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PubMed code 23200250

Compile data set for download or QSAR
Found 36 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
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50274347
PNG
((2E)-N-[(5R,6R)-17-(cyclopropylmethyl)-4,5-epoxy-3...)
Show SMILES CN([C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)\C=C\c1ccoc1 |r,TLB:4:5:9.25.8:18.20.19,THB:6:5:9.25.8:18.20.19|
Show InChI InChI=1S/C28H32N2O5/c1-29(23(32)7-4-18-9-13-34-16-18)20-8-10-28(33)22-14-19-5-6-21(31)25-24(19)27(28,26(20)35-25)11-12-30(22)15-17-2-3-17/h4-7,9,13,16-17,20,22,26,31,33H,2-3,8,10-12,14-15H2,1H3/b7-4+/t20-,22-,26+,27+,28-/m1/s1
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0.178n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig cerebellum after 1 hr by liquid scintillation counting analysis


Bioorg Med Chem Lett 23: 268-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.100
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50424111
PNG
(CHEMBL2315360)
Show SMILES CCCN1CC[C@H]2c3c(C[C@@H]1[C@]2(O)CCCN(C)C(=O)\C=C\c1ccoc1)ccc(O)c3O |r|
Show InChI InChI=1S/C26H34N2O5/c1-3-12-28-14-9-20-24-19(6-7-21(29)25(24)31)16-22(28)26(20,32)11-4-13-27(2)23(30)8-5-18-10-15-33-17-18/h5-8,10,15,17,20,22,29,31-32H,3-4,9,11-14,16H2,1-2H3/b8-5+/t20-,22+,26-/m0/s1
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0.328n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig cerebellum after 1 hr by liquid scintillation counting analysis


Bioorg Med Chem Lett 23: 268-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.100
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50274347
PNG
((2E)-N-[(5R,6R)-17-(cyclopropylmethyl)-4,5-epoxy-3...)
Show SMILES CN([C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)\C=C\c1ccoc1 |r,TLB:4:5:9.25.8:18.20.19,THB:6:5:9.25.8:18.20.19|
Show InChI InChI=1S/C28H32N2O5/c1-29(23(32)7-4-18-9-13-34-16-18)20-8-10-28(33)22-14-19-5-6-21(31)25-24(19)27(28,26(20)35-25)11-12-30(22)15-17-2-3-17/h4-7,9,13,16-17,20,22,26,31,33H,2-3,8,10-12,14-15H2,1H3/b7-4+/t20-,22-,26+,27+,28-/m1/s1
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0.431n/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 after 1 hr by liquid scintillation counting analy...


Bioorg Med Chem Lett 23: 268-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.100
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50424109
PNG
(CHEMBL2315358)
Show SMILES CN(CCC[C@@]1(O)[C@H]2Cc3ccc(O)c(O)c3[C@@H]1CCN2CCF)C(=O)\C=C\c1ccoc1 |r|
Show InChI InChI=1S/C25H31FN2O5/c1-27(22(30)6-3-17-8-14-33-16-17)11-2-9-25(32)19-7-12-28(13-10-26)21(25)15-18-4-5-20(29)24(31)23(18)19/h3-6,8,14,16,19,21,29,31-32H,2,7,9-13,15H2,1H3/b6-3+/t19-,21+,25-/m0/s1
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0.507n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig cerebellum after 1 hr by liquid scintillation counting analysis


Bioorg Med Chem Lett 23: 268-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.100
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50424110
PNG
(CHEMBL2315359)
Show SMILES CC(C)CN1CC[C@H]2c3c(C[C@@H]1[C@]2(O)CCCN(C)C(=O)\C=C\c1ccoc1)ccc(O)c3O |r|
Show InChI InChI=1S/C27H36N2O5/c1-18(2)16-29-13-9-21-25-20(6-7-22(30)26(25)32)15-23(29)27(21,33)11-4-12-28(3)24(31)8-5-19-10-14-34-17-19/h5-8,10,14,17-18,21,23,30,32-33H,4,9,11-13,15-16H2,1-3H3/b8-5+/t21-,23+,27-/m0/s1
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0.590n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig cerebellum after 1 hr by liquid scintillation counting analysis


