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Compile Data Set for Download or QSAR

Found 647 hits with Last Name = 'gouda' 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))
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))
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)
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
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
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
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
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


(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
Delta-type opioid receptor


(Rattus norvegicus (rat))
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]DADLE from delta opioid receptor in rat cerebellum membrane


Bioorg Med Chem Lett 19: 2792-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.099
BindingDB Entry DOI: 10.7270/Q24F1RPS
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50599574
PNG
(CHEMBL5186730)
Show SMILES [H][C@@]12CC[C@@]3(O1)[C@@]1([H])Cc4ccc(O)cc4[C@@]3(CCN1CC1CC1)C[C@H]2NC(=O)c1ccccc1 |r,TLB:20:19:4:8.9.15|
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0.140n/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)
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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0.140n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


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


(MOUSE)
BDBM50102830
PNG
(CHEMBL3339381)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)[C@@]1(O)CC[C@@]35N[C@H]1C(=O)NCc1ccccc1 |r,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/C29H33N3O4/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/h1-5,8-9,18,21,24,26,31,33,35H,6-7,10-16H2,(H,30,34)/t21?,24-,26?,27?,28+,29+/m0/s1
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0.150n/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
Delta-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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0.150n/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 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))
BDBM50402010
PNG
(CHEMBL2205419)
Show SMILES CN([C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CC2)C1)C(=O)\C=C\c1ccoc1 |r|
Show InChI InChI=1S/C28H34N2O4/c1-29(26(32)7-4-20-9-13-34-18-20)22-8-10-28(33)25-14-21-5-6-23(31)15-24(21)27(28,16-22)11-12-30(25)17-19-2-3-19/h4-7,9,13,15,18-19,22,25,31,33H,2-3,8,10-12,14,16-17H2,1H3/b7-4+/t22-,25+,27+,28+/m0/s1
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0.163n/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 22: 7711-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.101
BindingDB Entry DOI: 10.7270/Q22B905B
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50599574
PNG
(CHEMBL5186730)
Show SMILES [H][C@@]12CC[C@@]3(O1)[C@@]1([H])Cc4ccc(O)cc4[C@@]3(CCN1CC1CC1)C[C@H]2NC(=O)c1ccccc1 |r,TLB:20:19:4:8.9.15|
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0.165n/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))
BDBM50102830
PNG
(CHEMBL3339381)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)[C@@]1(O)CC[C@@]35N[C@H]1C(=O)NCc1ccccc1 |r,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/C29H33N3O4/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/h1-5,8-9,18,21,24,26,31,33,35H,6-7,10-16H2,(H,30,34)/t21?,24-,26?,27?,28+,29+/m0/s1
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0.180n/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))
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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0.180n/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
3D
3D Structure (crystal)
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50294426
PNG
(CHEMBL559518 | SN-11)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4Cc5cc6ccccc6nc5C[C@]4(CCN3CC3CC3)c2c1 |r,THB:24:23:7:28.4.5|
Show InChI InChI=1S/C27H28N2O/c30-21-8-7-18-13-26-23-12-20-11-19-3-1-2-4-24(19)28-25(20)15-27(23,22(18)14-21)9-10-29(26)16-17-5-6-17/h1-4,7-8,11,14,17,23,26,30H,5-6,9-10,12-13,15-16H2/t23-,26+,27+/m0/s1
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0.190n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DADLE from delta opioid receptor in rat cerebellum membrane


Bioorg Med Chem Lett 19: 2792-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.099
BindingDB Entry DOI: 10.7270/Q24F1RPS
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50294427
PNG
(CHEMBL564538 | SN-23)
Show SMILES CC(C)CN1CC[C@]23Cc4nc5ccccc5cc4C[C@H]2[C@H]1Cc1ccc(O)cc31 |r,THB:3:4:20:29.23.22|
Show InChI InChI=1S/C27H30N2O/c1-17(2)16-29-10-9-27-15-25-20(11-19-5-3-4-6-24(19)28-25)12-23(27)26(29)13-18-7-8-21(30)14-22(18)27/h3-8,11,14,17,23,26,30H,9-10,12-13,15-16H2,1-2H3/t23-,26+,27+/m0/s1
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0.190n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DADLE from delta opioid receptor in rat cerebellum membrane


Bioorg Med Chem Lett 19: 2792-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.099
BindingDB Entry DOI: 10.7270/Q24F1RPS
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50599575
PNG
(CHEMBL5178511)
Show SMILES [H][C@@]12CC[C@@]3(O1)[C@@]1([H])Cc4ccc(O)cc4[C@@]3(CCN1CC1CC1)C[C@H]2NC(=O)Cc1ccccc1 |r,TLB:20:19:4:8.9.15|
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0.193n/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


