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PubMed code 25248680

Compile data set for download or QSAR
Found 67 hits of Enzyme Inhibition Constant Data   
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-type opioid receptor


(MOUSE)
BDBM21015
PNG
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO
Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1
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0.830n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mouse whole brain MOR


Bioorg Med Chem Lett 24: 4895-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.012
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50001683
PNG
(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21+,23-,24-/m0/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]DPDPE from mouse whole brain DOR


Bioorg Med Chem Lett 24: 4895-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.012
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50381677
PNG
(CHEMBL1256748 | U-69593)
Show SMILES CN([C@H]1C[C@@]2(CCCO2)CC[C@@H]1N1CCCC1)C(=O)Cc1ccccc1 |r|
Show InChI InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)20-17-22(11-7-15-26-22)12-10-19(20)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22+/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]U-69593 from guinea pig cerebellum KOR


Bioorg Med Chem Lett 24: 4895-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.012
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50028063
PNG
(CHEMBL3338874)
Show SMILES [H][C@]12CO[C@]3([H])N1[C@@]([H])(O[C@@]3(C)c1ccccc1O)[C@](C)(O2)c1ccccc1O |r|
Show InChI InChI=1/C20H21NO5/c1-19(12-7-3-5-9-14(12)22)17-21-16(11-24-17)25-20(2,18(21)26-19)13-8-4-6-10-15(13)23/h3-10,16-18,22-23H,11H2,1-2H3/t16-,17-,18-,19-,20+/s2
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9.20n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from guinea pig cerebellum KOR


Bioorg Med Chem Lett 24: 4895-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.012
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50028063
PNG
(CHEMBL3338874)
Show SMILES [H][C@]12CO[C@]3([H])N1[C@@]([H])(O[C@@]3(C)c1ccccc1O)[C@](C)(O2)c1ccccc1O |r|
Show InChI InChI=1/C20H21NO5/c1-19(12-7-3-5-9-14(12)22)17-21-16(11-24-17)25-20(2,18(21)26-19)13-8-4-6-10-15(13)23/h3-10,16-18,22-23H,11H2,1-2H3/t16-,17-,18-,19-,20+/s2
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21n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mouse whole brain MOR


Bioorg Med Chem Lett 24: 4895-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.012
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50028063
PNG
(CHEMBL3338874)
Show SMILES [H][C@]12CO[C@]3([H])N1[C@@]([H])(O[C@@]3(C)c1ccccc1O)[C@](C)(O2)c1ccccc1O |r|
Show InChI InChI=1/C20H21NO5/c1-19(12-7-3-5-9-14(12)22)17-21-16(11-24-17)25-20(2,18(21)26-19)13-8-4-6-10-15(13)23/h3-10,16-18,22-23H,11H2,1-2H3/t16-,17-,18-,19-,20+/s2
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89n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from mouse whole brain DOR


Bioorg Med Chem Lett 24: 4895-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.012
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50028061
PNG
(CHEMBL3338873)
Show SMILES [H][C@]12CO[C@]3([H])N1[C@@]([H])(O[C@@]3(C)c1ccccc1O)[C@@](C)(O2)c1ccccc1O |r|
Show InChI InChI=1/C20H21NO5/c1-19(12-7-3-5-9-14(12)22)17-21-16(11-24-17)25-20(2,18(21)26-19)13-8-4-6-10-15(13)23/h3-10,16-18,22-23H,11H2,1-2H3/t16-,17-,18-,19-,20-/s2
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>1.00E+3n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from guinea pig cerebellum KOR


Bioorg Med Chem Lett 24: 4895-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.012
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50028061
PNG
(CHEMBL3338873)
Show SMILES [H][C@]12CO[C@]3([H])N1[C@@]([H])(O[C@@]3(C)c1ccccc1O)[C@@](C)(O2)c1ccccc1O |r|
Show InChI InChI=1/C20H21NO5/c1-19(12-7-3-5-9-14(12)22)17-21-16(11-24-17)25-20(2,18(21)26-19)13-8-4-6-10-15(13)23/h3-10,16-18,22-23H,11H2,1-2H3/t16-,17-,18-,19-,20-/s2
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>1.00E+3n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mouse whole brain MOR


Bioorg Med Chem Lett 24: 4895-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.012
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50028064
PNG
(CHEMBL3338875)
Show SMILES [H][C@]12CO[C@]3([H])N1[C@@]([H])(O[C@]3(C)c1ccccc1O)[C@@](C)(O2)c1ccccc1O |r|
Show InChI InChI=1/C20H21NO5/c1-19(12-7-3-5-9-14(12)22)17-21-16(11-24-17)25-20(2,18(21)26-19)13-8-4-6-10-15(13)23/h3-10,16-18,22-23H,11H2,1-2H3/t16-,17-,18-,19+,20-/s2
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>1.00E+3n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mouse whole brain MOR


Bioorg Med Chem Lett 24: 4895-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.012
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50028072
PNG
(CHEMBL3338879)
Show SMILES [H][C@]12CO[C@]3([H])N1[C@@]([H])(O[C@]3(C)c1ccc(O)cc1)[C@@](C)(O2)c1ccc(O)cc1 |r|
Show InChI InChI=1/C20H21NO5/c1-19(12-3-7-14(22)8-4-12)17-21-16(11-24-17)25-20(2,18(21)26-19)13-5-9-15(23)10-6-13/h3-10,16-18,22-23H,11H2,1-2H3/t16-,17-,18-,19+,20-/s2
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>1.00E+3n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mouse whole brain MOR


