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Compile Data Set for Download or QSAR

Found 208 hits with Last Name = 'mochizuki' 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))
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
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
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
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
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
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


(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
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)
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
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
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
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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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))
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
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
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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
Mu-type opioid receptor


(GUINEA PIG)
BDBM50336661
PNG
(CHEMBL1672475 | N-{[(1R,9R,10S,13S)-17-(cyclopropy...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(C[C@]5(CNC(=O)c6ccccc6)CC[C@@]34O5)c2c1 |r,THB:8:7:29:31.4.5|
Show InChI InChI=1S/C28H32N2O3/c31-22-9-8-21-14-24-28-11-10-26(33-28,18-29-25(32)20-4-2-1-3-5-20)17-27(28,23(21)15-22)12-13-30(24)16-19-6-7-19/h1-5,8-9,15,19,24,31H,6-7,10-14,16-18H2,(H,29,32)/t24-,26+,27-,28-/m1/s1
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0.134n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in 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))
BDBM50336661
PNG
(CHEMBL1672475 | N-{[(1R,9R,10S,13S)-17-(cyclopropy...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(C[C@]5(CNC(=O)c6ccccc6)CC[C@@]34O5)c2c1 |r,THB:8:7:29:31.4.5|
Show InChI InChI=1S/C28H32N2O3/c31-22-9-8-21-14-24-28-11-10-26(33-28,18-29-25(32)20-4-2-1-3-5-20)17-27(28,23(21)15-22)12-13-30(24)16-19-6-7-19/h1-5,8-9,15,19,24,31H,6-7,10-14,16-18H2,(H,29,32)/t24-,26+,27-,28-/m1/s1
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0.135n/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)
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
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0.138n/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)
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
Mu-type opioid receptor


(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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0.140n/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 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))
BDBM50336680
PNG
(CHEMBL1672487 | N-[(6beta,14beta-Epoxy-3-hydroxy-1...)
Show SMILES CC(C)CN1CC[C@]23C[C@]4(CNC(=O)c5ccccc5O)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)15-30-12-11-27-16-26(17-29-25(33)21-5-3-4-6-23(21)32)9-10-28(27,34-26)24(30)13-19-7-8-20(31)14-22(19)27/h3-8,14,18,24,31-32H,9-13,15-17H2,1-2H3,(H,29,33)/t24-,26+,27-,28-/m1/s1
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0.141n/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)
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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0.145n/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 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
Mu-type opioid receptor


(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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0.147n/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))
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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0.147n/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)
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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0.156n/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)
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
Mu-type opioid receptor


(GUINEA PIG)
BDBM50347178
PNG
(CHEMBL1797688)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45C(Oc1c24)C1(O)CC[C@@]35OC1 |r|
Show InChI InChI=1S/C21H25NO4/c23-14-4-3-13-9-15-21-6-5-19(24,11-25-21)18-20(21,16(13)17(14)26-18)7-8-22(15)10-12-1-2-12/h3-4,12,15,18,23-24H,1-2,5-11H2/t15-,18?,19?,20+,21-/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]DAMGO from mu opioid receptor in guinea pig forebrain 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
Mu-type opioid receptor


(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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0.182n/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


(GUINEA PIG)
BDBM50336662
PNG
(CHEMBL1672474 | N-[(17-Cyclopropylmethyl-6beta,14b...)
Show SMILES CN(C[C@@]12CC[C@@]3(O1)[C@H]1Cc4ccc(O)cc4[C@]3(C2)CCN1CC1CC1)C(=O)c1ccccc1 |r,THB:22:21:6:16.10.9|
Show InChI InChI=1S/C29H34N2O3/c1-30(26(33)21-5-3-2-4-6-21)19-27-11-12-29(34-27)25-15-22-9-10-23(32)16-24(22)28(29,18-27)13-14-31(25)17-20-7-8-20/h2-6,9-10,16,20,25,32H,7-8,11-15,17-19H2,1H3/t25-,27+,28-,29-/m1/s1
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0.188n/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