(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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0.197n/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))
BDBM50102831
PNG
(CHEMBL3339380)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)[C@@]1(O)CC[C@@]35N[C@@H]1C(=O)NCc1ccccc1 |r,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/C29H33N3O4/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/h1-5,8-9,18,21,24,26,31,33,35H,6-7,10-16H2,(H,30,34)/t21?,24-,26?,27?,28-,29-/m1/s1
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0.230n/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


(Homo sapiens (Human))
BDBM50274347
PNG
((2E)-N-[(5R,6R)-17-(cyclopropylmethyl)-4,5-epoxy-3...)
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 |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)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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0.238n/an/an/an/an/an/an/an/a



University of Tsukuba

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cell membranes by micro-beta scintillation counting method


J Med Chem 60: 1018-1040 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01418
BindingDB Entry DOI: 10.7270/Q22N54JH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mu-type opioid receptor


(MOUSE)
BDBM50102831
PNG
(CHEMBL3339380)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)[C@@]1(O)CC[C@@]35N[C@@H]1C(=O)NCc1ccccc1 |r,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/C29H33N3O4/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/h1-5,8-9,18,21,24,26,31,33,35H,6-7,10-16H2,(H,30,34)/t21?,24-,26?,27?,28-,29-/m1/s1
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0.240n/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


(Homo sapiens (Human))
BDBM50599580
PNG
(CHEMBL5200050)
Show SMILES [H][C@@]12CC[C@@]3(O1)[C@@]1([H])Cc4ccc(O)cc4[C@@]3(CCN1CC1CC1)C[C@H]2N(C)C(=O)c1ccccc1 |r,TLB:20:19:4:8.9.15|
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0.256n/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


(Homo sapiens (Human))
BDBM50599575
PNG
(CHEMBL5178511)
Show SMILES [H][C@@]12CC[C@@]3(O1)[C@@]1([H])Cc4ccc(O)cc4[C@@]3(CCN1CC1CC1)C[C@H]2NC(=O)Cc1ccccc1 |r,TLB:20:19:4:8.9.15|
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0.267n/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


(Homo sapiens (Human))
BDBM50599581
PNG
(CHEMBL5185996)
Show SMILES [H][C@@]12CC[C@@]3(O1)[C@@]1([H])Cc4ccc(O)cc4[C@@]3(CCN1CC1CC1)C[C@H]2N(C)C(=O)Cc1ccccc1 |r,TLB:20:19:4:8.9.15|
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0.278n/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)
BDBM50102835
PNG
(CHEMBL3339376)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)[C@@]1(O)CC[C@@]35N=C1 |r,c:30,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/C21H24N2O3/c24-14-4-3-13-9-15-21-6-5-19(25,11-22-21)18-20(21,16(13)17(14)26-18)7-8-23(15)10-12-1-2-12/h3-4,11-12,15,18,24-25H,1-2,5-10H2/t15?,18?,19-,20?,21-/m1/s1
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0.280n/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
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM21864
PNG
((21R)-22-(cyclopropylmethyl)-14-oxa-11,22-diazahep...)
Show SMILES [H][C@@]12Cc3ccc(O)c4OC5c6[nH]c7ccccc7c6CC1(O)C5(CCN2CC1CC1)c34 |THB:27:26:21:31.2.3|
Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24?,25?,26?/m0/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]DADLE from delta opioid receptor in rat cerebellum membrane


Bioorg Med Chem Lett 19: 2792-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.099
BindingDB Entry DOI: 10.7270/Q24F1RPS
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50402009
PNG
(CHEMBL2205420)
Show SMILES CN([C@H]1CC[C@@]2(O)[C@H]3Cc4ccccc4[C@@]2(CCN3CC2CC2)C1)C(=O)\C=C\c1ccoc1 |r|
Show InChI InChI=1S/C28H34N2O3/c1-29(26(31)9-8-21-11-15-33-19-21)23-10-12-28(32)25-16-22-4-2-3-5-24(22)27(28,17-23)13-14-30(25)18-20-6-7-20/h2-5,8-9,11,15,19-20,23,25,32H,6-7,10,12-14,16-18H2,1H3/b9-8+/t23-,25+,27+,28+/m0/s1
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0.303n/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 22: 7711-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.101
BindingDB Entry DOI: 10.7270/Q22B905B
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50102834
PNG
(CHEMBL3339377)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)[C@@]1(O)CC[C@@]35N=C1C(=O)Nc1ccccc1 |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/C28H29N3O4/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/h1-5,8-9,16,20,25,32,34H,6-7,10-15H2,(H,29,33)/t20?,25?,26?,27-,28-/m1/s1
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0.320n/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 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


