N23P2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50380911
PNG
(CHEMBL2016680)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@]1(O)CC[C@@]35O[C@@H]1C(=O)Nc1ccccc1 |r,THB:26:25:22.21:14.15|
Show InChI InChI=1S/C28H30N2O5/c31-19-9-8-17-14-20-28-11-10-27(33,23(35-28)24(32)29-18-4-2-1-3-5-18)25-26(28,21(17)22(19)34-25)12-13-30(20)15-16-6-7-16/h1-5,8-9,16,20,23,25,31,33H,6-7,10-15H2,(H,29,32)/t20-,23-,25-,26+,27-,28-/m1/s1
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0.120n/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 21: 3032-50 (2013)


Article DOI: 10.1016/j.bmc.2013.03.026
BindingDB Entry DOI: 10.7270/Q2JQ13XJ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50360146
PNG
(CHEMBL1929368)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4Cc5cc6ccccc6nc5C[C@]4(CCN3CC3CCC3)c2c1 |r,THB:24:23:7:29.4.5|
Show InChI InChI=1S/C28H30N2O/c31-22-9-8-19-14-27-24-13-21-12-20-6-1-2-7-25(20)29-26(21)16-28(24,23(19)15-22)10-11-30(27)17-18-4-3-5-18/h1-2,6-9,12,15,18,24,27,31H,3-5,10-11,13-14,16-17H2/t24-,27+,28+/m0/s1
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0.120n/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 without cerebellum


Bioorg Med Chem 20: 949-61 (2012)


Article DOI: 10.1016/j.bmc.2011.11.047
BindingDB Entry DOI: 10.7270/Q2H995MX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50102832
PNG
(CHEMBL3339379)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)[C@@]1(O)CC[C@@]35N=C1C(=O)NCCc1ccccc1 |r,c:30,TLB:26:25:14.15:22.21,THB:3:4:23:7.12.13,8:7:4.18.5:23,17:18:23:7.12.13,24:23:4.18.5:7.12.13,22:23:4.18.5:7.12.13|
Show InChI InChI=1S/C30H33N3O4/c34-21-9-8-20-16-22-30-12-11-29(36,25(32-30)26(35)31-14-10-18-4-2-1-3-5-18)27-28(30,23(20)24(21)37-27)13-15-33(22)17-19-6-7-19/h1-5,8-9,19,22,27,34,36H,6-7,10-17H2,(H,31,35)/t22?,27?,28?,29-,30-/m1/s1
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0.120n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from kappa opioid receptor in guinea pig cerebellum


Bioorg Med Chem Lett 24: 4980-3 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.029
BindingDB Entry DOI: 10.7270/Q2154JTJ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50336667
PNG
(CHEMBL1672470 | N-[(17-Cyclopropylmethyl-6beta,14b...)
Show SMILES Cc1ccccc1C(=O)NC[C@@]12CC[C@@]3(O1)[C@H]1Cc4ccc(O)cc4[C@]3(C2)CCN1CC1CC1 |r,THB:30:29:14:24.18.17|
Show InChI InChI=1S/C29H34N2O3/c1-19-4-2-3-5-23(19)26(33)30-18-27-10-11-29(34-27)25-14-21-8-9-22(32)15-24(21)28(29,17-27)12-13-31(25)16-20-6-7-20/h2-5,8-9,15,20,25,32H,6-7,10-14,16-18H2,1H3,(H,30,33)/t25-,27+,28-,29-/m1/s1
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0.120n/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 19: 1205-21 (2011)


Article DOI: 10.1016/j.bmc.2010.12.035
BindingDB Entry DOI: 10.7270/Q23N23P2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50336672
PNG
(CHEMBL1672473 | N-[(17-Cyclopropylmethyl-6beta,14b...)
Show SMILES Oc1cccc(c1)C(=O)NC[C@@]12CC[C@@]3(O1)[C@H]1Cc4ccc(O)cc4[C@]3(C2)CCN1CC1CC1 |r,THB:30:29:14:24.18.17|
Show InChI InChI=1S/C28H32N2O4/c31-21-3-1-2-20(12-21)25(33)29-17-26-8-9-28(34-26)24-13-19-6-7-22(32)14-23(19)27(28,16-26)10-11-30(24)15-18-4-5-18/h1-3,6-7,12,14,18,24,31-32H,4-5,8-11,13,15-17H2,(H,29,33)/t24-,26+,27-,28-/m1/s1
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0.121n/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 19: 1205-21 (2011)


