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PubMed code 22460026

Compile data set for download or QSAR
Found 39 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/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50381027
PNG
(CHEMBL2017142)
Show SMILES CN([C@H]1CCC23Cc4ccc(O)cc4C2(CCN(CC2CC2)C3)C1)C(=O)\C=C\c1ccoc1
Show InChI InChI=1S/C28H34N2O3/c1-29(26(32)7-4-21-9-13-33-18-21)23-8-10-27-15-22-5-6-24(31)14-25(22)28(27,16-23)11-12-30(19-27)17-20-2-3-20/h4-7,9,13-14,18,20,23,31H,2-3,8,10-12,15-17,19H2,1H3/b7-4+/t23-,27?,28?/m0/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]U69593 from kappa opioid receptor in guinea pig cerebellum


Bioorg Med Chem Lett 22: 2775-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.082
BindingDB Entry DOI: 10.7270/Q23X87PR
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50381026
PNG
(CHEMBL2017141)
Show SMILES CN([C@H]1CCC23Cc4ccc(O)cc4C2(CCN(CC2CC2)C3)C1)C(=O)CCc1ccccc1
Show InChI InChI=1S/C30H38N2O2/c1-31(28(34)12-9-22-5-3-2-4-6-22)25-13-14-29-18-24-10-11-26(33)17-27(24)30(29,19-25)15-16-32(21-29)20-23-7-8-23/h2-6,10-11,17,23,25,33H,7-9,12-16,18-21H2,1H3/t25-,29?,30?/m0/s1
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1.23n/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 without cerebellum


Bioorg Med Chem Lett 22: 2775-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.082
BindingDB Entry DOI: 10.7270/Q23X87PR
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50381027
PNG
(CHEMBL2017142)
Show SMILES CN([C@H]1CCC23Cc4ccc(O)cc4C2(CCN(CC2CC2)C3)C1)C(=O)\C=C\c1ccoc1
Show InChI InChI=1S/C28H34N2O3/c1-29(26(32)7-4-21-9-13-33-18-21)23-8-10-27-15-22-5-6-24(31)14-25(22)28(27,16-23)11-12-30(19-27)17-20-2-3-20/h4-7,9,13-14,18,20,23,31H,2-3,8,10-12,15-17,19H2,1H3/b7-4+/t23-,27?,28?/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]DAMGO from mu opioid receptor in mouse whole brain without cerebellum


Bioorg Med Chem Lett 22: 2775-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.082
BindingDB Entry DOI: 10.7270/Q23X87PR
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50381029
PNG
(CHEMBL2017144)
Show SMILES CN([C@@H]1CCC23Cc4ccc(O)cc4C2(CCN(CC2CC2)C3)C1)C(=O)\C=C\c1ccoc1
Show InChI InChI=1S/C28H34N2O3/c1-29(26(32)7-4-21-9-13-33-18-21)23-8-10-27-15-22-5-6-24(31)14-25(22)28(27,16-23)11-12-30(19-27)17-20-2-3-20/h4-7,9,13-14,18,20,23,31H,2-3,8,10-12,15-17,19H2,1H3/b7-4+/t23-,27?,28?/m1/s1
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3.43n/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


Bioorg Med Chem Lett 22: 2775-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.082
BindingDB Entry DOI: 10.7270/Q23X87PR
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50381026
PNG
(CHEMBL2017141)
Show SMILES CN([C@H]1CCC23Cc4ccc(O)cc4C2(CCN(CC2CC2)C3)C1)C(=O)CCc1ccccc1
Show InChI InChI=1S/C30H38N2O2/c1-31(28(34)12-9-22-5-3-2-4-6-22)25-13-14-29-18-24-10-11-26(33)17-27(24)30(29,19-25)15-16-32(21-29)20-23-7-8-23/h2-6,10-11,17,23,25,33H,7-9,12-16,18-21H2,1H3/t25-,29?,30?/m0/s1
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7.10n/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