Bioorg Med Chem Lett 23: 268-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.100
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50424112
PNG
(CHEMBL2315361)
Show SMILES CCN1CC[C@H]2c3c(C[C@@H]1[C@]2(O)CCCN(C)C(=O)\C=C\c1ccoc1)ccc(O)c3O |r|
Show InChI InChI=1S/C25H32N2O5/c1-3-27-13-9-19-23-18(6-7-20(28)24(23)30)15-21(27)25(19,31)11-4-12-26(2)22(29)8-5-17-10-14-32-16-17/h5-8,10,14,16,19,21,28,30-31H,3-4,9,11-13,15H2,1-2H3/b8-5+/t19-,21+,25-/m0/s1
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0.625n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig cerebellum after 1 hr by liquid scintillation counting analysis


Bioorg Med Chem Lett 23: 268-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.100
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50424113
PNG
(CHEMBL2315362)
Show SMILES CN(CCC[C@@]1(O)[C@H]2Cc3ccc(O)c(O)c3[C@@H]1CCN2C)C(=O)\C=C\c1ccoc1 |r|
Show InChI InChI=1S/C24H30N2O5/c1-25-12-8-18-22-17(5-6-19(27)23(22)29)14-20(25)24(18,30)10-3-11-26(2)21(28)7-4-16-9-13-31-15-16/h4-7,9,13,15,18,20,27,29-30H,3,8,10-12,14H2,1-2H3/b7-4+/t18-,20+,24-/m0/s1
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0.735n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig cerebellum after 1 hr by liquid scintillation counting analysis


Bioorg Med Chem Lett 23: 268-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.100
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]U69593 from kappa opioid receptor in guinea pig cerebellum after 1 hr by liquid scintillation counting analysis


Bioorg Med Chem Lett 23: 268-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.100
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50424108
PNG
(CHEMBL2315357)
Show SMILES CN(CCC[C@@]1(O)[C@H]2Cc3ccc(O)c(O)c3[C@@H]1CCN2CC(F)F)C(=O)\C=C\c1ccoc1 |r|
Show InChI InChI=1S/C25H30F2N2O5/c1-28(22(31)6-3-16-8-12-34-15-16)10-2-9-25(33)18-7-11-29(14-21(26)27)20(25)13-17-4-5-19(30)24(32)23(17)18/h3-6,8,12,15,18,20-21,30,32-33H,2,7,9-11,13-14H2,1H3/b6-3+/t18-,20+,25-/m0/s1
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2.20n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig cerebellum after 1 hr by liquid scintillation counting analysis


Bioorg Med Chem Lett 23: 268-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.100
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50424113
PNG
(CHEMBL2315362)
Show SMILES CN(CCC[C@@]1(O)[C@H]2Cc3ccc(O)c(O)c3[C@@H]1CCN2C)C(=O)\C=C\c1ccoc1 |r|
Show InChI InChI=1S/C24H30N2O5/c1-25-12-8-18-22-17(5-6-19(27)23(22)29)14-20(25)24(18,30)10-3-11-26(2)21(28)7-4-16-9-13-31-15-16/h4-7,9,13,15,18,20,27,29-30H,3,8,10-12,14H2,1-2H3/b7-4+/t18-,20+,24-/m0/s1
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2.80n/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 after 1 hr by liquid scintillation counting analy...