Bioorg Med Chem Lett 24: 4895-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.012
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50028060
PNG
(CHEMBL3338872)
Show SMILES [H][C@]12O[C@](C)(c3ccc(O)cc3)[C@]3([H])O[C@@](C)(c4ccc(O)cc4)[C@]([H])(O[C@]1(C)c1ccc(O)cc1)N23 |r|
Show InChI InChI=1/C27H27NO6/c1-25(16-4-10-19(29)11-5-16)22-28-23(32-25)26(2,17-6-12-20(30)13-7-17)34-24(28)27(3,33-22)18-8-14-21(31)15-9-18/h4-15,22-24,29-31H,1-3H3/t22-,23-,24-,25-,26+,27+/s2
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>1.00E+3n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from mouse whole brain DOR


Bioorg Med Chem Lett 24: 4895-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.012
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50028087
PNG
(CHEMBL3338884)
Show SMILES [H][C@]12CO[C@]3([H])N1[C@]([H])(CO2)O[C@]3(C)c1ccc(O)cc1 |r|
Show InChI InChI=1/C13H15NO4/c1-13(8-2-4-9(15)5-3-8)12-14-10(6-17-12)16-7-11(14)18-13/h2-5,10-12,15H,6-7H2,1H3/t10-,11-,12-,13+/s2
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>1.00E+3n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from mouse whole brain DOR


Bioorg Med Chem Lett 24: 4895-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.012
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50028079
PNG
(CHEMBL3338867)
Show SMILES [H][C@]12O[C@@](C)(c3ccccc3O)[C@]3([H])O[C@@](C)(c4ccccc4O)[C@]([H])(O[C@@]1(C)c1ccccc1O)N23 |r|
Show InChI InChI=1/C27H27NO6/c1-25(16-10-4-7-13-19(16)29)22-28-23(32-25)26(2,17-11-5-8-14-20(17)30)34-24(28)27(3,33-22)18-12-6-9-15-21(18)31/h4-15,22-24,29-31H,1-3H3/t22-,23-,24-,25-,26-,27-/s2
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>1.00E+3n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from guinea pig cerebellum KOR


Bioorg Med Chem Lett 24: 4895-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.012
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50028085
PNG
(CHEMBL3338871)
Show SMILES [H][C@]12O[C@@](C)(c3ccc(O)cc3)[C@]3([H])O[C@@](C)(c4ccc(O)cc4)[C@]([H])(O[C@]1(C)c1ccc(O)cc1)N23 |r|
Show InChI InChI=1/C27H27NO6/c1-25(16-4-10-19(29)11-5-16)22-28-23(32-25)26(2,17-6-12-20(30)13-7-17)34-24(28)27(3,33-22)18-8-14-21(31)15-9-18/h4-15,22-24,29-31H,1-3H3/t22-,23-,24-,25-,26-,27+/s2
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>1.00E+3n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from guinea pig cerebellum KOR


Bioorg Med Chem Lett 24: 4895-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.012
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50028064
PNG
(CHEMBL3338875)
Show SMILES [H][C@]12CO[C@]3([H])N1[C@@]([H])(O[C@]3(C)c1ccccc1O)[C@@](C)(O2)c1ccccc1O |r|
Show InChI InChI=1/C20H21NO5/c1-19(12-7-3-5-9-14(12)22)17-21-16(11-24-17)25-20(2,18(21)26-19)13-8-4-6-10-15(13)23/h3-10,16-18,22-23H,11H2,1-2H3/t16-,17-,18-,19+,20-/s2
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>1.00E+3n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from guinea pig cerebellum KOR


Bioorg Med Chem Lett 24: 4895-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.012
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50028071
PNG
(CHEMBL3338878)
Show SMILES [H][C@]12CO[C@]3([H])N1[C@@]([H])(O[C@@]3(C)c1ccc(O)cc1)[C@](C)(O2)c1ccc(O)cc1 |r|
Show InChI InChI=1/C20H21NO5/c1-19(12-3-7-14(22)8-4-12)17-21-16(11-24-17)25-20(2,18(21)26-19)13-5-9-15(23)10-6-13/h3-10,16-18,22-23H,11H2,1-2H3/t16-,17-,18-,19-,20+/s2
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>1.00E+3n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from guinea pig cerebellum KOR


Bioorg Med Chem Lett 24: 4895-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.012
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50028071
PNG
(CHEMBL3338878)
Show SMILES [H][C@]12CO[C@]3([H])N1[C@@]([H])(O[C@@]3(C)c1ccc(O)cc1)[C@](C)(O2)c1ccc(O)cc1 |r|
Show InChI InChI=1/C20H21NO5/c1-19(12-3-7-14(22)8-4-12)17-21-16(11-24-17)25-20(2,18(21)26-19)13-5-9-15(23)10-6-13/h3-10,16-18,22-23H,11H2,1-2H3/t16-,17-,18-,19-,20+/s2
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>1.00E+3n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mouse whole brain MOR


