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Compile Data Set for Download or QSAR

Found 51 hits Enz. Inhib. hit(s) with all data for entry = 50034296   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Delta-type opioid receptor


(MOUSE)
BDBM50360146
PNG
(CHEMBL1929368)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4Cc5cc6ccccc6nc5C[C@]4(CCN3CC3CCC3)c2c1 |r,THB:24:23:7:29.4.5|
Show InChI InChI=1S/C28H30N2O/c31-22-9-8-19-14-27-24-13-21-12-20-6-1-2-7-25(20)29-26(21)16-28(24,23(19)15-22)10-11-30(27)17-18-4-3-5-18/h1-2,6-9,12,15,18,24,27,31H,3-5,10-11,13-14,16-17H2/t24-,27+,28+/m0/s1
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0.120n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


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


Bioorg Med Chem 20: 949-61 (2012)


Article DOI: 10.1016/j.bmc.2011.11.047
BindingDB Entry DOI: 10.7270/Q2H995MX
More data for this
Ligand-Target Pair
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 cerebrum membranes


Bioorg Med Chem 20: 949-61 (2012)


Article DOI: 10.1016/j.bmc.2011.11.047
BindingDB Entry DOI: 10.7270/Q2H995MX
More data for this
Ligand-Target Pair
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 cerebrum membranes


Bioorg Med Chem 20: 949-61 (2012)


Article DOI: 10.1016/j.bmc.2011.11.047
BindingDB Entry DOI: 10.7270/Q2H995MX
More data for this
Ligand-Target Pair
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 cerebrum membranes


Bioorg Med Chem 20: 949-61 (2012)


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


(Rattus norvegicus (rat))
BDBM50360142
PNG
(CHEMBL1929365)
Show SMILES Oc1cccc2C[C@@H]3[C@@H]4Cc5cc6ccccc6nc5C[C@]4(CCN3CC3CC3)c12 |r,THB:25:24:8:29.5.6|
Show InChI InChI=1S/C27H28N2O/c30-25-7-3-5-19-14-24-21-13-20-12-18-4-1-2-6-22(18)28-23(20)15-27(21,26(19)25)10-11-29(24)16-17-8-9-17/h1-7,12,17,21,24,30H,8-11,13-16H2/t21-,24+,27-/m0/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]DADLE from delta opioid receptor in rat cerebrum membranes


Bioorg Med Chem 20: 949-61 (2012)


Article DOI: 10.1016/j.bmc.2011.11.047
BindingDB Entry DOI: 10.7270/Q2H995MX
More data for this
Ligand-Target Pair
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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0.290n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


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


Bioorg Med Chem 20: 949-61 (2012)


Article DOI: 10.1016/j.bmc.2011.11.047
BindingDB Entry DOI: 10.7270/Q2H995MX
More data for this
Ligand-Target Pair
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 cerebrum membranes


Bioorg Med Chem 20: 949-61 (2012)


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


(MOUSE)
BDBM50360147
PNG
(CHEMBL1929369)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4Cc5cc6ccccc6nc5C[C@]4(CCN3CC3CCCC3)c2c1 |r,THB:24:23:7:30.4.5|
Show InChI InChI=1S/C29H32N2O/c32-23-10-9-20-15-28-25-14-22-13-21-7-3-4-8-26(21)30-27(22)17-29(25,24(20)16-23)11-12-31(28)18-19-5-1-2-6-19/h3-4,7-10,13,16,19,25,28,32H,1-2,5-6,11-12,14-15,17-18H2/t25-,28+,29+/m0/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 delta opioid receptor in mouse whole brain membranes without cerebellum


Bioorg Med Chem 20: 949-61 (2012)


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


(Cavia porcellus (domestic guinea pig))
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-69,593 from kappa opioid receptor in guinea pig cerebrum membranes


Bioorg Med Chem 20: 949-61 (2012)