Bioorg Med Chem Lett 23: 268-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.100
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50424107
PNG
(CHEMBL2315356)
Show SMILES CN(CCC[C@@]1(O)[C@H]2Cc3ccc(O)c(O)c3[C@@H]1CCN2CC(F)(F)F)C(=O)\C=C\c1ccoc1 |r|
Show InChI InChI=1S/C25H29F3N2O5/c1-29(21(32)6-3-16-8-12-35-14-16)10-2-9-24(34)18-7-11-30(15-25(26,27)28)20(24)13-17-4-5-19(31)23(33)22(17)18/h3-6,8,12,14,18,20,31,33-34H,2,7,9-11,13,15H2,1H3/b6-3+/t18-,20+,24-/m0/s1
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4.60n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig cerebellum after 1 hr by liquid scintillation counting analysis


Bioorg Med Chem Lett 23: 268-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.100
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50424109
PNG
(CHEMBL2315358)
Show SMILES CN(CCC[C@@]1(O)[C@H]2Cc3ccc(O)c(O)c3[C@@H]1CCN2CCF)C(=O)\C=C\c1ccoc1 |r|
Show InChI InChI=1S/C25H31FN2O5/c1-27(22(30)6-3-17-8-14-33-16-17)11-2-9-25(32)19-7-12-28(13-10-26)21(25)15-18-4-5-20(29)24(31)23(18)19/h3-6,8,14,16,19,21,29,31-32H,2,7,9-13,15H2,1H3/b6-3+/t19-,21+,25-/m0/s1
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8.40n/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 after 1 hr by liquid scintillation counting analy...


Bioorg Med Chem Lett 23: 268-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.100
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50424112
PNG
(CHEMBL2315361)
Show SMILES CCN1CC[C@H]2c3c(C[C@@H]1[C@]2(O)CCCN(C)C(=O)\C=C\c1ccoc1)ccc(O)c3O |r|
Show InChI InChI=1S/C25H32N2O5/c1-3-27-13-9-19-23-18(6-7-20(28)24(23)30)15-21(27)25(19,31)11-4-12-26(2)22(29)8-5-17-10-14-32-16-17/h5-8,10,14,16,19,21,28,30-31H,3-4,9,11-13,15H2,1-2H3/b8-5+/t19-,21+,25-/m0/s1
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11n/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 after 1 hr by liquid scintillation counting analy...


Bioorg Med Chem Lett 23: 268-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.100
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50424111
PNG
(CHEMBL2315360)
Show SMILES CCCN1CC[C@H]2c3c(C[C@@H]1[C@]2(O)CCCN(C)C(=O)\C=C\c1ccoc1)ccc(O)c3O |r|
Show InChI InChI=1S/C26H34N2O5/c1-3-12-28-14-9-20-24-19(6-7-21(29)25(24)31)16-22(28)26(20,32)11-4-13-27(2)23(30)8-5-18-10-15-33-17-18/h5-8,10,15,17,20,22,29,31-32H,3-4,9,11-14,16H2,1-2H3/b8-5+/t20-,22+,26-/m0/s1
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19n/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 after 1 hr by liquid scintillation counting analy...


Bioorg Med Chem Lett 23: 268-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.100
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50424113
PNG
(CHEMBL2315362)
Show SMILES CN(CCC[C@@]1(O)[C@H]2Cc3ccc(O)c(O)c3[C@@H]1CCN2C)C(=O)\C=C\c1ccoc1 |r|
Show InChI InChI=1S/C24H30N2O5/c1-25-12-8-18-22-17(5-6-19(27)23(22)29)14-20(25)24(18,30)10-3-11-26(2)21(28)7-4-16-9-13-31-15-16/h4-7,9,13,15,18,20,27,29-30H,3,8,10-12,14H2,1-2H3/b7-4+/t18-,20+,24-/m0/s1
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36n/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 after 1 hr by liquid scintillation counting an...