Bioorg Med Chem Lett 24: 4895-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.012
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50028078
PNG
(CHEMBL3338882)
Show SMILES [H][C@]12CO[C@]3([H])N1[C@]([H])(CO2)O[C@]3(C)c1ccccc1O |r|
Show InChI InChI=1/C13H15NO4/c1-13(8-4-2-3-5-9(8)15)12-14-10(6-17-12)16-7-11(14)18-13/h2-5,10-12,15H,6-7H2,1H3/t10-,11-,12-,13+/s2
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>1.00E+3n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mouse whole brain MOR


Bioorg Med Chem Lett 24: 4895-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.012
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50028081
PNG
(CHEMBL3338868)
Show SMILES [H][C@]12O[C@@](C)(c3ccccc3O)[C@]3([H])O[C@@](C)(c4ccccc4O)[C@]([H])(O[C@]1(C)c1ccccc1O)N23 |r|
Show InChI InChI=1/C27H27NO6/c1-25(16-10-4-7-13-19(16)29)22-28-23(32-25)26(2,17-11-5-8-14-20(17)30)34-24(28)27(3,33-22)18-12-6-9-15-21(18)31/h4-15,22-24,29-31H,1-3H3/t22-,23-,24-,25-,26-,27+/s2
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>1.00E+3n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from mouse whole brain DOR


Bioorg Med Chem Lett 24: 4895-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.012
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50028064
PNG
(CHEMBL3338875)
Show SMILES [H][C@]12CO[C@]3([H])N1[C@@]([H])(O[C@]3(C)c1ccccc1O)[C@@](C)(O2)c1ccccc1O |r|
Show InChI InChI=1/C20H21NO5/c1-19(12-7-3-5-9-14(12)22)17-21-16(11-24-17)25-20(2,18(21)26-19)13-8-4-6-10-15(13)23/h3-10,16-18,22-23H,11H2,1-2H3/t16-,17-,18-,19+,20-/s2
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>1.00E+3n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from mouse whole brain DOR


Bioorg Med Chem Lett 24: 4895-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.012
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50028072
PNG
(CHEMBL3338879)
Show SMILES [H][C@]12CO[C@]3([H])N1[C@@]([H])(O[C@]3(C)c1ccc(O)cc1)[C@@](C)(O2)c1ccc(O)cc1 |r|
Show InChI InChI=1/C20H21NO5/c1-19(12-3-7-14(22)8-4-12)17-21-16(11-24-17)25-20(2,18(21)26-19)13-5-9-15(23)10-6-13/h3-10,16-18,22-23H,11H2,1-2H3/t16-,17-,18-,19+,20-/s2
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Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from mouse whole brain DOR


Bioorg Med Chem Lett 24: 4895-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.012
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50028069
PNG
(CHEMBL3338877)
Show SMILES [H][C@]12CO[C@]3([H])N1[C@@]([H])(O[C@@]3(C)c1ccc(O)cc1)[C@@](C)(O2)c1ccc(O)cc1 |r|
Show InChI InChI=1/C20H21NO5/c1-19(12-3-7-14(22)8-4-12)17-21-16(11-24-17)25-20(2,18(21)26-19)13-5-9-15(23)10-6-13/h3-10,16-18,22-23H,11H2,1-2H3/t16-,17-,18-,19-,20-/s2
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>1.00E+3n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from guinea pig cerebellum KOR


Bioorg Med Chem Lett 24: 4895-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.012
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50028072
PNG
(CHEMBL3338879)
Show SMILES [H][C@]12CO[C@]3([H])N1[C@@]([H])(O[C@]3(C)c1ccc(O)cc1)[C@@](C)(O2)c1ccc(O)cc1 |r|
Show InChI InChI=1/C20H21NO5/c1-19(12-3-7-14(22)8-4-12)17-21-16(11-24-17)25-20(2,18(21)26-19)13-5-9-15(23)10-6-13/h3-10,16-18,22-23H,11H2,1-2H3/t16-,17-,18-,19+,20-/s2
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>1.00E+3n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from guinea pig cerebellum KOR


Bioorg Med Chem Lett 24: 4895-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.012
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50028073
PNG
(CHEMBL3338880)
Show SMILES [H][C@]12CO[C@]3([H])N1[C@@]([H])(O[C@]3(C)c1ccc(O)cc1)[C@](C)(O2)c1ccc(O)cc1 |r|
Show InChI InChI=1/C20H21NO5/c1-19(12-3-7-14(22)8-4-12)17-21-16(11-24-17)25-20(2,18(21)26-19)13-5-9-15(23)10-6-13/h3-10,16-18,22-23H,11H2,1-2H3/t16-,17-,18-,19+,20+/s2
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>1.00E+3n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from guinea pig cerebellum KOR


Bioorg Med Chem Lett 24: 4895-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.012
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50028079
PNG
(CHEMBL3338867)
Show SMILES [H][C@]12O[C@@](C)(c3ccccc3O)[C@]3([H])O[C@@](C)(c4ccccc4O)[C@]([H])(O[C@@]1(C)c1ccccc1O)N23 |r|
Show InChI InChI=1/C27H27NO6/c1-25(16-10-4-7-13-19(16)29)22-28-23(32-25)26(2,17-11-5-8-14-20(17)30)34-24(28)27(3,33-22)18-12-6-9-15-21(18)31/h4-15,22-24,29-31H,1-3H3/t22-,23-,24-,25-,26-,27-/s2
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Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from mouse whole brain DOR