Bioorg Med Chem Lett 22: 2775-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.082
BindingDB Entry DOI: 10.7270/Q23X87PR
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50381029
PNG
(CHEMBL2017144)
Show SMILES CN([C@@H]1CCC23Cc4ccc(O)cc4C2(CCN(CC2CC2)C3)C1)C(=O)\C=C\c1ccoc1
Show InChI InChI=1S/C28H34N2O3/c1-29(26(32)7-4-21-9-13-33-18-21)23-8-10-27-15-22-5-6-24(31)14-25(22)28(27,16-23)11-12-30(19-27)17-20-2-3-20/h4-7,9,13-14,18,20,23,31H,2-3,8,10-12,15-17,19H2,1H3/b7-4+/t23-,27?,28?/m1/s1
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12.2n/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 without cerebellum


Bioorg Med Chem Lett 22: 2775-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.082
BindingDB Entry DOI: 10.7270/Q23X87PR
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50381034
PNG
(CHEMBL2017151)
Show SMILES Oc1ccc2CC34CN(CC5CC5)CCC3(CC=C(C4)C(=O)Nc3ccccc3)c2c1
Show InChI InChI=1S/C27H30N2O2/c30-23-9-8-20-15-26-16-21(25(31)28-22-4-2-1-3-5-22)10-11-27(26,24(20)14-23)12-13-29(18-26)17-19-6-7-19/h1-5,8-10,14,19,30H,6-7,11-13,15-18H2,(H,28,31)
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12.4n/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 without cerebellum


Bioorg Med Chem Lett 22: 2775-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.082
BindingDB Entry DOI: 10.7270/Q23X87PR
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50381030
PNG
(CHEMBL2017145)
Show SMILES Oc1ccc2CC34C[C@@H](CCC3(CCN(CC3CC3)C4)c2c1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C27H32N2O2/c30-23-9-8-20-15-26-16-21(25(31)28-22-4-2-1-3-5-22)10-11-27(26,24(20)14-23)12-13-29(18-26)17-19-6-7-19/h1-5,8-9,14,19,21,30H,6-7,10-13,15-18H2,(H,28,31)/t21-,26?,27?/m1/s1
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13.4n/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


Bioorg Med Chem Lett 22: 2775-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.082
BindingDB Entry DOI: 10.7270/Q23X87PR
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50381028
PNG
(CHEMBL2017143)
Show SMILES CN([C@@H]1CCC23Cc4ccc(O)cc4C2(CCN(CC2CC2)C3)C1)C(=O)CCc1ccccc1
Show InChI InChI=1S/C30H38N2O2/c1-31(28(34)12-9-22-5-3-2-4-6-22)25-13-14-29-18-24-10-11-26(33)17-27(24)30(29,19-25)15-16-32(21-29)20-23-7-8-23/h2-6,10-11,17,23,25,33H,7-9,12-16,18-21H2,1H3/t25-,29?,30?/m1/s1
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16.4n/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


Bioorg Med Chem Lett 22: 2775-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.082
BindingDB Entry DOI: 10.7270/Q23X87PR
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50381024
PNG
(CHEMBL2017146)
Show SMILES Oc1ccc2CC34C[C@@H](CCC3(CCN(CC3CC3)C4)c2c1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C28H34N2O2/c31-24-9-8-22-15-27-16-23(26(32)29-17-20-4-2-1-3-5-20)10-11-28(27,25(22)14-24)12-13-30(19-27)18-21-6-7-21/h1-5,8-9,14,21,23,31H,6-7,10-13,15-19H2,(H,29,32)/t23-,27?,28?/m1/s1
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19.2n/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


Bioorg Med Chem Lett 22: 2775-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.082
BindingDB Entry DOI: 10.7270/Q23X87PR
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50381028
PNG
(CHEMBL2017143)
Show SMILES CN([C@@H]1CCC23Cc4ccc(O)cc4C2(CCN(CC2CC2)C3)C1)C(=O)CCc1ccccc1
Show InChI InChI=1S/C30H38N2O2/c1-31(28(34)12-9-22-5-3-2-4-6-22)25-13-14-29-18-24-10-11-26(33)17-27(24)30(29,19-25)15-16-32(21-29)20-23-7-8-23/h2-6,10-11,17,23,25,33H,7-9,12-16,18-21H2,1H3/t25-,29?,30?/m1/s1
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31.9n/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 without cerebellum