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


(Rattus norvegicus (rat))
BDBM50360143
PNG
(CHEMBL1929363)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4Cc5cc6ccccc6nc5[C@@H]5Oc1c2[C@]45CCN3CC1CC1 |r|
Show InChI InChI=1S/C27H26N2O2/c30-22-8-7-17-13-21-19-12-18-11-16-3-1-2-4-20(16)28-24(18)26-27(19,23(17)25(22)31-26)9-10-29(21)14-15-5-6-15/h1-4,7-8,11,15,19,21,26,30H,5-6,9-10,12-14H2/t19-,21+,26-,27-/m0/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]DADLE from delta opioid receptor in rat cerebrum membranes


Bioorg Med Chem 20: 949-61 (2012)


Article DOI: 10.1016/j.bmc.2011.11.047
BindingDB Entry DOI: 10.7270/Q2H995MX
More data for this
Ligand-Target Pair
Mu-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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0.770n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


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


Bioorg Med Chem 20: 949-61 (2012)


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


(Rattus norvegicus (rat))
BDBM50360141
PNG
(CHEMBL1929364)
Show SMILES CN1CC[C@]23Cc4nc5ccccc5cc4C[C@H]2[C@H]1Cc1cccc(O)c31 |r,THB:0:1:17:26.20.19|
Show InChI InChI=1S/C24H24N2O/c1-26-10-9-24-14-20-17(11-15-5-2-3-7-19(15)25-20)12-18(24)21(26)13-16-6-4-8-22(27)23(16)24/h2-8,11,18,21,27H,9-10,12-14H2,1H3/t18-,21+,24-/m0/s1
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1n/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 cerebrum membranes


Bioorg Med Chem 20: 949-61 (2012)


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


(Cavia porcellus (domestic guinea pig))
BDBM50360146
PNG
(CHEMBL1929368)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4Cc5cc6ccccc6nc5C[C@]4(CCN3CC3CCC3)c2c1 |r,THB:24:23:7:29.4.5|
Show InChI InChI=1S/C28H30N2O/c31-22-9-8-19-14-27-24-13-21-12-20-6-1-2-7-25(20)29-26(21)16-28(24,23(19)15-22)10-11-30(27)17-18-4-3-5-18/h1-2,6-9,12,15,18,24,27,31H,3-5,10-11,13-14,16-17H2/t24-,27+,28+/m0/s1
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1.10n/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 cerebrum membranes


Bioorg Med Chem 20: 949-61 (2012)


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


(Rattus norvegicus (rat))
BDBM50360140
PNG
(CHEMBL1929362)
Show SMILES CC(C)CN1CC[C@]23Cc4nc5ccccc5cc4C[C@H]2[C@H]1Cc1cccc(O)c31 |r,THB:3:4:20:29.23.22|
Show InChI InChI=1S/C27H30N2O/c1-17(2)16-29-11-10-27-15-23-20(12-18-6-3-4-8-22(18)28-23)13-21(27)24(29)14-19-7-5-9-25(30)26(19)27/h3-9,12,17,21,24,30H,10-11,13-16H2,1-2H3/t21-,24+,27-/m0/s1
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1.20n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DADLE from delta opioid receptor in rat cerebrum membranes


Bioorg Med Chem 20: 949-61 (2012)


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


(Rattus norvegicus (rat))
BDBM50290872
PNG
((-)-rel-3-((4aR,12aS)-2-methyl-1,2,3,4,4a,5,12,12a...)
Show SMILES CN1CC[C@@]2(Cc3nc4ccccc4cc3C[C@H]2C1)c1cccc(O)c1 |r|
Show InChI InChI=1S/C23H24N2O/c1-25-10-9-23(18-6-4-7-20(26)13-18)14-22-17(12-19(23)15-25)11-16-5-2-3-8-21(16)24-22/h2-8,11,13,19,26H,9-10,12,14-15H2,1H3/t19-,23+/m0/s1
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1.40n/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 cerebrum membranes


Bioorg Med Chem 20: 949-61 (2012)