Bioorg Med Chem Lett 24: 4895-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.012
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50381677
PNG
(CHEMBL1256748 | U-69593)
Show SMILES CN([C@H]1C[C@@]2(CCCO2)CC[C@@H]1N1CCCC1)C(=O)Cc1ccccc1 |r|
Show InChI InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)20-17-22(11-7-15-26-22)12-10-19(20)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22+/m0/s1
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Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mouse whole brain MOR


Bioorg Med Chem Lett 24: 4895-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.012
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50028077
PNG
(CHEMBL3338881)
Show SMILES [H][C@]12CO[C@]3([H])N1[C@]([H])(CO2)O[C@@]3(C)c1ccccc1O |r|
Show InChI InChI=1/C13H15NO4/c1-13(8-4-2-3-5-9(8)15)12-14-10(6-17-12)16-7-11(14)18-13/h2-5,10-12,15H,6-7H2,1H3/t10-,11-,12-,13-/s2
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>1.00E+3n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mouse whole brain MOR


Bioorg Med Chem Lett 24: 4895-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.012
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50028087
PNG
(CHEMBL3338884)
Show SMILES [H][C@]12CO[C@]3([H])N1[C@]([H])(CO2)O[C@]3(C)c1ccc(O)cc1 |r|
Show InChI InChI=1/C13H15NO4/c1-13(8-2-4-9(15)5-3-8)12-14-10(6-17-12)16-7-11(14)18-13/h2-5,10-12,15H,6-7H2,1H3/t10-,11-,12-,13+/s2
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Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mouse whole brain MOR


Bioorg Med Chem Lett 24: 4895-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.012
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50028085
PNG
(CHEMBL3338871)
Show SMILES [H][C@]12O[C@@](C)(c3ccc(O)cc3)[C@]3([H])O[C@@](C)(c4ccc(O)cc4)[C@]([H])(O[C@]1(C)c1ccc(O)cc1)N23 |r|
Show InChI InChI=1/C27H27NO6/c1-25(16-4-10-19(29)11-5-16)22-28-23(32-25)26(2,17-6-12-20(30)13-7-17)34-24(28)27(3,33-22)18-8-14-21(31)15-9-18/h4-15,22-24,29-31H,1-3H3/t22-,23-,24-,25-,26-,27+/s2
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>1.00E+3n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from mouse whole brain DOR


Bioorg Med Chem Lett 24: 4895-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.012
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50028061
PNG
(CHEMBL3338873)
Show SMILES [H][C@]12CO[C@]3([H])N1[C@@]([H])(O[C@@]3(C)c1ccccc1O)[C@@](C)(O2)c1ccccc1O |r|
Show InChI InChI=1/C20H21NO5/c1-19(12-7-3-5-9-14(12)22)17-21-16(11-24-17)25-20(2,18(21)26-19)13-8-4-6-10-15(13)23/h3-10,16-18,22-23H,11H2,1-2H3/t16-,17-,18-,19-,20-/s2
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Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from mouse whole brain DOR


Bioorg Med Chem Lett 24: 4895-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.012
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50028086
PNG
(CHEMBL3338883)
Show SMILES [H][C@]12CO[C@]3([H])N1[C@]([H])(CO2)O[C@@]3(C)c1ccc(O)cc1 |r|
Show InChI InChI=1/C13H15NO4/c1-13(8-2-4-9(15)5-3-8)12-14-10(6-17-12)16-7-11(14)18-13/h2-5,10-12,15H,6-7H2,1H3/t10-,11-,12-,13-/s2
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>1.00E+3n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from guinea pig cerebellum KOR


Bioorg Med Chem Lett 24: 4895-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.012
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50028079
PNG
(CHEMBL3338867)
Show SMILES [H][C@]12O[C@@](C)(c3ccccc3O)[C@]3([H])O[C@@](C)(c4ccccc4O)[C@]([H])(O[C@@]1(C)c1ccccc1O)N23 |r|
Show InChI InChI=1/C27H27NO6/c1-25(16-10-4-7-13-19(16)29)22-28-23(32-25)26(2,17-11-5-8-14-20(17)30)34-24(28)27(3,33-22)18-12-6-9-15-21(18)31/h4-15,22-24,29-31H,1-3H3/t22-,23-,24-,25-,26-,27-/s2
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Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mouse whole brain MOR


Bioorg Med Chem Lett 24: 4895-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.012
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50028085
PNG
(CHEMBL3338871)
Show SMILES [H][C@]12O[C@@](C)(c3ccc(O)cc3)[C@]3([H])O[C@@](C)(c4ccc(O)cc4)[C@]([H])(O[C@]1(C)c1ccc(O)cc1)N23 |r|
Show InChI InChI=1/C27H27NO6/c1-25(16-4-10-19(29)11-5-16)22-28-23(32-25)26(2,17-6-12-20(30)13-7-17)34-24(28)27(3,33-22)18-8-14-21(31)15-9-18/h4-15,22-24,29-31H,1-3H3/t22-,23-,24-,25-,26-,27+/s2
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>1.00E+3n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mouse whole brain MOR