Bioorg Med Chem Lett 22: 2775-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.082
BindingDB Entry DOI: 10.7270/Q23X87PR
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50381035
PNG
(CHEMBL2017152)
Show SMILES Oc1ccc2CC34CN(CC5CC5)CCC3(CC=C(C4)C(=O)NCc3ccccc3)c2c1
Show InChI InChI=1S/C28H32N2O2/c31-24-9-8-22-15-27-16-23(26(32)29-17-20-4-2-1-3-5-20)10-11-28(27,25(22)14-24)12-13-30(19-27)18-21-6-7-21/h1-5,8-10,14,21,31H,6-7,11-13,15-19H2,(H,29,32)
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33.9n/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 without cerebellum


Bioorg Med Chem Lett 22: 2775-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.082
BindingDB Entry DOI: 10.7270/Q23X87PR
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50381027
PNG
(CHEMBL2017142)
Show SMILES CN([C@H]1CCC23Cc4ccc(O)cc4C2(CCN(CC2CC2)C3)C1)C(=O)\C=C\c1ccoc1
Show InChI InChI=1S/C28H34N2O3/c1-29(26(32)7-4-21-9-13-33-18-21)23-8-10-27-15-22-5-6-24(31)14-25(22)28(27,16-23)11-12-30(19-27)17-20-2-3-20/h4-7,9,13-14,18,20,23,31H,2-3,8,10-12,15-17,19H2,1H3/b7-4+/t23-,27?,28?/m0/s1
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35n/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 without cerebellum


Bioorg Med Chem Lett 22: 2775-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.082
BindingDB Entry DOI: 10.7270/Q23X87PR
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50381036
PNG
(CHEMBL2017153)
Show SMILES Oc1ccc2CC34CN(CC5CC5)CCC3(CC=C(C4)C(=O)NCCc3ccccc3)c2c1
Show InChI InChI=1S/C29H34N2O2/c32-25-9-8-23-17-28-18-24(27(33)30-14-11-21-4-2-1-3-5-21)10-12-29(28,26(23)16-25)13-15-31(20-28)19-22-6-7-22/h1-5,8-10,16,22,32H,6-7,11-15,17-20H2,(H,30,33)
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35.9n/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 without cerebellum


Bioorg Med Chem Lett 22: 2775-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.082
BindingDB Entry DOI: 10.7270/Q23X87PR
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50381026
PNG
(CHEMBL2017141)
Show SMILES CN([C@H]1CCC23Cc4ccc(O)cc4C2(CCN(CC2CC2)C3)C1)C(=O)CCc1ccccc1
Show InChI InChI=1S/C30H38N2O2/c1-31(28(34)12-9-22-5-3-2-4-6-22)25-13-14-29-18-24-10-11-26(33)17-27(24)30(29,19-25)15-16-32(21-29)20-23-7-8-23/h2-6,10-11,17,23,25,33H,7-9,12-16,18-21H2,1H3/t25-,29?,30?/m0/s1
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44.3n/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 without cerebellum


Bioorg Med Chem Lett 22: 2775-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.082
BindingDB Entry DOI: 10.7270/Q23X87PR
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50381034
PNG
(CHEMBL2017151)
Show SMILES Oc1ccc2CC34CN(CC5CC5)CCC3(CC=C(C4)C(=O)Nc3ccccc3)c2c1
Show InChI InChI=1S/C27H30N2O2/c30-23-9-8-20-15-26-16-21(25(31)28-22-4-2-1-3-5-22)10-11-27(26,24(20)14-23)12-13-29(18-26)17-19-6-7-19/h1-5,8-10,14,19,30H,6-7,11-13,15-18H2,(H,28,31)
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46.7n/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