Bioorg Med Chem Lett 23: 268-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.100
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50424110
PNG
(CHEMBL2315359)
Show SMILES CC(C)CN1CC[C@H]2c3c(C[C@@H]1[C@]2(O)CCCN(C)C(=O)\C=C\c1ccoc1)ccc(O)c3O |r|
Show InChI InChI=1S/C27H36N2O5/c1-18(2)16-29-13-9-21-25-20(6-7-22(30)26(25)32)15-23(29)27(21,33)11-4-12-28(3)24(31)8-5-19-10-14-34-17-19/h5-8,10,14,17-18,21,23,30,32-33H,4,9,11-13,15-16H2,1-3H3/b8-5+/t21-,23+,27-/m0/s1
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46n/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 after 1 hr by liquid scintillation counting analy...


Bioorg Med Chem Lett 23: 268-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.100
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50274347
PNG
((2E)-N-[(5R,6R)-17-(cyclopropylmethyl)-4,5-epoxy-3...)
Show SMILES CN([C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)\C=C\c1ccoc1 |r,TLB:4:5:9.25.8:18.20.19,THB:6:5:9.25.8:18.20.19|
Show InChI InChI=1S/C28H32N2O5/c1-29(23(32)7-4-18-9-13-34-16-18)20-8-10-28(33)22-14-19-5-6-21(31)25-24(19)27(28,26(20)35-25)11-12-30(22)15-17-2-3-17/h4-7,9,13,16-17,20,22,26,31,33H,2-3,8,10-12,14-15H2,1H3/b7-4+/t20-,22-,26+,27+,28-/m1/s1
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51n/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 after 1 hr by liquid scintillation counting an...


Bioorg Med Chem Lett 23: 268-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.100
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50424111
PNG
(CHEMBL2315360)
Show SMILES CCCN1CC[C@H]2c3c(C[C@@H]1[C@]2(O)CCCN(C)C(=O)\C=C\c1ccoc1)ccc(O)c3O |r|
Show InChI InChI=1S/C26H34N2O5/c1-3-12-28-14-9-20-24-19(6-7-21(29)25(24)31)16-22(28)26(20,32)11-4-13-27(2)23(30)8-5-18-10-15-33-17-18/h5-8,10,15,17,20,22,29,31-32H,3-4,9,11-14,16H2,1-2H3/b8-5+/t20-,22+,26-/m0/s1
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176n/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 after 1 hr by liquid scintillation counting an...


Bioorg Med Chem Lett 23: 268-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.100
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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391n/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 after 1 hr by liquid scintillation counting an...


Bioorg Med Chem Lett 23: 268-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.100
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50424112
PNG
(CHEMBL2315361)
Show SMILES CCN1CC[C@H]2c3c(C[C@@H]1[C@]2(O)CCCN(C)C(=O)\C=C\c1ccoc1)ccc(O)c3O |r|
Show InChI InChI=1S/C25H32N2O5/c1-3-27-13-9-19-23-18(6-7-20(28)24(23)30)15-21(27)25(19,31)11-4-12-26(2)22(29)8-5-17-10-14-32-16-17/h5-8,10,14,16,19,21,28,30-31H,3-4,9,11-13,15H2,1-2H3/b8-5+/t19-,21+,25-/m0/s1
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512n/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 after 1 hr by liquid scintillation counting an...


Bioorg Med Chem Lett 23: 268-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.100
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50424110
PNG
(CHEMBL2315359)
Show SMILES CC(C)CN1CC[C@H]2c3c(C[C@@H]1[C@]2(O)CCCN(C)C(=O)\C=C\c1ccoc1)ccc(O)c3O |r|
Show InChI InChI=1S/C27H36N2O5/c1-18(2)16-29-13-9-21-25-20(6-7-22(30)26(25)32)15-23(29)27(21,33)11-4-12-28(3)24(31)8-5-19-10-14-34-17-19/h5-8,10,14,17-18,21,23,30,32-33H,4,9,11-13,15-16H2,1-3H3/b8-5+/t21-,23+,27-/m0/s1
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514n/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 after 1 hr by liquid scintillation counting an...