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


(Cavia porcellus (domestic guinea pig))
BDBM50360147
PNG
(CHEMBL1929369)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4Cc5cc6ccccc6nc5C[C@]4(CCN3CC3CCCC3)c2c1 |r,THB:24:23:7:30.4.5|
Show InChI InChI=1S/C29H32N2O/c32-23-10-9-20-15-28-25-14-22-13-21-7-3-4-8-26(21)30-27(22)17-29(25,24(20)16-23)11-12-31(28)18-19-5-1-2-6-19/h3-4,7-10,13,16,19,25,28,32H,1-2,5-6,11-12,14-15,17-18H2/t25-,28+,29+/m0/s1
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3.5n/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 cerebrum membranes


Bioorg Med Chem 20: 949-61 (2012)


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


(Cavia porcellus (domestic guinea pig))
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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4.40n/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 cerebrum membranes


Bioorg Med Chem 20: 949-61 (2012)


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


(MOUSE)
BDBM50360145
PNG
(CHEMBL1929367)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4Cc5cc6ccccc6nc5C[C@]4(CCN3CCc3ccccc3)c2c1 |r,THB:24:23:7:32.4.5|
Show InChI InChI=1S/C31H30N2O/c34-25-11-10-22-18-30-27-17-24-16-23-8-4-5-9-28(23)32-29(24)20-31(27,26(22)19-25)13-15-33(30)14-12-21-6-2-1-3-7-21/h1-11,16,19,27,30,34H,12-15,17-18,20H2/t27-,30+,31+/m0/s1
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4.70n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


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


Bioorg Med Chem 20: 949-61 (2012)


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


(MOUSE)
BDBM50360146
PNG
(CHEMBL1929368)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4Cc5cc6ccccc6nc5C[C@]4(CCN3CC3CCC3)c2c1 |r,THB:24:23:7:29.4.5|
Show InChI InChI=1S/C28H30N2O/c31-22-9-8-19-14-27-24-13-21-12-20-6-1-2-7-25(20)29-26(21)16-28(24,23(19)15-22)10-11-30(27)17-18-4-3-5-18/h1-2,6-9,12,15,18,24,27,31H,3-5,10-11,13-14,16-17H2/t24-,27+,28+/m0/s1
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6.30n/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 20: 949-61 (2012)


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


(Cavia porcellus (domestic guinea pig))
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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10n/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 cerebrum membranes


Bioorg Med Chem 20: 949-61 (2012)


Article DOI: 10.1016/j.bmc.2011.11.047
BindingDB Entry DOI: 10.7270/Q2H995MX
More data for this
Ligand-Target Pair
Mu-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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12n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


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


Bioorg Med Chem 20: 949-61 (2012)


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


(MOUSE)
BDBM50360144
PNG
(CHEMBL1929366)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4Cc5cc6ccccc6nc5C[C@]4(CCN3Cc3ccccc3)c2c1 |r,THB:24:23:7:31.4.5|
Show InChI InChI=1S/C30H28N2O/c33-24-11-10-21-16-29-26-15-23-14-22-8-4-5-9-27(22)31-28(23)18-30(26,25(21)17-24)12-13-32(29)19-20-6-2-1-3-7-20/h1-11,14,17,26,29,33H,12-13,15-16,18-19H2/t26-,29+,30+/m0/s1
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12n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


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


Bioorg Med Chem 20: 949-61 (2012)


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


(MOUSE)
BDBM50360145
PNG
(CHEMBL1929367)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4Cc5cc6ccccc6nc5C[C@]4(CCN3CCc3ccccc3)c2c1 |r,THB:24:23:7:32.4.5|
Show InChI InChI=1S/C31H30N2O/c34-25-11-10-22-18-30-27-17-24-16-23-8-4-5-9-28(23)32-29(24)20-31(27,26(22)19-25)13-15-33(30)14-12-21-6-2-1-3-7-21/h1-11,16,19,27,30,34H,12-15,17-18,20H2/t27-,30+,31+/m0/s1
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13n/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 20: 949-61 (2012)