Article DOI: 10.1016/j.bmc.2010.12.035
BindingDB Entry DOI: 10.7270/Q23N23P2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50336663
PNG
(2-Phenyl-N-[(17-cyclopropylmethyl-6beta,14beta-epo...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(C[C@]5(CNC(=O)Cc6ccccc6)CC[C@@]34O5)c2c1 |r,THB:8:7:30:32.4.5|
Show InChI InChI=1S/C29H34N2O3/c32-23-9-8-22-15-25-29-11-10-27(34-29,19-30-26(33)14-20-4-2-1-3-5-20)18-28(29,24(22)16-23)12-13-31(25)17-21-6-7-21/h1-5,8-9,16,21,25,32H,6-7,10-15,17-19H2,(H,30,33)/t25-,27+,28-,29-/m1/s1
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0.124n/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 19: 1205-21 (2011)


Article DOI: 10.1016/j.bmc.2010.12.035
BindingDB Entry DOI: 10.7270/Q23N23P2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50599576
PNG
(CHEMBL5200218)
Show SMILES [H][C@@]12CC[C@@]3(O1)[C@@]1([H])Cc4ccc(O)cc4[C@@]3(CCN1CC1CC1)C[C@H]2NC(=O)CCc1ccccc1 |r,TLB:20:19:4:8.9.15|
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0.126n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2021.116552
BindingDB Entry DOI: 10.7270/Q2BZ6B34
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50336666
PNG
(CHEMBL1672468 | N-[(17-Cyclopropylmethyl-6beta,14b...)
Show SMILES Cc1cccc(c1)C(=O)NC[C@@]12CC[C@@]3(O1)[C@H]1Cc4ccc(O)cc4[C@]3(C2)CCN1CC1CC1 |r,THB:30:29:14:24.18.17|
Show InChI InChI=1S/C29H34N2O3/c1-19-3-2-4-22(13-19)26(33)30-18-27-9-10-29(34-27)25-14-21-7-8-23(32)15-24(21)28(29,17-27)11-12-31(25)16-20-5-6-20/h2-4,7-8,13,15,20,25,32H,5-6,9-12,14,16-18H2,1H3,(H,30,33)/t25-,27+,28-,29-/m1/s1
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0.126n/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 19: 1205-21 (2011)


Article DOI: 10.1016/j.bmc.2010.12.035
BindingDB Entry DOI: 10.7270/Q23N23P2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50336665
PNG
(CHEMBL1672469 | N-[(17-Cyclopropylmethyl-6beta,14b...)
Show SMILES Cc1ccc(cc1)C(=O)NC[C@@]12CC[C@@]3(O1)[C@H]1Cc4ccc(O)cc4[C@]3(C2)CCN1CC1CC1 |r,THB:30:29:14:24.18.17|
Show InChI InChI=1S/C29H34N2O3/c1-19-2-6-21(7-3-19)26(33)30-18-27-10-11-29(34-27)25-14-22-8-9-23(32)15-24(22)28(29,17-27)12-13-31(25)16-20-4-5-20/h2-3,6-9,15,20,25,32H,4-5,10-14,16-18H2,1H3,(H,30,33)/t25-,27+,28-,29-/m1/s1
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0.129n/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 19: 1205-21 (2011)


Article DOI: 10.1016/j.bmc.2010.12.035
BindingDB Entry DOI: 10.7270/Q23N23P2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50274482
PNG
((2E)-N-[(5R,6R)-17-(Cyclopropylmethyl)-4,5-epoxy-1...)
Show SMILES CN([C@@H]1CC[C@@]2(O)[C@H]3Cc4cccc5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)\C=C\c1ccoc1 |r,TLB:4:5:9.24.8:17.19.18,THB:6:5:9.24.8:17.19.18|
Show InChI InChI=1S/C28H32N2O4/c1-29(24(31)8-7-19-10-14-33-17-19)21-9-11-28(32)23-15-20-3-2-4-22-25(20)27(28,26(21)34-22)12-13-30(23)16-18-5-6-18/h2-4,7-8,10,14,17-18,21,23,26,32H,5-6,9,11-13,15-16H2,1H3/b8-7+/t21-,23-,26+,27+,28-/m1/s1
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0.130n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2021.116552
BindingDB Entry DOI: 10.7270/Q2BZ6B34
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50491884
PNG
(CHEMBL3216801)
Show SMILES Cl.Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@]14[C@@]51CC[C@@]2(O)[C@@H](CC(=O)NCc2ccccc2)N1)ccc3O |r,THB:25:24:3.18:20.21,12:11:19:6.8.7|
Show InChI InChI=1S/C30H35N3O4.2ClH/c34-21-9-8-20-14-23-30-11-10-29(36,22(32-30)15-24(35)31-16-18-4-2-1-3-5-18)27-28(30,25(20)26(21)37-27)12-13-33(23)17-19-6-7-19;;/h1-5,8-9,19,22-23,27,32,34,36H,6-7,10-17H2,(H,31,35);2*1H/t22-,23-,27-,28-,29-,30-;;/m1../s1
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0.130n/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 devoid of cerebellum


Bioorg Med Chem 21: 3032-50 (2013)