Bioorg Med Chem Lett 24: 4895-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.012
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50028060
PNG
(CHEMBL3338872)
Show SMILES [H][C@]12O[C@](C)(c3ccc(O)cc3)[C@]3([H])O[C@@](C)(c4ccc(O)cc4)[C@]([H])(O[C@]1(C)c1ccc(O)cc1)N23 |r|
Show InChI InChI=1/C27H27NO6/c1-25(16-4-10-19(29)11-5-16)22-28-23(32-25)26(2,17-6-12-20(30)13-7-17)34-24(28)27(3,33-22)18-8-14-21(31)15-9-18/h4-15,22-24,29-31H,1-3H3/t22-,23-,24-,25-,26+,27+/s2
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Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mouse whole brain MOR


Bioorg Med Chem Lett 24: 4895-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.012
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50028065
PNG
(CHEMBL3338876)
Show SMILES [H][C@]12CO[C@]3([H])N1[C@@]([H])(O[C@]3(C)c1ccccc1O)[C@](C)(O2)c1ccccc1O |r|
Show InChI InChI=1/C20H21NO5/c1-19(12-7-3-5-9-14(12)22)17-21-16(11-24-17)25-20(2,18(21)26-19)13-8-4-6-10-15(13)23/h3-10,16-18,22-23H,11H2,1-2H3/t16-,17-,18-,19+,20+/s2
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Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mouse whole brain MOR


Bioorg Med Chem Lett 24: 4895-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.012
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50028086
PNG
(CHEMBL3338883)
Show SMILES [H][C@]12CO[C@]3([H])N1[C@]([H])(CO2)O[C@@]3(C)c1ccc(O)cc1 |r|
Show InChI InChI=1/C13H15NO4/c1-13(8-2-4-9(15)5-3-8)12-14-10(6-17-12)16-7-11(14)18-13/h2-5,10-12,15H,6-7H2,1H3/t10-,11-,12-,13-/s2
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>1.00E+3n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mouse whole brain MOR


Bioorg Med Chem Lett 24: 4895-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.012
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50028065
PNG
(CHEMBL3338876)
Show SMILES [H][C@]12CO[C@]3([H])N1[C@@]([H])(O[C@]3(C)c1ccccc1O)[C@](C)(O2)c1ccccc1O |r|
Show InChI InChI=1/C20H21NO5/c1-19(12-7-3-5-9-14(12)22)17-21-16(11-24-17)25-20(2,18(21)26-19)13-8-4-6-10-15(13)23/h3-10,16-18,22-23H,11H2,1-2H3/t16-,17-,18-,19+,20+/s2
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>1.00E+3n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from mouse whole brain DOR


Bioorg Med Chem Lett 24: 4895-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.012
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50028073
PNG
(CHEMBL3338880)
Show SMILES [H][C@]12CO[C@]3([H])N1[C@@]([H])(O[C@]3(C)c1ccc(O)cc1)[C@](C)(O2)c1ccc(O)cc1 |r|
Show InChI InChI=1/C20H21NO5/c1-19(12-3-7-14(22)8-4-12)17-21-16(11-24-17)25-20(2,18(21)26-19)13-5-9-15(23)10-6-13/h3-10,16-18,22-23H,11H2,1-2H3/t16-,17-,18-,19+,20+/s2
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Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from mouse whole brain DOR


Bioorg Med Chem Lett 24: 4895-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.012
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50028086
PNG
(CHEMBL3338883)
Show SMILES [H][C@]12CO[C@]3([H])N1[C@]([H])(CO2)O[C@@]3(C)c1ccc(O)cc1 |r|
Show InChI InChI=1/C13H15NO4/c1-13(8-2-4-9(15)5-3-8)12-14-10(6-17-12)16-7-11(14)18-13/h2-5,10-12,15H,6-7H2,1H3/t10-,11-,12-,13-/s2
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>1.00E+3n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from mouse whole brain DOR


Bioorg Med Chem Lett 24: 4895-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.012
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50028081
PNG
(CHEMBL3338868)
Show SMILES [H][C@]12O[C@@](C)(c3ccccc3O)[C@]3([H])O[C@@](C)(c4ccccc4O)[C@]([H])(O[C@]1(C)c1ccccc1O)N23 |r|
Show InChI InChI=1/C27H27NO6/c1-25(16-10-4-7-13-19(16)29)22-28-23(32-25)26(2,17-11-5-8-14-20(17)30)34-24(28)27(3,33-22)18-12-6-9-15-21(18)31/h4-15,22-24,29-31H,1-3H3/t22-,23-,24-,25-,26-,27+/s2
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>1.00E+3n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from guinea pig cerebellum KOR


Bioorg Med Chem Lett 24: 4895-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.012
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50028087
PNG
(CHEMBL3338884)
Show SMILES [H][C@]12CO[C@]3([H])N1[C@]([H])(CO2)O[C@]3(C)c1ccc(O)cc1 |r|
Show InChI InChI=1/C13H15NO4/c1-13(8-2-4-9(15)5-3-8)12-14-10(6-17-12)16-7-11(14)18-13/h2-5,10-12,15H,6-7H2,1H3/t10-,11-,12-,13+/s2
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>1.00E+3n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from guinea pig cerebellum KOR


Bioorg Med Chem Lett 24: 4895-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.012
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50028069
PNG
(CHEMBL3338877)
Show SMILES [H][C@]12CO[C@]3([H])N1[C@@]([H])(O[C@@]3(C)c1ccc(O)cc1)[C@@](C)(O2)c1ccc(O)cc1 |r|
Show InChI InChI=1/C20H21NO5/c1-19(12-3-7-14(22)8-4-12)17-21-16(11-24-17)25-20(2,18(21)26-19)13-5-9-15(23)10-6-13/h3-10,16-18,22-23H,11H2,1-2H3/t16-,17-,18-,19-,20-/s2
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Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from mouse whole brain DOR