Bioorg Med Chem Lett 23: 268-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.100
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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548n/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 after 1 hr by liquid scintillation counting analy...


Bioorg Med Chem Lett 23: 268-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.100
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50424107
PNG
(CHEMBL2315356)
Show SMILES CN(CCC[C@@]1(O)[C@H]2Cc3ccc(O)c(O)c3[C@@H]1CCN2CC(F)(F)F)C(=O)\C=C\c1ccoc1 |r|
Show InChI InChI=1S/C25H29F3N2O5/c1-29(21(32)6-3-16-8-12-35-14-16)10-2-9-24(34)18-7-11-30(15-25(26,27)28)20(24)13-17-4-5-19(31)23(33)22(17)18/h3-6,8,12,14,18,20,31,33-34H,2,7,9-11,13,15H2,1H3/b6-3+/t18-,20+,24-/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]DAMGO from mu opioid receptor in mouse whole brain membranes without cerebellum after 1 hr by liquid scintillation counting analy...


Bioorg Med Chem Lett 23: 268-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.100
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50424108
PNG
(CHEMBL2315357)
Show SMILES CN(CCC[C@@]1(O)[C@H]2Cc3ccc(O)c(O)c3[C@@H]1CCN2CC(F)F)C(=O)\C=C\c1ccoc1 |r|
Show InChI InChI=1S/C25H30F2N2O5/c1-28(22(31)6-3-16-8-12-34-15-16)10-2-9-25(33)18-7-11-29(14-21(26)27)20(25)13-17-4-5-19(30)24(32)23(17)18/h3-6,8,12,15,18,20-21,30,32-33H,2,7,9-11,13-14H2,1H3/b6-3+/t18-,20+,25-/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 delta opioid receptor in mouse whole brain membranes without cerebellum after 1 hr by liquid scintillation counting an...


Bioorg Med Chem Lett 23: 268-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.100
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50424109
PNG
(CHEMBL2315358)
Show SMILES CN(CCC[C@@]1(O)[C@H]2Cc3ccc(O)c(O)c3[C@@H]1CCN2CCF)C(=O)\C=C\c1ccoc1 |r|
Show InChI InChI=1S/C25H31FN2O5/c1-27(22(30)6-3-17-8-14-33-16-17)11-2-9-25(32)19-7-12-28(13-10-26)21(25)15-18-4-5-20(29)24(31)23(18)19/h3-6,8,14,16,19,21,29,31-32H,2,7,9-13,15H2,1H3/b6-3+/t19-,21+,25-/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 delta opioid receptor in mouse whole brain membranes without cerebellum after 1 hr by liquid scintillation counting an...


Bioorg Med Chem Lett 23: 268-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.100
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50424107
PNG
(CHEMBL2315356)
Show SMILES CN(CCC[C@@]1(O)[C@H]2Cc3ccc(O)c(O)c3[C@@H]1CCN2CC(F)(F)F)C(=O)\C=C\c1ccoc1 |r|
Show InChI InChI=1S/C25H29F3N2O5/c1-29(21(32)6-3-16-8-12-35-14-16)10-2-9-24(34)18-7-11-30(15-25(26,27)28)20(24)13-17-4-5-19(31)23(33)22(17)18/h3-6,8,12,14,18,20,31,33-34H,2,7,9-11,13,15H2,1H3/b6-3+/t18-,20+,24-/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 delta opioid receptor in mouse whole brain membranes without cerebellum after 1 hr by liquid scintillation counting an...