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


(Rattus norvegicus (rat))
BDBM50360143
PNG
(CHEMBL1929363)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4Cc5cc6ccccc6nc5[C@@H]5Oc1c2[C@]45CCN3CC1CC1 |r|
Show InChI InChI=1S/C27H26N2O2/c30-22-8-7-17-13-21-19-12-18-11-16-3-1-2-4-20(16)28-24(18)26-27(19,23(17)25(22)31-26)9-10-29(21)14-15-5-6-15/h1-4,7-8,11,15,19,21,26,30H,5-6,9-10,12-14H2/t19-,21+,26-,27-/m0/s1
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13n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


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


Bioorg Med Chem 20: 949-61 (2012)


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


(Cavia porcellus (domestic guinea pig))
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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14n/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 cerebrum membranes


Bioorg Med Chem 20: 949-61 (2012)


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


(Cavia porcellus (domestic guinea pig))
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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14n/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 cerebrum membranes


Bioorg Med Chem 20: 949-61 (2012)


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


(Cavia porcellus (domestic guinea pig))
BDBM50360143
PNG
(CHEMBL1929363)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4Cc5cc6ccccc6nc5[C@@H]5Oc1c2[C@]45CCN3CC1CC1 |r|
Show InChI InChI=1S/C27H26N2O2/c30-22-8-7-17-13-21-19-12-18-11-16-3-1-2-4-20(16)28-24(18)26-27(19,23(17)25(22)31-26)9-10-29(21)14-15-5-6-15/h1-4,7-8,11,15,19,21,26,30H,5-6,9-10,12-14H2/t19-,21+,26-,27-/m0/s1
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15n/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 cerebrum membranes


Bioorg Med Chem 20: 949-61 (2012)


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


(Cavia porcellus (domestic guinea pig))
BDBM50360145
PNG
(CHEMBL1929367)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4Cc5cc6ccccc6nc5C[C@]4(CCN3CCc3ccccc3)c2c1 |r,THB:24:23:7:32.4.5|
Show InChI InChI=1S/C31H30N2O/c34-25-11-10-22-18-30-27-17-24-16-23-8-4-5-9-28(23)32-29(24)20-31(27,26(22)19-25)13-15-33(30)14-12-21-6-2-1-3-7-21/h1-11,16,19,27,30,34H,12-15,17-18,20H2/t27-,30+,31+/m0/s1
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18n/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 cerebrum membranes


Bioorg Med Chem 20: 949-61 (2012)


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


(Cavia porcellus (domestic guinea pig))
BDBM50360142
PNG
(CHEMBL1929365)
Show SMILES Oc1cccc2C[C@@H]3[C@@H]4Cc5cc6ccccc6nc5C[C@]4(CCN3CC3CC3)c12 |r,THB:25:24:8:29.5.6|
Show InChI InChI=1S/C27H28N2O/c30-25-7-3-5-19-14-24-21-13-20-12-18-4-1-2-6-22(18)28-23(20)15-27(21,26(19)25)10-11-29(24)16-17-8-9-17/h1-7,12,17,21,24,30H,8-11,13-16H2/t21-,24+,27-/m0/s1
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18n/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 cerebrum membranes


Bioorg Med Chem 20: 949-61 (2012)


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


(MOUSE)
BDBM50360147
PNG
(CHEMBL1929369)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4Cc5cc6ccccc6nc5C[C@]4(CCN3CC3CCCC3)c2c1 |r,THB:24:23:7:30.4.5|
Show InChI InChI=1S/C29H32N2O/c32-23-10-9-20-15-28-25-14-22-13-21-7-3-4-8-26(21)30-27(22)17-29(25,24(20)16-23)11-12-31(28)18-19-5-1-2-6-19/h3-4,7-10,13,16,19,25,28,32H,1-2,5-6,11-12,14-15,17-18H2/t25-,28+,29+/m0/s1
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20n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


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


Bioorg Med Chem 20: 949-61 (2012)


Article DOI: 10.1016/j.bmc.2011.11.047
BindingDB Entry DOI: 10.7270/Q2H995MX
More data for this
Ligand-Target Pair
Mu-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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23n/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 20: 949-61 (2012)