Bioorg Med Chem Lett 24: 4895-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.012
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50028077
PNG
(CHEMBL3338881)
Show SMILES [H][C@]12CO[C@]3([H])N1[C@]([H])(CO2)O[C@@]3(C)c1ccccc1O |r|
Show InChI InChI=1/C13H15NO4/c1-13(8-4-2-3-5-9(8)15)12-14-10(6-17-12)16-7-11(14)18-13/h2-5,10-12,15H,6-7H2,1H3/t10-,11-,12-,13-/s2
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>1.00E+3n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from guinea pig cerebellum KOR


Bioorg Med Chem Lett 24: 4895-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.012
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50028078
PNG
(CHEMBL3338882)
Show SMILES [H][C@]12CO[C@]3([H])N1[C@]([H])(CO2)O[C@]3(C)c1ccccc1O |r|
Show InChI InChI=1/C13H15NO4/c1-13(8-4-2-3-5-9(8)15)12-14-10(6-17-12)16-7-11(14)18-13/h2-5,10-12,15H,6-7H2,1H3/t10-,11-,12-,13+/s2
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>1.00E+3n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from guinea pig cerebellum KOR


Bioorg Med Chem Lett 24: 4895-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.012
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50028082
PNG
(CHEMBL3338869)
Show SMILES [H][C@]12O[C@](C)(c3ccccc3O)[C@]3([H])O[C@@](C)(c4ccccc4O)[C@]([H])(O[C@]1(C)c1ccccc1O)N23 |r|
Show InChI InChI=1/C27H27NO6/c1-25(16-10-4-7-13-19(16)29)22-28-23(32-25)26(2,17-11-5-8-14-20(17)30)34-24(28)27(3,33-22)18-12-6-9-15-21(18)31/h4-15,22-24,29-31H,1-3H3/t22-,23-,24-,25-,26+,27+/s2
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>1.00E+3n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mouse whole brain MOR


Bioorg Med Chem Lett 24: 4895-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.012
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50381677
PNG
(CHEMBL1256748 | U-69593)
Show SMILES CN([C@H]1C[C@@]2(CCCO2)CC[C@@H]1N1CCCC1)C(=O)Cc1ccccc1 |r|
Show InChI InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)20-17-22(11-7-15-26-22)12-10-19(20)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22+/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from mouse whole brain DOR


Bioorg Med Chem Lett 24: 4895-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.012
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50028082
PNG
(CHEMBL3338869)
Show SMILES [H][C@]12O[C@](C)(c3ccccc3O)[C@]3([H])O[C@@](C)(c4ccccc4O)[C@]([H])(O[C@]1(C)c1ccccc1O)N23 |r|
Show InChI InChI=1/C27H27NO6/c1-25(16-10-4-7-13-19(16)29)22-28-23(32-25)26(2,17-11-5-8-14-20(17)30)34-24(28)27(3,33-22)18-12-6-9-15-21(18)31/h4-15,22-24,29-31H,1-3H3/t22-,23-,24-,25-,26+,27+/s2
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>1.00E+3n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from mouse whole brain DOR


Bioorg Med Chem Lett 24: 4895-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.012
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50028071
PNG
(CHEMBL3338878)
Show SMILES [H][C@]12CO[C@]3([H])N1[C@@]([H])(O[C@@]3(C)c1ccc(O)cc1)[C@](C)(O2)c1ccc(O)cc1 |r|
Show InChI InChI=1/C20H21NO5/c1-19(12-3-7-14(22)8-4-12)17-21-16(11-24-17)25-20(2,18(21)26-19)13-5-9-15(23)10-6-13/h3-10,16-18,22-23H,11H2,1-2H3/t16-,17-,18-,19-,20+/s2
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Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from mouse whole brain DOR


Bioorg Med Chem Lett 24: 4895-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.012
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50028077
PNG
(CHEMBL3338881)
Show SMILES [H][C@]12CO[C@]3([H])N1[C@]([H])(CO2)O[C@@]3(C)c1ccccc1O |r|
Show InChI InChI=1/C13H15NO4/c1-13(8-4-2-3-5-9(8)15)12-14-10(6-17-12)16-7-11(14)18-13/h2-5,10-12,15H,6-7H2,1H3/t10-,11-,12-,13-/s2
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>1.00E+3n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from mouse whole brain DOR


Bioorg Med Chem Lett 24: 4895-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.012
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50028060
PNG
(CHEMBL3338872)
Show SMILES [H][C@]12O[C@](C)(c3ccc(O)cc3)[C@]3([H])O[C@@](C)(c4ccc(O)cc4)[C@]([H])(O[C@]1(C)c1ccc(O)cc1)N23 |r|
Show InChI InChI=1/C27H27NO6/c1-25(16-4-10-19(29)11-5-16)22-28-23(32-25)26(2,17-6-12-20(30)13-7-17)34-24(28)27(3,33-22)18-8-14-21(31)15-9-18/h4-15,22-24,29-31H,1-3H3/t22-,23-,24-,25-,26+,27+/s2
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>1.00E+3n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from guinea pig cerebellum KOR