(MOUSE)
BDBM50402010
PNG
(CHEMBL2205419)
Show SMILES CN([C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CC2)C1)C(=O)\C=C\c1ccoc1 |r|
Show InChI InChI=1S/C28H34N2O4/c1-29(26(32)7-4-20-9-13-34-18-20)22-8-10-28(33)25-14-21-5-6-23(31)15-24(21)27(28,16-22)11-12-30(25)17-19-2-3-19/h4-7,9,13,15,18-19,22,25,31,33H,2-3,8,10-12,14,16-17H2,1H3/b7-4+/t22-,25+,27+,28+/m0/s1
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0.324n/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 without cerebellum


Bioorg Med Chem Lett 22: 7711-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.101
BindingDB Entry DOI: 10.7270/Q22B905B
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50599582
PNG
(CHEMBL5200992)
Show SMILES [H][C@@]12CC[C@@]3(O1)[C@@]1([H])Cc4ccc(O)cc4[C@@]3(CCN1CC1CC1)C[C@H]2N(C)C(=O)CCc1ccccc1 |r,TLB:20:19:4:8.9.15|
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0.332n/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))
BDBM50402008
PNG
(CHEMBL2205421)
Show SMILES CN([C@@H]1CC[C@@]2(O)[C@H]3Cc4ccccc4[C@@]2(CCN3CC2CC2)C1)C(=O)\C=C\c1ccoc1 |r|
Show InChI InChI=1S/C28H34N2O3/c1-29(26(31)9-8-21-11-15-33-19-21)23-10-12-28(32)25-16-22-4-2-3-5-24(22)27(28,17-23)13-14-30(25)18-20-6-7-20/h2-5,8-9,11,15,19-20,23,25,32H,6-7,10,12-14,16-18H2,1H3/b9-8+/t23-,25-,27-,28-/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]U-69,593 from kappa opioid receptor in guinea pig cerebellum membranes


Bioorg Med Chem Lett 22: 7711-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.101
BindingDB Entry DOI: 10.7270/Q22B905B
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50402011
PNG
(CHEMBL2205418)
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|
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+/m0/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]U-69,593 from kappa opioid receptor in guinea pig cerebellum membranes


Bioorg Med Chem Lett 22: 7711-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.101
BindingDB Entry DOI: 10.7270/Q22B905B
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50294426
PNG
(CHEMBL559518 | SN-11)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4Cc5cc6ccccc6nc5C[C@]4(CCN3CC3CC3)c2c1 |r,THB:24:23:7:28.4.5|
Show InChI InChI=1S/C27H28N2O/c30-21-8-7-18-13-26-23-12-20-11-19-3-1-2-4-24(19)28-25(20)15-27(23,22(18)14-21)9-10-29(26)16-17-5-6-17/h1-4,7-8,11,14,17,23,26,30H,5-6,9-10,12-13,15-16H2/t23-,26+,27+/m0/s1
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0.360n/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 19: 2792-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.099
BindingDB Entry DOI: 10.7270/Q24F1RPS
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50102834
PNG
(CHEMBL3339377)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)[C@@]1(O)CC[C@@]35N=C1C(=O)Nc1ccccc1 |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/C28H29N3O4/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/h1-5,8-9,16,20,25,32,34H,6-7,10-15H2,(H,29,33)/t20?,25?,26?,27-,28-/m1/s1
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0.360n/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))
BDBM50102834
PNG
(CHEMBL3339377)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)[C@@]1(O)CC[C@@]35N=C1C(=O)Nc1ccccc1 |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/C28H29N3O4/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/h1-5,8-9,16,20,25,32,34H,6-7,10-15H2,(H,29,33)/t20?,25?,26?,27-,28-/m1/s1
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0.380n/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)
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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0.400n/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


(MOUSE)
BDBM50102825
PNG
(CHEMBL3339375)
Show SMILES [H][C@]12CC(=O)N(Cc3ccccc3)CN1[C@]13CC[C@]2(O)C2Oc4c5c(CC1N(CC1CC1)CCC325)ccc4O |r,TLB:35:24:15:27.32.33,28:27:24.23.25:15,22:23:15:27.32.33,14:15:24.23.25:27.32.33,16:15:24.23.25:27.32.33|
Show InChI InChI=1S/C31H35N3O4/c35-22-9-8-21-14-24-31-11-10-30(37,23-15-25(36)33(18-34(23)31)17-19-4-2-1-3-5-19)28-29(31,26(21)27(22)38-28)12-13-32(24)16-20-6-7-20/h1-5,8-9,20,23-24,28,35,37H,6-7,10-18H2/t23-,24?,28?,29?,30-,31-/m1/s1
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0.430n/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