Bioorg Med Chem Lett 22: 2775-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.082
BindingDB Entry DOI: 10.7270/Q23X87PR
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50381031
PNG
(CHEMBL2017147)
Show SMILES Oc1ccc2CC34C[C@@H](CCC3(CCN(CC3CC3)C4)c2c1)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C29H36N2O2/c32-25-9-8-23-17-28-18-24(27(33)30-14-11-21-4-2-1-3-5-21)10-12-29(28,26(23)16-25)13-15-31(20-28)19-22-6-7-22/h1-5,8-9,16,22,24,32H,6-7,10-15,17-20H2,(H,30,33)/t24-,28?,29?/m1/s1
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54.1n/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 without cerebellum


Bioorg Med Chem Lett 22: 2775-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.082
BindingDB Entry DOI: 10.7270/Q23X87PR
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50381028
PNG
(CHEMBL2017143)
Show SMILES CN([C@@H]1CCC23Cc4ccc(O)cc4C2(CCN(CC2CC2)C3)C1)C(=O)CCc1ccccc1
Show InChI InChI=1S/C30H38N2O2/c1-31(28(34)12-9-22-5-3-2-4-6-22)25-13-14-29-18-24-10-11-26(33)17-27(24)30(29,19-25)15-16-32(21-29)20-23-7-8-23/h2-6,10-11,17,23,25,33H,7-9,12-16,18-21H2,1H3/t25-,29?,30?/m1/s1
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65.2n/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 without cerebellum


Bioorg Med Chem Lett 22: 2775-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.082
BindingDB Entry DOI: 10.7270/Q23X87PR
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50381035
PNG
(CHEMBL2017152)
Show SMILES Oc1ccc2CC34CN(CC5CC5)CCC3(CC=C(C4)C(=O)NCc3ccccc3)c2c1
Show InChI InChI=1S/C28H32N2O2/c31-24-9-8-22-15-27-16-23(26(32)29-17-20-4-2-1-3-5-20)10-11-28(27,25(22)14-24)12-13-30(19-27)18-21-6-7-21/h1-5,8-10,14,21,31H,6-7,11-13,15-19H2,(H,29,32)
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72.7n/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


Bioorg Med Chem Lett 22: 2775-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.082
BindingDB Entry DOI: 10.7270/Q23X87PR
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50381030
PNG
(CHEMBL2017145)
Show SMILES Oc1ccc2CC34C[C@@H](CCC3(CCN(CC3CC3)C4)c2c1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C27H32N2O2/c30-23-9-8-20-15-26-16-21(25(31)28-22-4-2-1-3-5-22)10-11-27(26,24(20)14-23)12-13-29(18-26)17-19-6-7-19/h1-5,8-9,14,19,21,30H,6-7,10-13,15-18H2,(H,28,31)/t21-,26?,27?/m1/s1
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79.7n/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 without cerebellum


Bioorg Med Chem Lett 22: 2775-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.082
BindingDB Entry DOI: 10.7270/Q23X87PR
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50381032
PNG
(CHEMBL2017148)
Show SMILES Oc1ccc2CC34C[C@H](CCC3(CCN(CC3CC3)C4)c2c1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C27H32N2O2/c30-23-9-8-20-15-26-16-21(25(31)28-22-4-2-1-3-5-22)10-11-27(26,24(20)14-23)12-13-29(18-26)17-19-6-7-19/h1-5,8-9,14,19,21,30H,6-7,10-13,15-18H2,(H,28,31)/t21-,26?,27?/m0/s1
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80.8n/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 without cerebellum


Bioorg Med Chem Lett 22: 2775-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.082
BindingDB Entry DOI: 10.7270/Q23X87PR
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50381024
PNG
(CHEMBL2017146)
Show SMILES Oc1ccc2CC34C[C@@H](CCC3(CCN(CC3CC3)C4)c2c1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C28H34N2O2/c31-24-9-8-22-15-27-16-23(26(32)29-17-20-4-2-1-3-5-20)10-11-28(27,25(22)14-24)12-13-30(19-27)18-21-6-7-21/h1-5,8-9,14,21,23,31H,6-7,10-13,15-19H2,(H,29,32)/t23-,27?,28?/m1/s1
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106n/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 without cerebellum


