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PubMed code 23016952

Compile data set for download or QSAR
Found 71 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


(Homo sapiens (Human))
BDBM50398759
PNG
(CHEMBL2179655)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@]3(Cc1cc(cnc41)-c1ccc(Cl)cc1)OC\C=C\c1ccccc1)ccc5O |r|
Show InChI InChI=1S/C35H31ClN2O3/c1-38-16-15-34-30-24-11-14-28(39)32(30)41-33(34)31-25(18-26(21-37-31)23-9-12-27(36)13-10-23)20-35(34,29(38)19-24)40-17-5-8-22-6-3-2-4-7-22/h2-14,18,21,29,33,39H,15-17,19-20H2,1H3/b8-5+/t29-,33+,34+,35-/m1/s1
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0.410n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by scintillation counting analysis


J Med Chem 55: 8350-63 (2012)


Article DOI: 10.1021/jm300686p
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50398758
PNG
(CHEMBL2179656)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@]3(Cc1cc(cnc41)-c1ccc(Cl)cc1)OCCCc1ccccc1)ccc5O |r|
Show InChI InChI=1S/C35H33ClN2O3/c1-38-16-15-34-30-24-11-14-28(39)32(30)41-33(34)31-25(18-26(21-37-31)23-9-12-27(36)13-10-23)20-35(34,29(38)19-24)40-17-5-8-22-6-3-2-4-7-22/h2-4,6-7,9-14,18,21,29,33,39H,5,8,15-17,19-20H2,1H3/t29-,33+,34+,35-/m1/s1
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0.540n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by scintillation counting analysis


J Med Chem 55: 8350-63 (2012)


Article DOI: 10.1021/jm300686p
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50398760
PNG
(CHEMBL2179652)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1ncc(cc1C[C@@]35OCCCc1ccccc1)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C38H37ClN2O3/c39-30-13-10-26(11-14-30)29-19-28-21-38(43-18-4-7-24-5-2-1-3-6-24)32-20-27-12-15-31(42)35-33(27)37(38,36(44-35)34(28)40-22-29)16-17-41(32)23-25-8-9-25/h1-3,5-6,10-15,19,22,25,32,36,42H,4,7-9,16-18,20-21,23H2/t32-,36+,37+,38-/m1/s1
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0.660n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells by scintillation counting analysis


J Med Chem 55: 8350-63 (2012)


Article DOI: 10.1021/jm300686p
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50398750
PNG
(CHEMBL2179662)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@]3(Cc1cc(cnc41)-c1ccc(Cl)cc1)OC(=O)CCc1ccccc1)ccc5O |r|
Show InChI InChI=1S/C35H31ClN2O4/c1-38-16-15-34-30-23-10-13-27(39)32(30)41-33(34)31-24(17-25(20-37-31)22-8-11-26(36)12-9-22)19-35(34,28(38)18-23)42-29(40)14-7-21-5-3-2-4-6-21/h2-6,8-13,17,20,28,33,39H,7,14-16,18-19H2,1H3/t28-,33+,34+,35-/m1/s1
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0.940n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by scintillation counting analysis


J Med Chem 55: 8350-63 (2012)


Article DOI: 10.1021/jm300686p
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50398750
PNG
(CHEMBL2179662)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@]3(Cc1cc(cnc41)-c1ccc(Cl)cc1)OC(=O)CCc1ccccc1)ccc5O |r|
Show InChI InChI=1S/C35H31ClN2O4/c1-38-16-15-34-30-23-10-13-27(39)32(30)41-33(34)31-24(17-25(20-37-31)22-8-11-26(36)12-9-22)19-35(34,28(38)18-23)42-29(40)14-7-21-5-3-2-4-6-21/h2-6,8-13,17,20,28,33,39H,7,14-16,18-19H2,1H3/t28-,33+,34+,35-/m1/s1
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0.960n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]DADLE from human delta opioid receptor expressed in CHO cells by scintillation counting analysis


J Med Chem 55: 8350-63 (2012)


Article DOI: 10.1021/jm300686p
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50398751
PNG
(CHEMBL2179661)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@]3(Cc1cc(cnc41)-c1ccc(Cl)cc1)OC(=O)Cc1ccccc1)ccc5O |r|
Show InChI InChI=1S/C34H29ClN2O4/c1-37-14-13-33-29-22-9-12-26(38)31(29)40-32(33)30-23(16-24(19-36-30)21-7-10-25(35)11-8-21)18-34(33,27(37)17-22)41-28(39)15-20-5-3-2-4-6-20/h2-12,16,19,27,32,38H,13-15,17-18H2,1H3/t27-,32+,33+,34-/m1/s1
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0.970n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]DADLE from human delta opioid receptor expressed in CHO cells by scintillation counting analysis


J Med Chem 55: 8350-63 (2012)