Bioorg Med Chem Lett 23: 268-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.100
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50424108
PNG
(CHEMBL2315357)
Show SMILES CN(CCC[C@@]1(O)[C@H]2Cc3ccc(O)c(O)c3[C@@H]1CCN2CC(F)F)C(=O)\C=C\c1ccoc1 |r|
Show InChI InChI=1S/C25H30F2N2O5/c1-28(22(31)6-3-16-8-12-34-15-16)10-2-9-25(33)18-7-11-29(14-21(26)27)20(25)13-17-4-5-19(30)24(32)23(17)18/h3-6,8,12,15,18,20-21,30,32-33H,2,7,9-11,13-14H2,1H3/b6-3+/t18-,20+,25-/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]DAMGO from mu opioid receptor in mouse whole brain membranes without cerebellum after 1 hr by liquid scintillation counting analy...


Bioorg Med Chem Lett 23: 268-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.100
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50424110
PNG
(CHEMBL2315359)
Show SMILES CC(C)CN1CC[C@H]2c3c(C[C@@H]1[C@]2(O)CCCN(C)C(=O)\C=C\c1ccoc1)ccc(O)c3O |r|
Show InChI InChI=1S/C27H36N2O5/c1-18(2)16-29-13-9-21-25-20(6-7-22(30)26(25)32)15-23(29)27(21,33)11-4-12-28(3)24(31)8-5-19-10-14-34-17-19/h5-8,10,14,17-18,21,23,30,32-33H,4,9,11-13,15-16H2,1-3H3/b8-5+/t21-,23+,27-/m0/s1
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n/an/an/an/a 8.10n/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant kappa opioid receptor expressed in CHO cells after 2 hrs by [35S]-GTPgammaS binding assay


Bioorg Med Chem Lett 23: 268-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.100
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 28n/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant kappa opioid receptor expressed in CHO cells after 2 hrs by [35S]-GTPgammaS binding assay


Bioorg Med Chem Lett 23: 268-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.100
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50424107
PNG
(CHEMBL2315356)
Show SMILES CN(CCC[C@@]1(O)[C@H]2Cc3ccc(O)c(O)c3[C@@H]1CCN2CC(F)(F)F)C(=O)\C=C\c1ccoc1 |r|
Show InChI InChI=1S/C25H29F3N2O5/c1-29(21(32)6-3-16-8-12-35-14-16)10-2-9-24(34)18-7-11-30(15-25(26,27)28)20(24)13-17-4-5-19(31)23(33)22(17)18/h3-6,8,12,14,18,20,31,33-34H,2,7,9-11,13,15H2,1H3/b6-3+/t18-,20+,24-/m0/s1
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n/an/an/an/a 32n/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant kappa opioid receptor expressed in CHO cells after 2 hrs by [35S]-GTPgammaS binding assay


Bioorg Med Chem Lett 23: 268-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.100
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50424113
PNG
(CHEMBL2315362)
Show SMILES CN(CCC[C@@]1(O)[C@H]2Cc3ccc(O)c(O)c3[C@@H]1CCN2C)C(=O)\C=C\c1ccoc1 |r|
Show InChI InChI=1S/C24H30N2O5/c1-25-12-8-18-22-17(5-6-19(27)23(22)29)14-20(25)24(18,30)10-3-11-26(2)21(28)7-4-16-9-13-31-15-16/h4-7,9,13,15,18,20,27,29-30H,3,8,10-12,14H2,1-2H3/b7-4+/t18-,20+,24-/m0/s1
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n/an/an/an/a 11n/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant kappa opioid receptor expressed in CHO cells after 2 hrs by [35S]-GTPgammaS binding assay


Bioorg Med Chem Lett 23: 268-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.100
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50274347
PNG
((2E)-N-[(5R,6R)-17-(cyclopropylmethyl)-4,5-epoxy-3...)
Show SMILES CN([C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)\C=C\c1ccoc1 |r,TLB:4:5:9.25.8:18.20.19,THB:6:5:9.25.8:18.20.19|
Show InChI InChI=1S/C28H32N2O5/c1-29(23(32)7-4-18-9-13-34-16-18)20-8-10-28(33)22-14-19-5-6-21(31)25-24(19)27(28,26(20)35-25)11-12-30(22)15-17-2-3-17/h4-7,9,13,16-17,20,22,26,31,33H,2-3,8,10-12,14-15H2,1H3/b7-4+/t20-,22-,26+,27+,28-/m1/s1
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n/an/an/an/a 0.0500n/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant kappa opioid receptor expressed in CHO cells after 2 hrs by [35S]-GTPgammaS binding assay


