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Compile Data Set for Download or QSAR

Found 2046 hits with Last Name = 'abe' and Initial = 'y'   
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
mu/kappa 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
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
mu/kappa 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
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
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)
BDBM50102826
PNG
(CHEMBL3339374)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)[C@@]1(O)CC[C@@]35N[C@@H]1CC(=O)NCc1ccccc1
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


(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
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
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM4227
PNG
(AHPBA 35a | Z-Asn.(2S,3S)-AHPBA-[3(R)-hydroxy]Pro ...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1C(O)CCN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C31H41N5O8/c1-31(2,3)35-28(41)25-23(37)14-15-36(25)29(42)26(39)21(16-19-10-6-4-7-11-19)33-27(40)22(17-24(32)38)34-30(43)44-18-20-12-8-5-9-13-20/h4-13,21-23,25-26,37,39H,14-18H2,1-3H3,(H2,32,38)(H,33,40)(H,34,43)(H,35,41)/t21-,22-,23?,25-,26-/m0/s1
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0.100 -59.4n/an/an/an/an/a4.737



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...


Bioorg Med Chem 4: 1365-77 (1996)


Article DOI: 10.1016/j.bmcl.2004.08.037
BindingDB Entry DOI: 10.7270/Q2V9868K
More data for this
Ligand-Target Pair
mu/kappa 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
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


(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
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
mu/kappa 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
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


(MOUSE)
BDBM50102828
PNG
(CHEMBL3339372)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)[C@@]1(O)CC[C@@]35N[C@H]1CC(=O)NCc1ccccc1
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
Mu-type opioid receptor


(MOUSE)
BDBM50102833
PNG
(CHEMBL3339378)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)[C@@]1(O)CC[C@@]35N=C1C(=O)NCc1ccccc1
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
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
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
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
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
mu/kappa 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
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
mu/kappa 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
Alpha-1D adrenergic receptor


(HUMAN)
BDBM50060964
PNG
((R)-5-(2-((2-(2-ethoxyphenoxy)ethyl)amino)propyl)-...)
Show SMILES CCOc1ccccc1OCCN[C@H](C)Cc1ccc(OC)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C20H28N2O5S/c1-4-26-17-7-5-6-8-18(17)27-12-11-22-15(2)13-16-9-10-19(25-3)20(14-16)28(21,23)24/h5-10,14-15,22H,4,11-13H2,1-3H3,(H2,21,23,24)/t15-/m1/s1
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0.180n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [125I] HEAT from human alpha1D adrenergic receptor expressed in Chlorocebus aethiops COS1 cell membranes incubated for 60 mins by liq...


J Med Chem 59: 2989-3002 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01528
BindingDB Entry DOI: 10.7270/Q20G3N2B
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50380909
PNG
(CHEMBL2016678)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@]1(O)CC[C@@]35N(CC2CC2)C1
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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0.190n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


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


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/kappa 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
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))
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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0.230n/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
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
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
Mu-type opioid receptor


(MOUSE)
BDBM50380910
PNG
(CHEMBL2016679)
Show SMILES CN[C@]12CCC(=O)[C@@H]3Oc4c5c(C[C@H]1N(CC1CC1)CC[C@@]235)ccc4O
Show InChI InChI=1S/C21H26N2O3/c1-22-21-7-6-15(25)19-20(21)8-9-23(11-12-2-3-12)16(21)10-13-4-5-14(24)18(26-19)17(13)20/h4-5,12,16,19,22,24H,2-3,6-11H2,1H3/t16-,19+,20+,21-/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 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)
BDBM50380912
PNG
(CHEMBL2016673)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@]1(O)CC[C@@]35NC1
Show InChI InChI=1S/C21H26N2O3/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/h3-4,12,15,18,22,24-25H,1-2,5-11H2/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 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)
BDBM50380905
PNG
(CHEMBL2016674)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@]1(O)CC[C@@]35N=C1
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 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)
BDBM50102835
PNG
(CHEMBL3339376)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)[C@@]1(O)CC[C@@]35N=C1
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
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50380906
PNG
(CHEMBL2016675)
Show SMILES CN1C[C@]2(O)CC[C@]11[C@H]3Cc4ccc(O)c5O[C@@H]2[C@]1(CCN3CC1CC1)c45
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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0.290n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