Article DOI: 10.1021/jm300686p
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50398753
PNG
(CHEMBL2179658)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1ncc(cc1C[C@@]35OC(=O)Cc1ccccc1)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C37H33ClN2O4/c38-28-11-8-24(9-12-28)27-17-26-19-37(44-31(42)16-22-4-2-1-3-5-22)30-18-25-10-13-29(41)34-32(25)36(37,35(43-34)33(26)39-20-27)14-15-40(30)21-23-6-7-23/h1-5,8-13,17,20,23,30,35,41H,6-7,14-16,18-19,21H2/t30-,35+,36+,37-/m1/s1
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1n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by scintillation counting analysis


J Med Chem 55: 8350-63 (2012)


Article DOI: 10.1021/jm300686p
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50398758
PNG
(CHEMBL2179656)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@]3(Cc1cc(cnc41)-c1ccc(Cl)cc1)OCCCc1ccccc1)ccc5O |r|
Show InChI InChI=1S/C35H33ClN2O3/c1-38-16-15-34-30-24-11-14-28(39)32(30)41-33(34)31-25(18-26(21-37-31)23-9-12-27(36)13-10-23)20-35(34,29(38)19-24)40-17-5-8-22-6-3-2-4-7-22/h2-4,6-7,9-14,18,21,29,33,39H,5,8,15-17,19-20H2,1H3/t29-,33+,34+,35-/m1/s1
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1n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]DADLE from human delta opioid receptor expressed in CHO cells by scintillation counting analysis


J Med Chem 55: 8350-63 (2012)


Article DOI: 10.1021/jm300686p
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50398759
PNG
(CHEMBL2179655)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@]3(Cc1cc(cnc41)-c1ccc(Cl)cc1)OC\C=C\c1ccccc1)ccc5O |r|
Show InChI InChI=1S/C35H31ClN2O3/c1-38-16-15-34-30-24-11-14-28(39)32(30)41-33(34)31-25(18-26(21-37-31)23-9-12-27(36)13-10-23)20-35(34,29(38)19-24)40-17-5-8-22-6-3-2-4-7-22/h2-14,18,21,29,33,39H,15-17,19-20H2,1H3/b8-5+/t29-,33+,34+,35-/m1/s1
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1.10n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]DADLE from human delta opioid receptor expressed in CHO cells by scintillation counting analysis


J Med Chem 55: 8350-63 (2012)


Article DOI: 10.1021/jm300686p
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50398760
PNG
(CHEMBL2179652)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1ncc(cc1C[C@@]35OCCCc1ccccc1)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C38H37ClN2O3/c39-30-13-10-26(11-14-30)29-19-28-21-38(43-18-4-7-24-5-2-1-3-6-24)32-20-27-12-15-31(42)35-33(27)37(38,36(44-35)34(28)40-22-29)16-17-41(32)23-25-8-9-25/h1-3,5-6,10-15,19,22,25,32,36,42H,4,7-9,16-18,20-21,23H2/t32-,36+,37+,38-/m1/s1
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1.20n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]DADLE from human delta opioid receptor expressed in CHO cells by scintillation counting analysis


J Med Chem 55: 8350-63 (2012)


Article DOI: 10.1021/jm300686p
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50398753
PNG
(CHEMBL2179658)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1ncc(cc1C[C@@]35OC(=O)Cc1ccccc1)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C37H33ClN2O4/c38-28-11-8-24(9-12-28)27-17-26-19-37(44-31(42)16-22-4-2-1-3-5-22)30-18-25-10-13-29(41)34-32(25)36(37,35(43-34)33(26)39-20-27)14-15-40(30)21-23-6-7-23/h1-5,8-13,17,20,23,30,35,41H,6-7,14-16,18-19,21H2/t30-,35+,36+,37-/m1/s1
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1.30n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]DADLE from human delta opioid receptor expressed in CHO cells by scintillation counting analysis


J Med Chem 55: 8350-63 (2012)


Article DOI: 10.1021/jm300686p
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50398751
PNG
(CHEMBL2179661)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@]3(Cc1cc(cnc41)-c1ccc(Cl)cc1)OC(=O)Cc1ccccc1)ccc5O |r|
Show InChI InChI=1S/C34H29ClN2O4/c1-37-14-13-33-29-22-9-12-26(38)31(29)40-32(33)30-23(16-24(19-36-30)21-7-10-25(35)11-8-21)18-34(33,27(37)17-22)41-28(39)15-20-5-3-2-4-6-20/h2-12,16,19,27,32,38H,13-15,17-18H2,1H3/t27-,32+,33+,34-/m1/s1
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1.40n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by scintillation counting analysis


J Med Chem 55: 8350-63 (2012)


Article DOI: 10.1021/jm300686p
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50398758
PNG
(CHEMBL2179656)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@]3(Cc1cc(cnc41)-c1ccc(Cl)cc1)OCCCc1ccccc1)ccc5O |r|
Show InChI InChI=1S/C35H33ClN2O3/c1-38-16-15-34-30-24-11-14-28(39)32(30)41-33(34)31-25(18-26(21-37-31)23-9-12-27(36)13-10-23)20-35(34,29(38)19-24)40-17-5-8-22-6-3-2-4-7-22/h2-4,6-7,9-14,18,21,29,33,39H,5,8,15-17,19-20H2,1H3/t29-,33+,34+,35-/m1/s1
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1.5n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cells by scintillation counting analysis