Article DOI: 10.1016/j.bmc.2011.11.047
BindingDB Entry DOI: 10.7270/Q2H995MX
More data for this
Ligand-Target Pair
Mu-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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24n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


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


Bioorg Med Chem 20: 949-61 (2012)


Article DOI: 10.1016/j.bmc.2011.11.047
BindingDB Entry DOI: 10.7270/Q2H995MX
More data for this
Ligand-Target Pair
Mu-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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24n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


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


Bioorg Med Chem 20: 949-61 (2012)


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


(Cavia porcellus (domestic guinea pig))
BDBM50360144
PNG
(CHEMBL1929366)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4Cc5cc6ccccc6nc5C[C@]4(CCN3Cc3ccccc3)c2c1 |r,THB:24:23:7:31.4.5|
Show InChI InChI=1S/C30H28N2O/c33-24-11-10-21-16-29-26-15-23-14-22-8-4-5-9-27(22)31-28(23)18-30(26,25(21)17-24)12-13-32(29)19-20-6-2-1-3-7-20/h1-11,14,17,26,29,33H,12-13,15-16,18-19H2/t26-,29+,30+/m0/s1
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50n/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 cerebrum membranes


Bioorg Med Chem 20: 949-61 (2012)


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


(Rattus norvegicus (rat))
BDBM50360141
PNG
(CHEMBL1929364)
Show SMILES CN1CC[C@]23Cc4nc5ccccc5cc4C[C@H]2[C@H]1Cc1cccc(O)c31 |r,THB:0:1:17:26.20.19|
Show InChI InChI=1S/C24H24N2O/c1-26-10-9-24-14-20-17(11-15-5-2-3-7-19(15)25-20)12-18(24)21(26)13-16-6-4-8-22(27)23(16)24/h2-8,11,18,21,27H,9-10,12-14H2,1H3/t18-,21+,24-/m0/s1
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52n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


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


Bioorg Med Chem 20: 949-61 (2012)


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


(MOUSE)
BDBM50360144
PNG
(CHEMBL1929366)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4Cc5cc6ccccc6nc5C[C@]4(CCN3Cc3ccccc3)c2c1 |r,THB:24:23:7:31.4.5|
Show InChI InChI=1S/C30H28N2O/c33-24-11-10-21-16-29-26-15-23-14-22-8-4-5-9-27(22)31-28(23)18-30(26,25(21)17-24)12-13-32(29)19-20-6-2-1-3-7-20/h1-11,14,17,26,29,33H,12-13,15-16,18-19H2/t26-,29+,30+/m0/s1
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77n/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 20: 949-61 (2012)


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


(Rattus norvegicus (rat))
BDBM50360142
PNG
(CHEMBL1929365)
Show SMILES Oc1cccc2C[C@@H]3[C@@H]4Cc5cc6ccccc6nc5C[C@]4(CCN3CC3CC3)c12 |r,THB:25:24:8:29.5.6|
Show InChI InChI=1S/C27H28N2O/c30-25-7-3-5-19-14-24-21-13-20-12-18-4-1-2-6-22(18)28-23(20)15-27(21,26(19)25)10-11-29(24)16-17-8-9-17/h1-7,12,17,21,24,30H,8-11,13-16H2/t21-,24+,27-/m0/s1
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148n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


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


Bioorg Med Chem 20: 949-61 (2012)


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


(Cavia porcellus (domestic guinea pig))
BDBM50360141
PNG
(CHEMBL1929364)
Show SMILES CN1CC[C@]23Cc4nc5ccccc5cc4C[C@H]2[C@H]1Cc1cccc(O)c31 |r,THB:0:1:17:26.20.19|
Show InChI InChI=1S/C24H24N2O/c1-26-10-9-24-14-20-17(11-15-5-2-3-7-19(15)25-20)12-18(24)21(26)13-16-6-4-8-22(27)23(16)24/h2-8,11,18,21,27H,9-10,12-14H2,1H3/t18-,21+,24-/m0/s1
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263n/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 cerebrum membranes