Article DOI: 10.1016/j.bmc.2013.03.026
BindingDB Entry DOI: 10.7270/Q2JQ13XJ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50491885
PNG
(CHEMBL2387740)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@]14[C@@]51CC[C@@]2(O)[C@H](CC(=O)NCc2ccccc2)N1C(C)=O)ccc3O |r,THB:35:18:5.7.6:16.10.15,4:5:18:16.10.15,24:23:2.17:19.20,36:35:2.17:19.20|
Show InChI InChI=1S/C32H37N3O5.ClH/c1-19(36)35-24(16-26(38)33-17-20-5-3-2-4-6-20)31(39)11-12-32(35)25-15-22-9-10-23(37)28-27(22)30(32,29(31)40-28)13-14-34(25)18-21-7-8-21;/h2-6,9-10,21,24-25,29,37,39H,7-8,11-18H2,1H3,(H,33,38);1H/t24-,25+,29+,30+,31+,32+;/m0./s1
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0.130n/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 devoid of cerebellum


Bioorg Med Chem 21: 3032-50 (2013)


Article DOI: 10.1016/j.bmc.2013.03.026
BindingDB Entry DOI: 10.7270/Q2JQ13XJ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50102828
PNG
(CHEMBL3339372)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)[C@@]1(O)CC[C@@]35N[C@H]1CC(=O)NCc1ccccc1 |r,TLB:26:25:14.15:22.21,THB:3:4:23:7.12.13,17:18:23:7.12.13,22:23:4.18.5:7.12.13,24:23:4.18.5:7.12.13,8:7:4.18.5:23|
Show InChI InChI=1S/C30H35N3O4/c34-21-9-8-20-14-23-30-11-10-29(36,22(32-30)15-24(35)31-16-18-4-2-1-3-5-18)27-28(30,25(20)26(21)37-27)12-13-33(23)17-19-6-7-19/h1-5,8-9,19,22-23,27,32,34,36H,6-7,10-17H2,(H,31,35)/t22-,23?,27?,28?,29+,30+/m0/s1
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0.130n/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 brain membranes without cerebellum


Bioorg Med Chem Lett 24: 4980-3 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.029
BindingDB Entry DOI: 10.7270/Q2154JTJ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50336665
PNG
(CHEMBL1672469 | N-[(17-Cyclopropylmethyl-6beta,14b...)
Show SMILES Cc1ccc(cc1)C(=O)NC[C@@]12CC[C@@]3(O1)[C@H]1Cc4ccc(O)cc4[C@]3(C2)CCN1CC1CC1 |r,THB:30:29:14:24.18.17|
Show InChI InChI=1S/C29H34N2O3/c1-19-2-6-21(7-3-19)26(33)30-18-27-10-11-29(34-27)25-14-22-8-9-23(32)15-24(22)28(29,17-27)12-13-31(25)16-20-4-5-20/h2-3,6-9,15,20,25,32H,4-5,10-14,16-18H2,1H3,(H,30,33)/t25-,27+,28-,29-/m1/s1
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0.132n/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 19: 1205-21 (2011)


Article DOI: 10.1016/j.bmc.2010.12.035
BindingDB Entry DOI: 10.7270/Q23N23P2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50336663
PNG
(2-Phenyl-N-[(17-cyclopropylmethyl-6beta,14beta-epo...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(C[C@]5(CNC(=O)Cc6ccccc6)CC[C@@]34O5)c2c1 |r,THB:8:7:30:32.4.5|
Show InChI InChI=1S/C29H34N2O3/c32-23-9-8-22-15-25-29-11-10-27(34-29,19-30-26(33)14-20-4-2-1-3-5-20)18-28(29,24(22)16-23)12-13-31(25)17-21-6-7-21/h1-5,8-9,16,21,25,32H,6-7,10-15,17-19H2,(H,30,33)/t25-,27+,28-,29-/m1/s1
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PubMed
0.132n/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 19: 1205-21 (2011)


Article DOI: 10.1016/j.bmc.2010.12.035
BindingDB Entry DOI: 10.7270/Q23N23P2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50336683
PNG
(CHEMBL1672490 | N-[(17-Cyclobutylmethyl-6beta,14be...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CCC4)CC[C@@]4(C[C@]5(CNC(=O)c6ccccc6)CC[C@@]34O5)c2c1 |r,THB:8:7:30:32.4.5|
Show InChI InChI=1S/C29H34N2O3/c32-23-10-9-22-15-25-29-12-11-27(34-29,19-30-26(33)21-7-2-1-3-8-21)18-28(29,24(22)16-23)13-14-31(25)17-20-5-4-6-20/h1-3,7-10,16,20,25,32H,4-6,11-15,17-19H2,(H,30,33)/t25-,27+,28-,29-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.133n/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 19: 1205-21 (2011)


Article DOI: 10.1016/j.bmc.2010.12.035
BindingDB Entry DOI: 10.7270/Q23N23P2
More data for this
Ligand-Target Pair
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