J Med Chem 55: 8350-63 (2012)


Article DOI: 10.1021/jm300686p
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50398759
PNG
(CHEMBL2179655)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@]3(Cc1cc(cnc41)-c1ccc(Cl)cc1)OC\C=C\c1ccccc1)ccc5O |r|
Show InChI InChI=1S/C35H31ClN2O3/c1-38-16-15-34-30-24-11-14-28(39)32(30)41-33(34)31-25(18-26(21-37-31)23-9-12-27(36)13-10-23)20-35(34,29(38)19-24)40-17-5-8-22-6-3-2-4-7-22/h2-14,18,21,29,33,39H,15-17,19-20H2,1H3/b8-5+/t29-,33+,34+,35-/m1/s1
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1.60n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cells by scintillation counting analysis


J Med Chem 55: 8350-63 (2012)


Article DOI: 10.1021/jm300686p
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50398755
PNG
(CHEMBL2179653)
Show SMILES CO[C@]12Cc3cc(cnc3[C@@H]3Oc4c5c(C[C@H]1N(C)CC[C@@]235)ccc4O)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C27H25ClN2O3/c1-30-10-9-26-22-16-5-8-20(31)24(22)33-25(26)23-17(13-27(26,32-2)21(30)12-16)11-18(14-29-23)15-3-6-19(28)7-4-15/h3-8,11,14,21,25,31H,9-10,12-13H2,1-2H3/t21-,25+,26+,27-/m1/s1
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1.60n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]DADLE from human delta opioid receptor expressed in CHO cells by scintillation counting analysis


J Med Chem 55: 8350-63 (2012)


Article DOI: 10.1021/jm300686p
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50398754
PNG
(CHEMBL2179654)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@]3(Cc1cc(cnc41)-c1ccc(Cl)cc1)OCc1ccccc1)ccc5O |r|
Show InChI InChI=1S/C33H29ClN2O3/c1-36-14-13-32-28-22-9-12-26(37)30(28)39-31(32)29-23(15-24(18-35-29)21-7-10-25(34)11-8-21)17-33(32,27(36)16-22)38-19-20-5-3-2-4-6-20/h2-12,15,18,27,31,37H,13-14,16-17,19H2,1H3/t27-,31+,32+,33-/m1/s1
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1.80n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]DADLE from human delta opioid receptor expressed in CHO cells by scintillation counting analysis


J Med Chem 55: 8350-63 (2012)


Article DOI: 10.1021/jm300686p
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50398760
PNG
(CHEMBL2179652)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1ncc(cc1C[C@@]35OCCCc1ccccc1)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C38H37ClN2O3/c39-30-13-10-26(11-14-30)29-19-28-21-38(43-18-4-7-24-5-2-1-3-6-24)32-20-27-12-15-31(42)35-33(27)37(38,36(44-35)34(28)40-22-29)16-17-41(32)23-25-8-9-25/h1-3,5-6,10-15,19,22,25,32,36,42H,4,7-9,16-18,20-21,23H2/t32-,36+,37+,38-/m1/s1
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1.80n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cells by scintillation counting analysis


J Med Chem 55: 8350-63 (2012)


Article DOI: 10.1021/jm300686p
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50398756
PNG
(CHEMBL2179650)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1ncc(cc1C[C@@]35OCc1ccccc1)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C36H33ClN2O3/c37-28-11-8-24(9-12-28)27-16-26-18-36(41-21-23-4-2-1-3-5-23)30-17-25-10-13-29(40)33-31(25)35(36,34(42-33)32(26)38-19-27)14-15-39(30)20-22-6-7-22/h1-5,8-13,16,19,22,30,34,40H,6-7,14-15,17-18,20-21H2/t30-,34+,35+,36-/m1/s1
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1.90n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]DADLE from human delta opioid receptor expressed in CHO cells by scintillation counting analysis


J Med Chem 55: 8350-63 (2012)


Article DOI: 10.1021/jm300686p
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50398765
PNG
(CHEMBL2179649)
Show SMILES CO[C@]12Cc3cc(cnc3[C@@H]3Oc4c5c(C[C@H]1N(CC1CC1)CC[C@@]235)ccc4O)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C30H29ClN2O3/c1-35-30-14-20-12-21(18-4-7-22(31)8-5-18)15-32-26(20)28-29(30)10-11-33(16-17-2-3-17)24(30)13-19-6-9-23(34)27(36-28)25(19)29/h4-9,12,15,17,24,28,34H,2-3,10-11,13-14,16H2,1H3/t24-,28+,29+,30-/m1/s1
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2n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]DADLE from human delta opioid receptor expressed in CHO cells by scintillation counting analysis


J Med Chem 55: 8350-63 (2012)