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


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
Delta-type opioid receptor


(MOUSE)
BDBM50102834
PNG
(CHEMBL3339377)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)[C@@]1(O)CC[C@@]35N=C1C(=O)Nc1ccccc1
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/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50380907
PNG
(CHEMBL2016676)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@]1(O)CC[C@@]35N(C1)C(=O)c1ccccc1
Show InChI InChI=1S/C28H30N2O4/c31-20-9-8-19-14-21-28-11-10-26(33,16-30(28)24(32)18-4-2-1-3-5-18)25-27(28,22(19)23(20)34-25)12-13-29(21)15-17-6-7-17/h1-5,8-9,17,21,25,31,33H,6-7,10-16H2/t21-,25+,26-,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]DPDPE from kappa opioid receptor in guinea pig cerebellum membrane


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/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50380910
PNG
(CHEMBL2016679)
Show SMILES CN[C@]12CCC(=O)[C@@H]3Oc4c5c(C[C@H]1N(CC1CC1)CC[C@@]235)ccc4O
Show InChI InChI=1S/C21H26N2O3/c1-22-21-7-6-15(25)19-20(21)8-9-23(11-12-2-3-12)16(21)10-13-4-5-14(24)18(26-19)17(13)20/h4-5,12,16,19,22,24H,2-3,6-11H2,1H3/t16-,19+,20+,21-/m1/s1
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0.350n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


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


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)
BDBM50102834
PNG
(CHEMBL3339377)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)[C@@]1(O)CC[C@@]35N=C1C(=O)Nc1ccccc1
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
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50016867
PNG
((S)-6-Amino-2-((S)-2-{(R)-2-[(S)-2-amino-3-(4-hydr...)
Show SMILES NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C30H45N9O5/c31-15-5-4-9-23(26(33)41)37-29(44)25(18-19-7-2-1-3-8-19)39-28(43)24(10-6-16-36-30(34)35)38-27(42)22(32)17-20-11-13-21(40)14-12-20/h1-3,7-8,11-14,22-25,40H,4-6,9-10,15-18,31-32H2,(H2,33,41)(H,37,44)(H,38,42)(H,39,43)(H4,34,35,36)/t22-,23-,24+,25-/m0/s1
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0.380n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity of the compound against mu-opioid receptor by using [3H]-DAGO as radioligand in rat brain


Bioorg Med Chem Lett 4: 2049-2054 (1994)


Article DOI: 10.1016/S0960-894X(01)80561-8
BindingDB Entry DOI: 10.7270/Q2MK6CV3
More data for this
Ligand-Target Pair
mu/kappa 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
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
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)
BDBM50380904
PNG
(CHEMBL2016672)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@]1(O)CC[C@@]35OC1
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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0.410n/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)
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
Mu-type opioid receptor


(MOUSE)
BDBM50102825
PNG
(CHEMBL3339375)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)[C@@]1(O)CC[C@@]35N2CN(Cc3ccccc3)C(=O)C[C@H]12
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
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
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
Mu-type opioid receptor


(MOUSE)
BDBM50380908
PNG
(CHEMBL2016677)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@]1(O)CC[C@@]35N(C1)C(=O)C1CC1
Show InChI InChI=1S/C25H30N2O4/c28-17-6-5-16-11-18-25-8-7-23(30,13-27(25)21(29)15-3-4-15)22-24(25,19(16)20(17)31-22)9-10-26(18)12-14-1-2-14/h5-6,14-15,18,22,28,30H,1-4,7-13H2/t18-,22+,23-,24+,25-/m1/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]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/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50380904
PNG
(CHEMBL2016672)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@]1(O)CC[C@@]35OC1
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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0.470n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


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


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
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50283041
PNG
((R)-2-{2-[2-Amino-4-(2-{(S)-guanidino-1-(S)-2-[(R)...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C52H71N15O9/c53-37(27-33-15-19-35(68)20-16-33)45(71)64-40(13-7-24-61-51(56)57)48(74)66-42(29-31-9-3-1-4-10-31)47(73)60-26-23-39(44(55)70)63-50(76)43(30-32-11-5-2-6-12-32)67-49(75)41(14-8-25-62-52(58)59)65-46(72)38(54)28-34-17-21-36(69)22-18-34/h1-6,9-12,15-22,37-43,68-69H,7-8,13-14,23-30,53-54H2,(H2,55,70)(H,60,73)(H,63,76)(H,64,71)(H,65,72)(H,66,74)(H,67,75)(H4,56,57,61)(H4,58,59,62)/t37-,38-,39-,40-,41-,42-,43-/m0/s1
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0.510n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity of the compound against mu-opioid receptor by using [3H]-DAGO as radioligand in rat brain


Bioorg Med Chem Lett 4: 2049-2054 (1994)