(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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0.200n/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 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
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
3D
3D Structure (crystal)
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 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
3D
3D Structure (crystal)
Kappa-type opioid receptor


(Cavia porcellus (domestic 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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0.228n/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))
BDBM50277470
PNG
((1R,9R,10S,13R)-18-(cyclopropylmethyl)-4-hydroxy-1...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC(=O)[C@H]5CC[C@@]34O5)c2c1 |r,THB:8:7:21:23.4.5|
Show InChI InChI=1S/C21H25NO3/c23-15-4-3-14-9-19-21-6-5-18(25-21)17(24)11-20(21,16(14)10-15)7-8-22(19)12-13-1-2-13/h3-4,10,13,18-19,23H,1-2,5-9,11-12H2/t18-,19-,20-,21-/m1/s1
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0.233n/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
Mu-type opioid receptor


(GUINEA PIG)
BDBM50336676
PNG
(CHEMBL1672483 | N-[(6beta,14beta-Epoxy-3-hydroxy-1...)
Show SMILES Oc1ccc2C[C@H]3N(CCc4ccccc4)CC[C@@]4(C[C@]5(CNC(=O)c6ccccc6)CC[C@@]34O5)c2c1 |r,THB:8:7:33:35.4.5|
Show InChI InChI=1S/C32H34N2O3/c35-26-12-11-25-19-28-32-15-14-30(37-32,22-33-29(36)24-9-5-2-6-10-24)21-31(32,27(25)20-26)16-18-34(28)17-13-23-7-3-1-4-8-23/h1-12,20,28,35H,13-19,21-22H2,(H,33,36)/t28-,30+,31-,32-/m1/s1
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0.243n/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


(GUINEA PIG)
BDBM50336668
PNG
(CHEMBL1672476 | N-[(17-Cyclopropylmethyl-6beta,14b...)
Show SMILES CN(C[C@@]12CC[C@@]3(O1)[C@H]1Cc4ccc(O)cc4[C@]3(C2)CCN1CC1CC1)C(=O)c1ccc(C)cc1 |r,THB:22:21:6:16.10.9|
Show InChI InChI=1S/C30H36N2O3/c1-20-3-7-22(8-4-20)27(34)31(2)19-28-11-12-30(35-28)26-15-23-9-10-24(33)16-25(23)29(30,18-28)13-14-32(26)17-21-5-6-21/h3-4,7-10,16,21,26,33H,5-6,11-15,17-19H2,1-2H3/t26-,28+,29-,30-/m1/s1
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0.270n/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


(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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0.290n/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))
BDBM50336662
PNG
(CHEMBL1672474 | N-[(17-Cyclopropylmethyl-6beta,14b...)
Show SMILES CN(C[C@@]12CC[C@@]3(O1)[C@H]1Cc4ccc(O)cc4[C@]3(C2)CCN1CC1CC1)C(=O)c1ccccc1 |r,THB:22:21:6:16.10.9|
Show InChI InChI=1S/C29H34N2O3/c1-30(26(33)21-5-3-2-4-6-21)19-27-11-12-29(34-27)25-15-22-9-10-23(32)16-24(22)28(29,18-27)13-14-31(25)17-20-7-8-20/h2-6,9-10,16,20,25,32H,7-8,11-15,17-19H2,1H3/t25-,27+,28-,29-/m1/s1
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0.326n/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))
BDBM50347178
PNG
(CHEMBL1797688)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45C(Oc1c24)C1(O)CC[C@@]35OC1 |r|
Show InChI InChI=1S/C21H25NO4/c23-14-4-3-13-9-15-21-6-5-19(24,11-25-21)18-20(21,16(13)17(14)26-18)7-8-22(15)10-12-1-2-12/h3-4,12,15,18,23-24H,1-2,5-11H2/t15-,18?,19?,20+,21-/m1/s1
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0.340n/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))
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
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