Article DOI: 10.1021/jm300686p
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50080467
PNG
(5'-(Chlorophenyl)-17-(cyclopropylmethyl) -6,7-dide...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45C(Oc1c24)c1ncc(cc1C[C@@]35O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C29H27ClN2O3/c30-21-6-3-17(4-7-21)20-11-19-13-29(34)23-12-18-5-8-22(33)26-24(18)28(29,27(35-26)25(19)31-14-20)9-10-32(23)15-16-1-2-16/h3-8,11,14,16,23,27,33-34H,1-2,9-10,12-13,15H2/t23-,27?,28+,29-/m1/s1
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2.20n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to delta opioid receptor by radioligand binding assay


J Med Chem 55: 8350-63 (2012)


Article DOI: 10.1021/jm300686p
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50398752
PNG
(CHEMBL2179659)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1ncc(cc1C[C@@]35OC(=O)CCc1ccccc1)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C38H35ClN2O4/c39-29-12-9-25(10-13-29)28-18-27-20-38(45-32(43)15-8-23-4-2-1-3-5-23)31-19-26-11-14-30(42)35-33(26)37(38,36(44-35)34(27)40-21-28)16-17-41(31)22-24-6-7-24/h1-5,9-14,18,21,24,31,36,42H,6-8,15-17,19-20,22H2/t31-,36+,37+,38-/m1/s1
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2.60n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by scintillation counting analysis


J Med Chem 55: 8350-63 (2012)


Article DOI: 10.1021/jm300686p
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50398762
PNG
(CHEMBL2179663)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1ncc(cc1C=C35)-c1ccc(Cl)cc1 |r,t:30|
Show InChI InChI=1S/C29H25ClN2O2/c30-21-6-3-17(4-7-21)20-11-19-12-22-23-13-18-5-8-24(33)27-25(18)29(22,28(34-27)26(19)31-14-20)9-10-32(23)15-16-1-2-16/h3-8,11-12,14,16,23,28,33H,1-2,9-10,13,15H2/t23-,28+,29+/m1/s1
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2.70n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]DADLE from human delta opioid receptor expressed in CHO cells by scintillation counting analysis


J Med Chem 55: 8350-63 (2012)


Article DOI: 10.1021/jm300686p
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50398764
PNG
(CHEMBL2179651)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1ncc(cc1C[C@@]35OC\C=C\c1ccccc1)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C38H35ClN2O3/c39-30-13-10-26(11-14-30)29-19-28-21-38(43-18-4-7-24-5-2-1-3-6-24)32-20-27-12-15-31(42)35-33(27)37(38,36(44-35)34(28)40-22-29)16-17-41(32)23-25-8-9-25/h1-7,10-15,19,22,25,32,36,42H,8-9,16-18,20-21,23H2/b7-4+/t32-,36+,37+,38-/m1/s1
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3n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by scintillation counting analysis


J Med Chem 55: 8350-63 (2012)


Article DOI: 10.1021/jm300686p
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50398753
PNG
(CHEMBL2179658)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1ncc(cc1C[C@@]35OC(=O)Cc1ccccc1)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C37H33ClN2O4/c38-28-11-8-24(9-12-28)27-17-26-19-37(44-31(42)16-22-4-2-1-3-5-22)30-18-25-10-13-29(41)34-32(25)36(37,35(43-34)33(26)39-20-27)14-15-40(30)21-23-6-7-23/h1-5,8-13,17,20,23,30,35,41H,6-7,14-16,18-19,21H2/t30-,35+,36+,37-/m1/s1
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3.10n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cells by scintillation counting analysis


J Med Chem 55: 8350-63 (2012)


Article DOI: 10.1021/jm300686p
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50398764
PNG
(CHEMBL2179651)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1ncc(cc1C[C@@]35OC\C=C\c1ccccc1)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C38H35ClN2O3/c39-30-13-10-26(11-14-30)29-19-28-21-38(43-18-4-7-24-5-2-1-3-6-24)32-20-27-12-15-31(42)35-33(27)37(38,36(44-35)34(28)40-22-29)16-17-41(32)23-25-8-9-25/h1-7,10-15,19,22,25,32,36,42H,8-9,16-18,20-21,23H2/b7-4+/t32-,36+,37+,38-/m1/s1
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3.30n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cells by scintillation counting analysis


J Med Chem 55: 8350-63 (2012)


Article DOI: 10.1021/jm300686p
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50398764
PNG
(CHEMBL2179651)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1ncc(cc1C[C@@]35OC\C=C\c1ccccc1)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C38H35ClN2O3/c39-30-13-10-26(11-14-30)29-19-28-21-38(43-18-4-7-24-5-2-1-3-6-24)32-20-27-12-15-31(42)35-33(27)37(38,36(44-35)34(28)40-22-29)16-17-41(32)23-25-8-9-25/h1-7,10-15,19,22,25,32,36,42H,8-9,16-18,20-21,23H2/b7-4+/t32-,36+,37+,38-/m1/s1
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3.70n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]DADLE from human delta opioid receptor expressed in CHO cells by scintillation counting analysis


J Med Chem 55: 8350-63 (2012)