Bioorg Med Chem 20: 949-61 (2012)


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


(Rattus norvegicus (rat))
BDBM50290872
PNG
((-)-rel-3-((4aR,12aS)-2-methyl-1,2,3,4,4a,5,12,12a...)
Show SMILES CN1CC[C@@]2(Cc3nc4ccccc4cc3C[C@H]2C1)c1cccc(O)c1 |r|
Show InChI InChI=1S/C23H24N2O/c1-25-10-9-23(18-6-4-7-20(26)13-18)14-22-17(12-19(23)15-25)11-16-5-2-3-8-21(16)24-22/h2-8,11,13,19,26H,9-10,12,14-15H2,1H3/t19-,23+/m0/s1
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284n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


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


Bioorg Med Chem 20: 949-61 (2012)


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


(Rattus norvegicus (rat))
BDBM50360140
PNG
(CHEMBL1929362)
Show SMILES CC(C)CN1CC[C@]23Cc4nc5ccccc5cc4C[C@H]2[C@H]1Cc1cccc(O)c31 |r,THB:3:4:20:29.23.22|
Show InChI InChI=1S/C27H30N2O/c1-17(2)16-29-11-10-27-15-23-20(12-18-6-3-4-8-22(18)28-23)13-21(27)24(29)14-19-7-5-9-25(30)26(19)27/h3-9,12,17,21,24,30H,10-11,13-16H2,1-2H3/t21-,24+,27-/m0/s1
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323n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


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


Bioorg Med Chem 20: 949-61 (2012)


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


(Cavia porcellus (domestic guinea pig))
BDBM50360140
PNG
(CHEMBL1929362)
Show SMILES CC(C)CN1CC[C@]23Cc4nc5ccccc5cc4C[C@H]2[C@H]1Cc1cccc(O)c31 |r,THB:3:4:20:29.23.22|
Show InChI InChI=1S/C27H30N2O/c1-17(2)16-29-11-10-27-15-23-20(12-18-6-3-4-8-22(18)28-23)13-21(27)24(29)14-19-7-5-9-25(30)26(19)27/h3-9,12,17,21,24,30H,10-11,13-16H2,1-2H3/t21-,24+,27-/m0/s1
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516n/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 cerebrum membranes


Bioorg Med Chem 20: 949-61 (2012)


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


(Cavia porcellus (domestic guinea pig))
BDBM50290872
PNG
((-)-rel-3-((4aR,12aS)-2-methyl-1,2,3,4,4a,5,12,12a...)
Show SMILES CN1CC[C@@]2(Cc3nc4ccccc4cc3C[C@H]2C1)c1cccc(O)c1 |r|
Show InChI InChI=1S/C23H24N2O/c1-25-10-9-23(18-6-4-7-20(26)13-18)14-22-17(12-19(23)15-25)11-16-5-2-3-8-21(16)24-22/h2-8,11,13,19,26H,9-10,12,14-15H2,1H3/t19-,23+/m0/s1
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733n/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 cerebrum membranes


Bioorg Med Chem 20: 949-61 (2012)


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


(Homo sapiens (Human))
BDBM50290872
PNG
((-)-rel-3-((4aR,12aS)-2-methyl-1,2,3,4,4a,5,12,12a...)
Show SMILES CN1CC[C@@]2(Cc3nc4ccccc4cc3C[C@H]2C1)c1cccc(O)c1 |r|
Show InChI InChI=1S/C23H24N2O/c1-25-10-9-23(18-6-4-7-20(26)13-18)14-22-17(12-19(23)15-25)11-16-5-2-3-8-21(16)24-22/h2-8,11,13,19,26H,9-10,12,14-15H2,1H3/t19-,23+/m0/s1
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n/an/an/an/a 0.700n/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant delta opioid receptor expressed in human HEK293 cells by [35S]GTPgammaS binding assay


Bioorg Med Chem 20: 949-61 (2012)