Bioorg Med Chem Lett 22: 2775-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.082
BindingDB Entry DOI: 10.7270/Q23X87PR
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50381032
PNG
(CHEMBL2017148)
Show SMILES Oc1ccc2CC34C[C@H](CCC3(CCN(CC3CC3)C4)c2c1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C27H32N2O2/c30-23-9-8-20-15-26-16-21(25(31)28-22-4-2-1-3-5-22)10-11-27(26,24(20)14-23)12-13-29(18-26)17-19-6-7-19/h1-5,8-9,14,19,21,30H,6-7,10-13,15-18H2,(H,28,31)/t21-,26?,27?/m0/s1
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108n/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


Bioorg Med Chem Lett 22: 2775-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.082
BindingDB Entry DOI: 10.7270/Q23X87PR
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50381033
PNG
(CHEMBL2017149)
Show SMILES Oc1ccc2CC34C[C@H](CCC3(CCN(CC3CC3)C4)c2c1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C28H34N2O2/c31-24-9-8-22-15-27-16-23(26(32)29-17-20-4-2-1-3-5-20)10-11-28(27,25(22)14-24)12-13-30(19-27)18-21-6-7-21/h1-5,8-9,14,21,23,31H,6-7,10-13,15-19H2,(H,29,32)/t23-,27?,28?/m0/s1
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112n/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 without cerebellum


Bioorg Med Chem Lett 22: 2775-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.082
BindingDB Entry DOI: 10.7270/Q23X87PR
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50381029
PNG
(CHEMBL2017144)
Show SMILES CN([C@@H]1CCC23Cc4ccc(O)cc4C2(CCN(CC2CC2)C3)C1)C(=O)\C=C\c1ccoc1
Show InChI InChI=1S/C28H34N2O3/c1-29(26(32)7-4-21-9-13-33-18-21)23-8-10-27-15-22-5-6-24(31)14-25(22)28(27,16-23)11-12-30(19-27)17-20-2-3-20/h4-7,9,13-14,18,20,23,31H,2-3,8,10-12,15-17,19H2,1H3/b7-4+/t23-,27?,28?/m1/s1
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121n/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 without cerebellum


Bioorg Med Chem Lett 22: 2775-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.082
BindingDB Entry DOI: 10.7270/Q23X87PR
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50381031
PNG
(CHEMBL2017147)
Show SMILES Oc1ccc2CC34C[C@@H](CCC3(CCN(CC3CC3)C4)c2c1)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C29H36N2O2/c32-25-9-8-23-17-28-18-24(27(33)30-14-11-21-4-2-1-3-5-21)10-12-29(28,26(23)16-25)13-15-31(20-28)19-22-6-7-22/h1-5,8-9,16,22,24,32H,6-7,10-15,17-20H2,(H,30,33)/t24-,28?,29?/m1/s1
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169n/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


Bioorg Med Chem Lett 22: 2775-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.082
BindingDB Entry DOI: 10.7270/Q23X87PR
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50381034
PNG
(CHEMBL2017151)
Show SMILES Oc1ccc2CC34CN(CC5CC5)CCC3(CC=C(C4)C(=O)Nc3ccccc3)c2c1
Show InChI InChI=1S/C27H30N2O2/c30-23-9-8-20-15-26-16-21(25(31)28-22-4-2-1-3-5-22)10-11-27(26,24(20)14-23)12-13-29(18-26)17-19-6-7-19/h1-5,8-10,14,19,30H,6-7,11-13,15-18H2,(H,28,31)
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192n/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 without cerebellum


Bioorg Med Chem Lett 22: 2775-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.082
BindingDB Entry DOI: 10.7270/Q23X87PR
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50381032
PNG
(CHEMBL2017148)
Show SMILES Oc1ccc2CC34C[C@H](CCC3(CCN(CC3CC3)C4)c2c1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C27H32N2O2/c30-23-9-8-20-15-26-16-21(25(31)28-22-4-2-1-3-5-22)10-11-27(26,24(20)14-23)12-13-29(18-26)17-19-6-7-19/h1-5,8-9,14,19,21,30H,6-7,10-13,15-18H2,(H,28,31)/t21-,26?,27?/m0/s1
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207n/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 without cerebellum