Article DOI: 10.1021/jm300686p
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50398761
PNG
(CHEMBL611438)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)Cc1cc(cnc41)-c1ccc(Cl)cc1)ccc5O |r|
Show InChI InChI=1S/C26H23ClN2O3/c1-29-9-8-25-21-15-4-7-19(30)23(21)32-24(25)22-16(12-26(25,31)20(29)11-15)10-17(13-28-22)14-2-5-18(27)6-3-14/h2-7,10,13,20,24,30-31H,8-9,11-12H2,1H3/t20-,24+,25+,26-/m1/s1
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3.90n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to delta opioid receptor by radioligand binding assay


J Med Chem 55: 8350-63 (2012)


Article DOI: 10.1021/jm300686p
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50398752
PNG
(CHEMBL2179659)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1ncc(cc1C[C@@]35OC(=O)CCc1ccccc1)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C38H35ClN2O4/c39-29-12-9-25(10-13-29)28-18-27-20-38(45-32(43)15-8-23-4-2-1-3-5-23)31-19-26-11-14-30(42)35-33(26)37(38,36(44-35)34(27)40-21-28)16-17-41(31)22-24-6-7-24/h1-5,9-14,18,21,24,31,36,42H,6-8,15-17,19-20,22H2/t31-,36+,37+,38-/m1/s1
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4.10n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]DADLE from human delta opioid receptor expressed in CHO cells by scintillation counting analysis


J Med Chem 55: 8350-63 (2012)


Article DOI: 10.1021/jm300686p
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50398750
PNG
(CHEMBL2179662)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@]3(Cc1cc(cnc41)-c1ccc(Cl)cc1)OC(=O)CCc1ccccc1)ccc5O |r|
Show InChI InChI=1S/C35H31ClN2O4/c1-38-16-15-34-30-23-10-13-27(39)32(30)41-33(34)31-24(17-25(20-37-31)22-8-11-26(36)12-9-22)19-35(34,28(38)18-23)42-29(40)14-7-21-5-3-2-4-6-21/h2-6,8-13,17,20,28,33,39H,7,14-16,18-19H2,1H3/t28-,33+,34+,35-/m1/s1
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4.40n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cells by scintillation counting analysis


J Med Chem 55: 8350-63 (2012)


Article DOI: 10.1021/jm300686p
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50398754
PNG
(CHEMBL2179654)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@]3(Cc1cc(cnc41)-c1ccc(Cl)cc1)OCc1ccccc1)ccc5O |r|
Show InChI InChI=1S/C33H29ClN2O3/c1-36-14-13-32-28-22-9-12-26(37)30(28)39-31(32)29-23(15-24(18-35-29)21-7-10-25(34)11-8-21)17-33(32,27(36)16-22)38-19-20-5-3-2-4-6-20/h2-12,15,18,27,31,37H,13-14,16-17,19H2,1H3/t27-,31+,32+,33-/m1/s1
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4.70n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by scintillation counting analysis


J Med Chem 55: 8350-63 (2012)


Article DOI: 10.1021/jm300686p
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50398756
PNG
(CHEMBL2179650)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1ncc(cc1C[C@@]35OCc1ccccc1)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C36H33ClN2O3/c37-28-11-8-24(9-12-28)27-16-26-18-36(41-21-23-4-2-1-3-5-23)30-17-25-10-13-29(40)33-31(25)35(36,34(42-33)32(26)38-19-27)14-15-39(30)20-22-6-7-22/h1-5,8-13,16,19,22,30,34,40H,6-7,14-15,17-18,20-21H2/t30-,34+,35+,36-/m1/s1
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5.30n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cells by scintillation counting analysis


J Med Chem 55: 8350-63 (2012)


Article DOI: 10.1021/jm300686p
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50398765
PNG
(CHEMBL2179649)
Show SMILES CO[C@]12Cc3cc(cnc3[C@@H]3Oc4c5c(C[C@H]1N(CC1CC1)CC[C@@]235)ccc4O)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C30H29ClN2O3/c1-35-30-14-20-12-21(18-4-7-22(31)8-5-18)15-32-26(20)28-29(30)10-11-33(16-17-2-3-17)24(30)13-19-6-9-23(34)27(36-28)25(19)29/h4-9,12,15,17,24,28,34H,2-3,10-11,13-14,16H2,1H3/t24-,28+,29+,30-/m1/s1
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5.40n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cells by scintillation counting analysis


J Med Chem 55: 8350-63 (2012)


Article DOI: 10.1021/jm300686p
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50398762
PNG
(CHEMBL2179663)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1ncc(cc1C=C35)-c1ccc(Cl)cc1 |r,t:30|
Show InChI InChI=1S/C29H25ClN2O2/c30-21-6-3-17(4-7-21)20-11-19-12-22-23-13-18-5-8-24(33)27-25(18)29(22,28(34-27)26(19)31-14-20)9-10-32(23)15-16-1-2-16/h3-8,11-12,14,16,23,28,33H,1-2,9-10,13,15H2/t23-,28+,29+/m1/s1
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6n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cells by scintillation counting analysis


J Med Chem 55: 8350-63 (2012)