(MOUSE)
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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0.430n/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
Delta-type opioid receptor


(MOUSE)
BDBM50102830
PNG
(CHEMBL3339381)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)[C@@]1(O)CC[C@@]35N[C@H]1C(=O)NCc1ccccc1 |r,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/C29H33N3O4/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/h1-5,8-9,18,21,24,26,31,33,35H,6-7,10-16H2,(H,30,34)/t21?,24-,26?,27?,28+,29+/m0/s1
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0.450n/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 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))
BDBM50402017
PNG
(CHEMBL2205412)
Show SMILES CN([C@H]1CC[C@@]2(O)[C@H]3CC4=C(C[C@@H](O)CC4)[C@@]2(CCN3CC2CC2)C1)C(=O)\C=C\c1ccoc1 |r,t:9|
Show InChI InChI=1S/C28H38N2O4/c1-29(26(32)7-4-20-9-13-34-18-20)22-8-10-28(33)25-14-21-5-6-23(31)15-24(21)27(28,16-22)11-12-30(25)17-19-2-3-19/h4,7,9,13,18-19,22-23,25,31,33H,2-3,5-6,8,10-12,14-17H2,1H3/b7-4+/t22-,23-,25+,27+,28+/m0/s1
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0.451n/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 22: 7711-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.101
BindingDB Entry DOI: 10.7270/Q22B905B
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50599575
PNG
(CHEMBL5178511)
Show SMILES [H][C@@]12CC[C@@]3(O1)[C@@]1([H])Cc4ccc(O)cc4[C@@]3(CCN1CC1CC1)C[C@H]2NC(=O)Cc1ccccc1 |r,TLB:20:19:4:8.9.15|
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0.522n/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)
BDBM50274401
PNG
((2E)-N-[(5R,6S)-17-(Cyclopropylmethyl)-4,5-epoxy-3...)
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 |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)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+/m0/s1
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0.560n/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 without cerebellum


Bioorg Med Chem Lett 22: 7711-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.101
BindingDB Entry DOI: 10.7270/Q22B905B
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50599577
PNG
(CHEMBL5208385)
Show SMILES [H][C@@]12CC[C@@]3(O1)[C@@]1([H])Cc4ccc(O)cc4[C@@]3(CCN1CC1CC1)C[C@@H]2NC(=O)c1ccccc1 |r,TLB:20:19:4:8.9.15|
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0.564n/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
Delta-type opioid receptor


(MOUSE)
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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0.610n/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 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
Delta-type opioid receptor


(MOUSE)
BDBM50402010
PNG
(CHEMBL2205419)
Show SMILES CN([C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CC2)C1)C(=O)\C=C\c1ccoc1 |r|
Show InChI InChI=1S/C28H34N2O4/c1-29(26(32)7-4-20-9-13-34-18-20)22-8-10-28(33)25-14-21-5-6-23(31)15-24(21)27(28,16-22)11-12-30(25)17-19-2-3-19/h4-7,9,13,15,18-19,22,25,31,33H,2-3,8,10-12,14,16-17H2,1H3/b7-4+/t22-,25+,27+,28+/m0/s1
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0.623n/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 Lett 22: 7711-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.101
BindingDB Entry DOI: 10.7270/Q22B905B
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50102827
PNG
(CHEMBL3339373)
Show SMILES [H][C@@]12CC(=O)N(Cc3ccccc3)CN1[C@]13CC[C@]2(O)C2Oc4c5c(CC1N(CC1CC1)CCC325)ccc4O |r,TLB:35:24:15:27.32.33,28:27:24.23.25:15,22:23:15:27.32.33,14:15:24.23.25:27.32.33,16:15:24.23.25:27.32.33|
Show InChI InChI=1S/C31H35N3O4/c35-22-9-8-21-14-24-31-11-10-30(37,23-15-25(36)33(18-34(23)31)17-19-4-2-1-3-5-19)28-29(31,26(21)27(22)38-28)12-13-32(24)16-20-6-7-20/h1-5,8-9,20,23-24,28,35,37H,6-7,10-18H2/t23-,24?,28?,29?,30+,31+/m0/s1
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0.680n/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))
BDBM50274401
PNG
((2E)-N-[(5R,6S)-17-(Cyclopropylmethyl)-4,5-epoxy-3...)
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 |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)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+/m0/s1
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0.710n/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 22: 7711-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.101
BindingDB Entry DOI: 10.7270/Q22B905B
More data for this
Ligand-Target Pair
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