Bioorg Med Chem Lett 22: 2775-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.082
BindingDB Entry DOI: 10.7270/Q23X87PR
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50381036
PNG
(CHEMBL2017153)
Show SMILES Oc1ccc2CC34CN(CC5CC5)CCC3(CC=C(C4)C(=O)NCCc3ccccc3)c2c1
Show InChI InChI=1S/C29H34N2O2/c32-25-9-8-23-17-28-18-24(27(33)30-14-11-21-4-2-1-3-5-21)10-12-29(28,26(23)16-25)13-15-31(20-28)19-22-6-7-22/h1-5,8-10,16,22,32H,6-7,11-15,17-20H2,(H,30,33)
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253n/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


Bioorg Med Chem Lett 22: 2775-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.082
BindingDB Entry DOI: 10.7270/Q23X87PR
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50381030
PNG
(CHEMBL2017145)
Show SMILES Oc1ccc2CC34C[C@@H](CCC3(CCN(CC3CC3)C4)c2c1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C27H32N2O2/c30-23-9-8-20-15-26-16-21(25(31)28-22-4-2-1-3-5-22)10-11-27(26,24(20)14-23)12-13-29(18-26)17-19-6-7-19/h1-5,8-9,14,19,21,30H,6-7,10-13,15-18H2,(H,28,31)/t21-,26?,27?/m1/s1
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282n/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 without cerebellum


Bioorg Med Chem Lett 22: 2775-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.082
BindingDB Entry DOI: 10.7270/Q23X87PR
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50381035
PNG
(CHEMBL2017152)
Show SMILES Oc1ccc2CC34CN(CC5CC5)CCC3(CC=C(C4)C(=O)NCc3ccccc3)c2c1
Show InChI InChI=1S/C28H32N2O2/c31-24-9-8-22-15-27-16-23(26(32)29-17-20-4-2-1-3-5-20)10-11-28(27,25(22)14-24)12-13-30(19-27)18-21-6-7-21/h1-5,8-10,14,21,31H,6-7,11-13,15-19H2,(H,29,32)
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298n/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 without cerebellum


Bioorg Med Chem Lett 22: 2775-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.082
BindingDB Entry DOI: 10.7270/Q23X87PR
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50381036
PNG
(CHEMBL2017153)
Show SMILES Oc1ccc2CC34CN(CC5CC5)CCC3(CC=C(C4)C(=O)NCCc3ccccc3)c2c1
Show InChI InChI=1S/C29H34N2O2/c32-25-9-8-23-17-28-18-24(27(33)30-14-11-21-4-2-1-3-5-21)10-12-29(28,26(23)16-25)13-15-31(20-28)19-22-6-7-22/h1-5,8-10,16,22,32H,6-7,11-15,17-20H2,(H,30,33)
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412n/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 without cerebellum


Bioorg Med Chem Lett 22: 2775-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.082
BindingDB Entry DOI: 10.7270/Q23X87PR
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50381025
PNG
(CHEMBL2017150)
Show SMILES Oc1ccc2CC34C[C@H](CCC3(CCN(CC3CC3)C4)c2c1)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C29H36N2O2/c32-25-9-8-23-17-28-18-24(27(33)30-14-11-21-4-2-1-3-5-21)10-12-29(28,26(23)16-25)13-15-31(20-28)19-22-6-7-22/h1-5,8-9,16,22,24,32H,6-7,10-15,17-20H2,(H,30,33)/t24-,28?,29?/m0/s1
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453n/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 without cerebellum