Article DOI: 10.1021/jm300686p
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50398755
PNG
(CHEMBL2179653)
Show SMILES CO[C@]12Cc3cc(cnc3[C@@H]3Oc4c5c(C[C@H]1N(C)CC[C@@]235)ccc4O)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C27H25ClN2O3/c1-30-10-9-26-22-16-5-8-20(31)24(22)33-25(26)23-17(13-27(26,32-2)21(30)12-16)11-18(14-29-23)15-3-6-19(28)7-4-15/h3-8,11,14,21,25,31H,9-10,12-13H2,1-2H3/t21-,25+,26+,27-/m1/s1
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7.90n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by scintillation counting analysis


J Med Chem 55: 8350-63 (2012)


Article DOI: 10.1021/jm300686p
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50398756
PNG
(CHEMBL2179650)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1ncc(cc1C[C@@]35OCc1ccccc1)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C36H33ClN2O3/c37-28-11-8-24(9-12-28)27-16-26-18-36(41-21-23-4-2-1-3-5-23)30-17-25-10-13-29(40)33-31(25)35(36,34(42-33)32(26)38-19-27)14-15-39(30)20-22-6-7-22/h1-5,8-13,16,19,22,30,34,40H,6-7,14-15,17-18,20-21H2/t30-,34+,35+,36-/m1/s1
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8.40n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by scintillation counting analysis


J Med Chem 55: 8350-63 (2012)


Article DOI: 10.1021/jm300686p
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50398752
PNG
(CHEMBL2179659)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1ncc(cc1C[C@@]35OC(=O)CCc1ccccc1)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C38H35ClN2O4/c39-29-12-9-25(10-13-29)28-18-27-20-38(45-32(43)15-8-23-4-2-1-3-5-23)31-19-26-11-14-30(42)35-33(26)37(38,36(44-35)34(27)40-21-28)16-17-41(31)22-24-6-7-24/h1-5,9-14,18,21,24,31,36,42H,6-8,15-17,19-20,22H2/t31-,36+,37+,38-/m1/s1
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12n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cells by scintillation counting analysis


J Med Chem 55: 8350-63 (2012)


Article DOI: 10.1021/jm300686p
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50398762
PNG
(CHEMBL2179663)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1ncc(cc1C=C35)-c1ccc(Cl)cc1 |r,t:30|
Show InChI InChI=1S/C29H25ClN2O2/c30-21-6-3-17(4-7-21)20-11-19-12-22-23-13-18-5-8-24(33)27-25(18)29(22,28(34-27)26(19)31-14-20)9-10-32(23)15-16-1-2-16/h3-8,11-12,14,16,23,28,33H,1-2,9-10,13,15H2/t23-,28+,29+/m1/s1
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13n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by scintillation counting analysis


J Med Chem 55: 8350-63 (2012)


Article DOI: 10.1021/jm300686p
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50398757
PNG
(CHEMBL2179660)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@]3(Cc1cc(cnc41)-c1ccc(Cl)cc1)OC(=O)c1ccccc1)ccc5O |r|
Show InChI InChI=1S/C33H27ClN2O4/c1-36-14-13-32-27-21-9-12-25(37)29(27)39-30(32)28-22(15-23(18-35-28)19-7-10-24(34)11-8-19)17-33(32,26(36)16-21)40-31(38)20-5-3-2-4-6-20/h2-12,15,18,26,30,37H,13-14,16-17H2,1H3/t26-,30+,32+,33-/m1/s1
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17n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]DADLE from human delta opioid receptor expressed in CHO cells by scintillation counting analysis


J Med Chem 55: 8350-63 (2012)


Article DOI: 10.1021/jm300686p
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50398751
PNG
(CHEMBL2179661)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@]3(Cc1cc(cnc41)-c1ccc(Cl)cc1)OC(=O)Cc1ccccc1)ccc5O |r|
Show InChI InChI=1S/C34H29ClN2O4/c1-37-14-13-33-29-22-9-12-26(38)31(29)40-32(33)30-23(16-24(19-36-30)21-7-10-25(35)11-8-21)18-34(33,27(37)17-22)41-28(39)15-20-5-3-2-4-6-20/h2-12,16,19,27,32,38H,13-15,17-18H2,1H3/t27-,32+,33+,34-/m1/s1
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17n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cells by scintillation counting analysis


J Med Chem 55: 8350-63 (2012)


Article DOI: 10.1021/jm300686p
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50080467
PNG
(5'-(Chlorophenyl)-17-(cyclopropylmethyl) -6,7-dide...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45C(Oc1c24)c1ncc(cc1C[C@@]35O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C29H27ClN2O3/c30-21-6-3-17(4-7-21)20-11-19-13-29(34)23-12-18-5-8-22(33)26-24(18)28(29,27(35-26)25(19)31-14-20)9-10-32(23)15-16-1-2-16/h3-8,11,14,16,23,27,33-34H,1-2,9-10,12-13,15H2/t23-,27?,28+,29-/m1/s1
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20n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to kappa opioid receptor by radioligand binding assay


J Med Chem 55: 8350-63 (2012)