Bioorg Med Chem Lett 24: 4895-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.012
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50028065
PNG
(CHEMBL3338876)
Show SMILES [H][C@]12CO[C@]3([H])N1[C@@]([H])(O[C@]3(C)c1ccccc1O)[C@](C)(O2)c1ccccc1O |r|
Show InChI InChI=1/C20H21NO5/c1-19(12-7-3-5-9-14(12)22)17-21-16(11-24-17)25-20(2,18(21)26-19)13-8-4-6-10-15(13)23/h3-10,16-18,22-23H,11H2,1-2H3/t16-,17-,18-,19+,20+/s2
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>1.00E+3n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from guinea pig cerebellum KOR


Bioorg Med Chem Lett 24: 4895-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.012
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50028081
PNG
(CHEMBL3338868)
Show SMILES [H][C@]12O[C@@](C)(c3ccccc3O)[C@]3([H])O[C@@](C)(c4ccccc4O)[C@]([H])(O[C@]1(C)c1ccccc1O)N23 |r|
Show InChI InChI=1/C27H27NO6/c1-25(16-10-4-7-13-19(16)29)22-28-23(32-25)26(2,17-11-5-8-14-20(17)30)34-24(28)27(3,33-22)18-12-6-9-15-21(18)31/h4-15,22-24,29-31H,1-3H3/t22-,23-,24-,25-,26-,27+/s2
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>1.00E+3n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mouse whole brain MOR


Bioorg Med Chem Lett 24: 4895-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.012
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50028084
PNG
(CHEMBL3338870)
Show SMILES [H][C@]12O[C@@](C)(c3ccc(O)cc3)[C@]3([H])O[C@@](C)(c4ccc(O)cc4)[C@]([H])(O[C@@]1(C)c1ccc(O)cc1)N23 |r|
Show InChI InChI=1/C27H27NO6/c1-25(16-4-10-19(29)11-5-16)22-28-23(32-25)26(2,17-6-12-20(30)13-7-17)34-24(28)27(3,33-22)18-8-14-21(31)15-9-18/h4-15,22-24,29-31H,1-3H3/t22-,23-,24-,25-,26-,27-/s2
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>1.00E+3n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mouse whole brain MOR


Bioorg Med Chem Lett 24: 4895-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.012
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50028069
PNG
(CHEMBL3338877)
Show SMILES [H][C@]12CO[C@]3([H])N1[C@@]([H])(O[C@@]3(C)c1ccc(O)cc1)[C@@](C)(O2)c1ccc(O)cc1 |r|
Show InChI InChI=1/C20H21NO5/c1-19(12-3-7-14(22)8-4-12)17-21-16(11-24-17)25-20(2,18(21)26-19)13-5-9-15(23)10-6-13/h3-10,16-18,22-23H,11H2,1-2H3/t16-,17-,18-,19-,20-/s2
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>1.00E+3n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mouse whole brain MOR


Bioorg Med Chem Lett 24: 4895-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.012
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50028073
PNG
(CHEMBL3338880)
Show SMILES [H][C@]12CO[C@]3([H])N1[C@@]([H])(O[C@]3(C)c1ccc(O)cc1)[C@](C)(O2)c1ccc(O)cc1 |r|
Show InChI InChI=1/C20H21NO5/c1-19(12-3-7-14(22)8-4-12)17-21-16(11-24-17)25-20(2,18(21)26-19)13-5-9-15(23)10-6-13/h3-10,16-18,22-23H,11H2,1-2H3/t16-,17-,18-,19+,20+/s2
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>1.00E+3n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mouse whole brain MOR


Bioorg Med Chem Lett 24: 4895-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.012
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50028084
PNG
(CHEMBL3338870)
Show SMILES [H][C@]12O[C@@](C)(c3ccc(O)cc3)[C@]3([H])O[C@@](C)(c4ccc(O)cc4)[C@]([H])(O[C@@]1(C)c1ccc(O)cc1)N23 |r|
Show InChI InChI=1/C27H27NO6/c1-25(16-4-10-19(29)11-5-16)22-28-23(32-25)26(2,17-6-12-20(30)13-7-17)34-24(28)27(3,33-22)18-8-14-21(31)15-9-18/h4-15,22-24,29-31H,1-3H3/t22-,23-,24-,25-,26-,27-/s2
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>1.00E+3n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from mouse whole brain DOR


Bioorg Med Chem Lett 24: 4895-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.012
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50028078
PNG
(CHEMBL3338882)
Show SMILES [H][C@]12CO[C@]3([H])N1[C@]([H])(CO2)O[C@]3(C)c1ccccc1O |r|
Show InChI InChI=1/C13H15NO4/c1-13(8-4-2-3-5-9(8)15)12-14-10(6-17-12)16-7-11(14)18-13/h2-5,10-12,15H,6-7H2,1H3/t10-,11-,12-,13+/s2
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>1.00E+3n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from mouse whole brain DOR


Bioorg Med Chem Lett 24: 4895-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.012
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50028082
PNG
(CHEMBL3338869)
Show SMILES [H][C@]12O[C@](C)(c3ccccc3O)[C@]3([H])O[C@@](C)(c4ccccc4O)[C@]([H])(O[C@]1(C)c1ccccc1O)N23 |r|
Show InChI InChI=1/C27H27NO6/c1-25(16-10-4-7-13-19(16)29)22-28-23(32-25)26(2,17-11-5-8-14-20(17)30)34-24(28)27(3,33-22)18-12-6-9-15-21(18)31/h4-15,22-24,29-31H,1-3H3/t22-,23-,24-,25-,26+,27+/s2
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>1.00E+3n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from guinea pig cerebellum KOR