Bioorg Med Chem Lett 23: 268-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.100
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50424108
PNG
(CHEMBL2315357)
Show SMILES CN(CCC[C@@]1(O)[C@H]2Cc3ccc(O)c(O)c3[C@@H]1CCN2CC(F)F)C(=O)\C=C\c1ccoc1 |r|
Show InChI InChI=1S/C25H30F2N2O5/c1-28(22(31)6-3-16-8-12-34-15-16)10-2-9-25(33)18-7-11-29(14-21(26)27)20(25)13-17-4-5-19(30)24(32)23(17)18/h3-6,8,12,15,18,20-21,30,32-33H,2,7,9-11,13-14H2,1H3/b6-3+/t18-,20+,25-/m0/s1
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n/an/an/an/a 22n/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant kappa opioid receptor expressed in CHO cells after 2 hrs by [35S]-GTPgammaS binding assay


Bioorg Med Chem Lett 23: 268-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.100
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50424111
PNG
(CHEMBL2315360)
Show SMILES CCCN1CC[C@H]2c3c(C[C@@H]1[C@]2(O)CCCN(C)C(=O)\C=C\c1ccoc1)ccc(O)c3O |r|
Show InChI InChI=1S/C26H34N2O5/c1-3-12-28-14-9-20-24-19(6-7-21(29)25(24)31)16-22(28)26(20,32)11-4-13-27(2)23(30)8-5-18-10-15-33-17-18/h5-8,10,15,17,20,22,29,31-32H,3-4,9,11-14,16H2,1-2H3/b8-5+/t20-,22+,26-/m0/s1
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n/an/an/an/a 2.70n/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant kappa opioid receptor expressed in CHO cells after 2 hrs by [35S]-GTPgammaS binding assay


Bioorg Med Chem Lett 23: 268-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.100
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50424112
PNG
(CHEMBL2315361)
Show SMILES CCN1CC[C@H]2c3c(C[C@@H]1[C@]2(O)CCCN(C)C(=O)\C=C\c1ccoc1)ccc(O)c3O |r|
Show InChI InChI=1S/C25H32N2O5/c1-3-27-13-9-19-23-18(6-7-20(28)24(23)30)15-21(27)25(19,31)11-4-12-26(2)22(29)8-5-17-10-14-32-16-17/h5-8,10,14,16,19,21,28,30-31H,3-4,9,11-13,15H2,1-2H3/b8-5+/t19-,21+,25-/m0/s1
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n/an/an/an/a 3.80n/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant kappa opioid receptor expressed in CHO cells after 2 hrs by [35S]-GTPgammaS binding assay


Bioorg Med Chem Lett 23: 268-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.100
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50424109
PNG
(CHEMBL2315358)
Show SMILES CN(CCC[C@@]1(O)[C@H]2Cc3ccc(O)c(O)c3[C@@H]1CCN2CCF)C(=O)\C=C\c1ccoc1 |r|
Show InChI InChI=1S/C25H31FN2O5/c1-27(22(30)6-3-17-8-14-33-16-17)11-2-9-25(32)19-7-12-28(13-10-26)21(25)15-18-4-5-20(29)24(31)23(18)19/h3-6,8,14,16,19,21,29,31-32H,2,7,9-13,15H2,1H3/b6-3+/t19-,21+,25-/m0/s1
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n/an/an/an/a 2.20n/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant kappa opioid receptor expressed in CHO cells after 2 hrs by [35S]-GTPgammaS binding assay


Bioorg Med Chem Lett 23: 268-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.100
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%