Article DOI: 10.1021/jm300686p
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50398755
PNG
(CHEMBL2179653)
Show SMILES CO[C@]12Cc3cc(cnc3[C@@H]3Oc4c5c(C[C@H]1N(C)CC[C@@]235)ccc4O)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C27H25ClN2O3/c1-30-10-9-26-22-16-5-8-20(31)24(22)33-25(26)23-17(13-27(26,32-2)21(30)12-16)11-18(14-29-23)15-3-6-19(28)7-4-15/h3-8,11,14,21,25,31H,9-10,12-13H2,1-2H3/t21-,25+,26+,27-/m1/s1
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28n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cells by scintillation counting analysis


J Med Chem 55: 8350-63 (2012)


Article DOI: 10.1021/jm300686p
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50398765
PNG
(CHEMBL2179649)
Show SMILES CO[C@]12Cc3cc(cnc3[C@@H]3Oc4c5c(C[C@H]1N(CC1CC1)CC[C@@]235)ccc4O)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C30H29ClN2O3/c1-35-30-14-20-12-21(18-4-7-22(31)8-5-18)15-32-26(20)28-29(30)10-11-33(16-17-2-3-17)24(30)13-19-6-9-23(34)27(36-28)25(19)29/h4-9,12,15,17,24,28,34H,2-3,10-11,13-14,16H2,1H3/t24-,28+,29+,30-/m1/s1
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42n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by scintillation counting analysis


J Med Chem 55: 8350-63 (2012)


Article DOI: 10.1021/jm300686p
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50398754
PNG
(CHEMBL2179654)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@]3(Cc1cc(cnc41)-c1ccc(Cl)cc1)OCc1ccccc1)ccc5O |r|
Show InChI InChI=1S/C33H29ClN2O3/c1-36-14-13-32-28-22-9-12-26(37)30(28)39-31(32)29-23(15-24(18-35-29)21-7-10-25(34)11-8-21)17-33(32,27(36)16-22)38-19-20-5-3-2-4-6-20/h2-12,15,18,27,31,37H,13-14,16-17,19H2,1H3/t27-,31+,32+,33-/m1/s1
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49n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cells by scintillation counting analysis


J Med Chem 55: 8350-63 (2012)


Article DOI: 10.1021/jm300686p
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50080467
PNG
(5'-(Chlorophenyl)-17-(cyclopropylmethyl) -6,7-dide...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45C(Oc1c24)c1ncc(cc1C[C@@]35O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C29H27ClN2O3/c30-21-6-3-17(4-7-21)20-11-19-13-29(34)23-12-18-5-8-22(33)26-24(18)28(29,27(35-26)25(19)31-14-20)9-10-32(23)15-16-1-2-16/h3-8,11,14,16,23,27,33-34H,1-2,9-10,12-13,15H2/t23-,27?,28+,29-/m1/s1
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51n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to mu opioid receptor by radioligand binding assay


J Med Chem 55: 8350-63 (2012)


Article DOI: 10.1021/jm300686p
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50398757
PNG
(CHEMBL2179660)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@]3(Cc1cc(cnc41)-c1ccc(Cl)cc1)OC(=O)c1ccccc1)ccc5O |r|
Show InChI InChI=1S/C33H27ClN2O4/c1-36-14-13-32-27-21-9-12-25(37)29(27)39-30(32)28-22(15-23(18-35-28)19-7-10-24(34)11-8-19)17-33(32,26(36)16-21)40-31(38)20-5-3-2-4-6-20/h2-12,15,18,26,30,37H,13-14,16-17H2,1H3/t26-,30+,32+,33-/m1/s1
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84n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by scintillation counting analysis


J Med Chem 55: 8350-63 (2012)


Article DOI: 10.1021/jm300686p
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50398763
PNG
(CHEMBL2179657)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1ncc(cc1C[C@@]35OC(=O)c1ccccc1)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C36H31ClN2O4/c37-27-11-8-22(9-12-27)26-16-25-18-36(43-34(41)23-4-2-1-3-5-23)29-17-24-10-13-28(40)32-30(24)35(36,33(42-32)31(25)38-19-26)14-15-39(29)20-21-6-7-21/h1-5,8-13,16,19,21,29,33,40H,6-7,14-15,17-18,20H2/t29-,33+,35+,36-/m1/s1
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87n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]DADLE from human delta opioid receptor expressed in CHO cells by scintillation counting analysis


J Med Chem 55: 8350-63 (2012)


Article DOI: 10.1021/jm300686p
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50398757
PNG
(CHEMBL2179660)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@]3(Cc1cc(cnc41)-c1ccc(Cl)cc1)OC(=O)c1ccccc1)ccc5O |r|
Show InChI InChI=1S/C33H27ClN2O4/c1-36-14-13-32-27-21-9-12-25(37)29(27)39-30(32)28-22(15-23(18-35-28)19-7-10-24(34)11-8-19)17-33(32,26(36)16-21)40-31(38)20-5-3-2-4-6-20/h2-12,15,18,26,30,37H,13-14,16-17H2,1H3/t26-,30+,32+,33-/m1/s1
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112n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cells by scintillation counting analysis