Bioorg Med Chem Lett 24: 4895-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.012
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50028084
PNG
(CHEMBL3338870)
Show SMILES [H][C@]12O[C@@](C)(c3ccc(O)cc3)[C@]3([H])O[C@@](C)(c4ccc(O)cc4)[C@]([H])(O[C@@]1(C)c1ccc(O)cc1)N23 |r|
Show InChI InChI=1/C27H27NO6/c1-25(16-4-10-19(29)11-5-16)22-28-23(32-25)26(2,17-6-12-20(30)13-7-17)34-24(28)27(3,33-22)18-8-14-21(31)15-9-18/h4-15,22-24,29-31H,1-3H3/t22-,23-,24-,25-,26-,27-/s2
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>1.00E+3n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from guinea pig cerebellum KOR


Bioorg Med Chem Lett 24: 4895-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.012
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM21015
PNG
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO
Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1
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n/an/an/an/a 7.60n/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Agonist activity at human MOR expressed in CHO cells by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 24: 4895-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.012
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50159165
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-9-(acetyloxy)-2-(fura...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
Show InChI InChI=1S/C23H28O8/c1-12(24)30-16-9-15(20(26)28-4)22(2)7-5-14-21(27)31-17(13-6-8-29-11-13)10-23(14,3)19(22)18(16)25/h6,8,11,14-17,19H,5,7,9-10H2,1-4H3/t14-,15-,16-,17-,19-,22-,23-/m0/s1
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n/an/an/an/a 40n/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Agonist activity at KOR (unknown origin)


Bioorg Med Chem Lett 24: 4895-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.012
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50028063
PNG
(CHEMBL3338874)
Show SMILES [H][C@]12CO[C@]3([H])N1[C@@]([H])(O[C@@]3(C)c1ccccc1O)[C@](C)(O2)c1ccccc1O |r|
Show InChI InChI=1/C20H21NO5/c1-19(12-7-3-5-9-14(12)22)17-21-16(11-24-17)25-20(2,18(21)26-19)13-8-4-6-10-15(13)23/h3-10,16-18,22-23H,11H2,1-2H3/t16-,17-,18-,19-,20+/s2
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n/an/an/an/a 10n/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Agonist activity at human KOR expressed in CHO cells by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 24: 4895-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.012
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50381677
PNG
(CHEMBL1256748 | U-69593)
Show SMILES CN([C@H]1C[C@@]2(CCCO2)CC[C@@H]1N1CCCC1)C(=O)Cc1ccccc1 |r|
Show InChI InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)20-17-22(11-7-15-26-22)12-10-19(20)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22+/m0/s1
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n/an/an/an/a 8n/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Agonist activity at human KOR expressed in CHO cells by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 24: 4895-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.012
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50170678
PNG
((3S,4aR,4bS,6S,8R,8aR,10aR)-6-Benzoyloxy-3-furan-3...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(=O)c2ccccc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
Show InChI InChI=1S/C28H30O8/c1-27-11-9-18-26(32)36-21(17-10-12-34-15-17)14-28(18,2)23(27)22(29)20(13-19(27)25(31)33-3)35-24(30)16-7-5-4-6-8-16/h4-8,10,12,15,18-21,23H,9,11,13-14H2,1-3H3/t18-,19-,20-,21-,23-,27-,28-/m0/s1
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n/an/an/an/a 500n/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Agonist activity at MOR (unknown origin)


Bioorg Med Chem Lett 24: 4895-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.012
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50028063
PNG
(CHEMBL3338874)
Show SMILES [H][C@]12CO[C@]3([H])N1[C@@]([H])(O[C@@]3(C)c1ccccc1O)[C@](C)(O2)c1ccccc1O |r|
Show InChI InChI=1/C20H21NO5/c1-19(12-7-3-5-9-14(12)22)17-21-16(11-24-17)25-20(2,18(21)26-19)13-8-4-6-10-15(13)23/h3-10,16-18,22-23H,11H2,1-2H3/t16-,17-,18-,19-,20+/s2
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n/an/an/an/a 58n/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Agonist activity at human MOR expressed in CHO cells by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 24: 4895-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.012
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50028063
PNG
(CHEMBL3338874)
Show SMILES [H][C@]12CO[C@]3([H])N1[C@@]([H])(O[C@@]3(C)c1ccccc1O)[C@](C)(O2)c1ccccc1O |r|
Show InChI InChI=1/C20H21NO5/c1-19(12-7-3-5-9-14(12)22)17-21-16(11-24-17)25-20(2,18(21)26-19)13-8-4-6-10-15(13)23/h3-10,16-18,22-23H,11H2,1-2H3/t16-,17-,18-,19-,20+/s2
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n/an/an/an/a 53n/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Agonist activity at human DOR expressed in CHO cells by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 24: 4895-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.012
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50001683
PNG
(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21+,23-,24-/m0/s1
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n/an/an/an/a 9.30n/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Agonist activity at human DOR expressed in CHO cells by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 24: 4895-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.012
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%