Bioorg Med Chem Lett 22: 2775-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.082
BindingDB Entry DOI: 10.7270/Q23X87PR
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50381025
PNG
(CHEMBL2017150)
Show SMILES Oc1ccc2CC34C[C@H](CCC3(CCN(CC3CC3)C4)c2c1)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C29H36N2O2/c32-25-9-8-23-17-28-18-24(27(33)30-14-11-21-4-2-1-3-5-21)10-12-29(28,26(23)16-25)13-15-31(20-28)19-22-6-7-22/h1-5,8-9,16,22,24,32H,6-7,10-15,17-20H2,(H,30,33)/t24-,28?,29?/m0/s1
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641n/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


Bioorg Med Chem Lett 22: 2775-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.082
BindingDB Entry DOI: 10.7270/Q23X87PR
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50381024
PNG
(CHEMBL2017146)
Show SMILES Oc1ccc2CC34C[C@@H](CCC3(CCN(CC3CC3)C4)c2c1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C28H34N2O2/c31-24-9-8-22-15-27-16-23(26(32)29-17-20-4-2-1-3-5-20)10-11-28(27,25(22)14-24)12-13-30(19-27)18-21-6-7-21/h1-5,8-9,14,21,23,31H,6-7,10-13,15-19H2,(H,29,32)/t23-,27?,28?/m1/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 without cerebellum


Bioorg Med Chem Lett 22: 2775-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.082
BindingDB Entry DOI: 10.7270/Q23X87PR
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50381031
PNG
(CHEMBL2017147)
Show SMILES Oc1ccc2CC34C[C@@H](CCC3(CCN(CC3CC3)C4)c2c1)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C29H36N2O2/c32-25-9-8-23-17-28-18-24(27(33)30-14-11-21-4-2-1-3-5-21)10-12-29(28,26(23)16-25)13-15-31(20-28)19-22-6-7-22/h1-5,8-9,16,22,24,32H,6-7,10-15,17-20H2,(H,30,33)/t24-,28?,29?/m1/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 without cerebellum


Bioorg Med Chem Lett 22: 2775-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.082
BindingDB Entry DOI: 10.7270/Q23X87PR
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50381033
PNG
(CHEMBL2017149)
Show SMILES Oc1ccc2CC34C[C@H](CCC3(CCN(CC3CC3)C4)c2c1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C28H34N2O2/c31-24-9-8-22-15-27-16-23(26(32)29-17-20-4-2-1-3-5-20)10-11-28(27,25(22)14-24)12-13-30(19-27)18-21-6-7-21/h1-5,8-9,14,21,23,31H,6-7,10-13,15-19H2,(H,29,32)/t23-,27?,28?/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 without cerebellum


Bioorg Med Chem Lett 22: 2775-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.082
BindingDB Entry DOI: 10.7270/Q23X87PR
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50381033
PNG
(CHEMBL2017149)
Show SMILES Oc1ccc2CC34C[C@H](CCC3(CCN(CC3CC3)C4)c2c1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C28H34N2O2/c31-24-9-8-22-15-27-16-23(26(32)29-17-20-4-2-1-3-5-20)10-11-28(27,25(22)14-24)12-13-30(19-27)18-21-6-7-21/h1-5,8-9,14,21,23,31H,6-7,10-13,15-19H2,(H,29,32)/t23-,27?,28?/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]U69593 from kappa opioid receptor in guinea pig cerebellum


Bioorg Med Chem Lett 22: 2775-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.082
BindingDB Entry DOI: 10.7270/Q23X87PR
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50381025
PNG
(CHEMBL2017150)
Show SMILES Oc1ccc2CC34C[C@H](CCC3(CCN(CC3CC3)C4)c2c1)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C29H36N2O2/c32-25-9-8-23-17-28-18-24(27(33)30-14-11-21-4-2-1-3-5-21)10-12-29(28,26(23)16-25)13-15-31(20-28)19-22-6-7-22/h1-5,8-9,16,22,24,32H,6-7,10-15,17-20H2,(H,30,33)/t24-,28?,29?/m0/s1
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UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
>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 without cerebellum


Bioorg Med Chem Lett 22: 2775-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.082
BindingDB Entry DOI: 10.7270/Q23X87PR
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%