Article DOI: 10.1016/S0960-894X(01)80561-8
BindingDB Entry DOI: 10.7270/Q2MK6CV3
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
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
Alpha-1D adrenergic receptor


(HUMAN)
BDBM50164686
PNG
(CHEMBL3798124)
Show SMILES CC(c1cccc(Cl)c1)n1cc(Cl)cc(C(N)=O)c1=N
Show InChI InChI=1S/C14H13Cl2N3O/c1-8(9-3-2-4-10(15)5-9)19-7-11(16)6-12(13(19)17)14(18)20/h2-8,17H,1H3,(H2,18,20)
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0.660n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of 7-methoxy-[3H]-prazosin from human alpha1D adrenergic receptor expressed in CHO-K1 cell membranes incubated for 60 mins by liquid sci...


J Med Chem 59: 2989-3002 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01528
BindingDB Entry DOI: 10.7270/Q20G3N2B
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50102827
PNG
(CHEMBL3339373)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)[C@@]1(O)CC[C@@]35N2CN(Cc3ccccc3)C(=O)C[C@@H]12
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
Delta-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
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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0.740n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69,593 from mouse brain delta 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
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM25400
PNG
((2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-y...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C15H21N5O4/c21-5-9-11(22)12(23)15(24-9)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,21-23H,1-5H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1
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0.760n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor from rat brain membranes using [3H]cyclohexyladenosine as radioligand.


J Med Chem 35: 2881-90 (1992)


Article DOI: 10.1021/jm00093a022
BindingDB Entry DOI: 10.7270/Q22B8ZMC
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50102831
PNG
(CHEMBL3339380)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)[C@@]1(O)CC[C@@]35N[C@@H]1C(=O)NCc1ccccc1
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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0.810n/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)
BDBM50102832
PNG
(CHEMBL3339379)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)[C@@]1(O)CC[C@@]35N=C1C(=O)NCCc1ccccc1
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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0.860n/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/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50380912
PNG
(CHEMBL2016673)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@]1(O)CC[C@@]35NC1
Show InChI InChI=1S/C21H26N2O3/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/h3-4,12,15,18,22,24-25H,1-2,5-11H2/t15-,18+,19-,20+,21-/m1/s1
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0.860n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


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


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
Alpha-1D adrenergic receptor


(HUMAN)
BDBM50164745
PNG
(CHEMBL3800606)
Show SMILES NC(=O)c1cc(Cl)cn(Cc2cc(Cl)cc(c2)C#N)c1=N
Show InChI InChI=1S/C14H10Cl2N4O/c15-10-2-8(5-17)1-9(3-10)6-20-7-11(16)4-12(13(20)18)14(19)21/h1-4,7,18H,6H2,(H2,19,21)
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0.860n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of 7-methoxy-[3H]-prazosin from human alpha1D adrenergic receptor expressed in CHO-K1 cell membranes incubated for 60 mins by liquid sci...


J Med Chem 59: 2989-3002 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01528
BindingDB Entry DOI: 10.7270/Q20G3N2B
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50380907
PNG
(CHEMBL2016676)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@]1(O)CC[C@@]35N(C1)C(=O)c1ccccc1
Show InChI InChI=1S/C28H30N2O4/c31-20-9-8-19-14-21-28-11-10-26(33,16-30(28)24(32)18-4-2-1-3-5-18)25-27(28,22(19)23(20)34-25)12-13-29(21)15-17-6-7-17/h1-5,8-9,17,21,25,31,33H,6-7,10-16H2/t21-,25+,26-,27+,28-/m1/s1
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0.900n/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
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM4216
PNG
(AHPBA 24a | Z.Asn-(2S,3S)-AHPBA-[4(S)-hydroxy]Pro ...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1CC(O)CN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C31H41N5O8/c1-31(2,3)35-28(41)24-15-21(37)17-36(24)29(42)26(39)22(14-19-10-6-4-7-11-19)33-27(40)23(16-25(32)38)34-30(43)44-18-20-12-8-5-9-13-20/h4-13,21-24,26,37,39H,14-18H2,1-3H3,(H2,32,38)(H,33,40)(H,34,43)(H,35,41)/t21?,22-,23-,24-,26-/m0/s1
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1 -53.4n/an/an/an/an/a4.737



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...


Bioorg Med Chem 4: 1365-77 (1996)


Article DOI: 10.1016/j.bmcl.2004.08.037
BindingDB Entry DOI: 10.7270/Q2V9868K
More data for this
Ligand-Target Pair
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