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


(Homo sapiens (Human))
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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n/an/an/an/a 0.0600n/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant delta opioid receptor expressed in human HEK293 cells by [35S]GTPgammaS binding assay


Bioorg Med Chem 20: 949-61 (2012)


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


(Homo sapiens (Human))
BDBM50360142
PNG
(CHEMBL1929365)
Show SMILES Oc1cccc2C[C@@H]3[C@@H]4Cc5cc6ccccc6nc5C[C@]4(CCN3CC3CC3)c12 |r,THB:25:24:8:29.5.6|
Show InChI InChI=1S/C27H28N2O/c30-25-7-3-5-19-14-24-21-13-20-12-18-4-1-2-6-22(18)28-23(20)15-27(21,26(19)25)10-11-29(24)16-17-8-9-17/h1-7,12,17,21,24,30H,8-11,13-16H2/t21-,24+,27-/m0/s1
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n/an/an/an/a 0.190n/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant delta opioid receptor expressed in human HEK293 cells by [35S]GTPgammaS binding assay


Bioorg Med Chem 20: 949-61 (2012)


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


(Homo sapiens (Human))
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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n/an/an/an/a 0.0180n/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant delta opioid receptor expressed in human HEK293 cells by [35S]GTPgammaS binding assay


Bioorg Med Chem 20: 949-61 (2012)


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


(Homo sapiens (Human))
BDBM50019056
PNG
((S)-2-[(S)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-pheny...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C27H35N5O7S/c1-40-12-11-21(27(38)39)32-26(37)22(14-17-5-3-2-4-6-17)31-24(35)16-29-23(34)15-30-25(36)20(28)13-18-7-9-19(33)10-8-18/h2-10,20-22,33H,11-16,28H2,1H3,(H,29,34)(H,30,36)(H,31,35)(H,32,37)(H,38,39)/t20-,21-,22-/m0/s1
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n/an/an/an/a 1n/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant delta opioid receptor expressed in human HEK293 cells by [35S]GTPgammaS binding assay


Bioorg Med Chem 20: 949-61 (2012)


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


(Homo sapiens (Human))
BDBM50360141
PNG
(CHEMBL1929364)
Show SMILES CN1CC[C@]23Cc4nc5ccccc5cc4C[C@H]2[C@H]1Cc1cccc(O)c31 |r,THB:0:1:17:26.20.19|
Show InChI InChI=1S/C24H24N2O/c1-26-10-9-24-14-20-17(11-15-5-2-3-7-19(15)25-20)12-18(24)21(26)13-16-6-4-8-22(27)23(16)24/h2-8,11,18,21,27H,9-10,12-14H2,1H3/t18-,21+,24-/m0/s1
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n/an/an/an/a 1.80n/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant delta opioid receptor expressed in human HEK293 cells by [35S]GTPgammaS binding assay


Bioorg Med Chem 20: 949-61 (2012)


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


(Homo sapiens (Human))
BDBM50360140
PNG
(CHEMBL1929362)
Show SMILES CC(C)CN1CC[C@]23Cc4nc5ccccc5cc4C[C@H]2[C@H]1Cc1cccc(O)c31 |r,THB:3:4:20:29.23.22|
Show InChI InChI=1S/C27H30N2O/c1-17(2)16-29-11-10-27-15-23-20(12-18-6-3-4-8-22(18)28-23)13-21(27)24(29)14-19-7-5-9-25(30)26(19)27/h3-9,12,17,21,24,30H,10-11,13-16H2,1-2H3/t21-,24+,27-/m0/s1
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n/an/an/an/a 2.30n/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant delta opioid receptor expressed in human HEK293 cells by [35S]GTPgammaS binding assay


Bioorg Med Chem 20: 949-61 (2012)


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


(Homo sapiens (Human))
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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n/an/an/an/a 0.0470n/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant delta opioid receptor expressed in human HEK293 cells by [35S]GTPgammaS binding assay


Bioorg Med Chem 20: 949-61 (2012)


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