J Med Chem 55: 8350-63 (2012)


Article DOI: 10.1021/jm300686p
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50398763
PNG
(CHEMBL2179657)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1ncc(cc1C[C@@]35OC(=O)c1ccccc1)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C36H31ClN2O4/c37-27-11-8-22(9-12-27)26-16-25-18-36(43-34(41)23-4-2-1-3-5-23)29-17-24-10-13-28(40)32-30(24)35(36,33(42-32)31(25)38-19-26)14-15-39(29)20-21-6-7-21/h1-5,8-13,16,19,21,29,33,40H,6-7,14-15,17-18,20H2/t29-,33+,35+,36-/m1/s1
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117n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cells by scintillation counting analysis


J Med Chem 55: 8350-63 (2012)


Article DOI: 10.1021/jm300686p
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50398763
PNG
(CHEMBL2179657)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1ncc(cc1C[C@@]35OC(=O)c1ccccc1)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C36H31ClN2O4/c37-27-11-8-22(9-12-27)26-16-25-18-36(43-34(41)23-4-2-1-3-5-23)29-17-24-10-13-28(40)32-30(24)35(36,33(42-32)31(25)38-19-26)14-15-39(29)20-21-6-7-21/h1-5,8-13,16,19,21,29,33,40H,6-7,14-15,17-18,20H2/t29-,33+,35+,36-/m1/s1
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192n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by scintillation counting analysis


J Med Chem 55: 8350-63 (2012)


Article DOI: 10.1021/jm300686p
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50398761
PNG
(CHEMBL611438)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)Cc1cc(cnc41)-c1ccc(Cl)cc1)ccc5O |r|
Show InChI InChI=1S/C26H23ClN2O3/c1-29-9-8-25-21-15-4-7-19(30)23(21)32-24(25)22-16(12-26(25,31)20(29)11-15)10-17(13-28-22)14-2-5-18(27)6-3-14/h2-7,10,13,20,24,30-31H,8-9,11-12H2,1H3/t20-,24+,25+,26-/m1/s1
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230n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to mu opioid receptor by radioligand binding assay


J Med Chem 55: 8350-63 (2012)


Article DOI: 10.1021/jm300686p
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50398761
PNG
(CHEMBL611438)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)Cc1cc(cnc41)-c1ccc(Cl)cc1)ccc5O |r|
Show InChI InChI=1S/C26H23ClN2O3/c1-29-9-8-25-21-15-4-7-19(30)23(21)32-24(25)22-16(12-26(25,31)20(29)11-15)10-17(13-28-22)14-2-5-18(27)6-3-14/h2-7,10,13,20,24,30-31H,8-9,11-12H2,1H3/t20-,24+,25+,26-/m1/s1
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468n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to kappa opioid receptor by radioligand binding assay


J Med Chem 55: 8350-63 (2012)


Article DOI: 10.1021/jm300686p
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50398750
PNG
(CHEMBL2179662)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@]3(Cc1cc(cnc41)-c1ccc(Cl)cc1)OC(=O)CCc1ccccc1)ccc5O |r|
Show InChI InChI=1S/C35H31ClN2O4/c1-38-16-15-34-30-23-10-13-27(39)32(30)41-33(34)31-24(17-25(20-37-31)22-8-11-26(36)12-9-22)19-35(34,28(38)18-23)42-29(40)14-7-21-5-3-2-4-6-21/h2-6,8-13,17,20,28,33,39H,7,14-16,18-19H2,1H3/t28-,33+,34+,35-/m1/s1
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n/an/an/an/a 5.5n/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at delta opioid receptor expressed in rat/mouse NG108-15 cells assessed as [35S]GTPgammaS binding by scintillation counting analysis


J Med Chem 55: 8350-63 (2012)


Article DOI: 10.1021/jm300686p
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50398758
PNG
(CHEMBL2179656)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@]3(Cc1cc(cnc41)-c1ccc(Cl)cc1)OCCCc1ccccc1)ccc5O |r|
Show InChI InChI=1S/C35H33ClN2O3/c1-38-16-15-34-30-24-11-14-28(39)32(30)41-33(34)31-25(18-26(21-37-31)23-9-12-27(36)13-10-23)20-35(34,29(38)19-24)40-17-5-8-22-6-3-2-4-7-22/h2-4,6-7,9-14,18,21,29,33,39H,5,8,15-17,19-20H2,1H3/t29-,33+,34+,35-/m1/s1
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n/an/an/an/a 2.20n/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by scintillation counting analysis


J Med Chem 55: 8350-63 (2012)


Article DOI: 10.1021/jm300686p
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50398751
PNG
(CHEMBL2179661)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@]3(Cc1cc(cnc41)-c1ccc(Cl)cc1)OC(=O)Cc1ccccc1)ccc5O |r|
Show InChI InChI=1S/C34H29ClN2O4/c1-37-14-13-33-29-22-9-12-26(38)31(29)40-32(33)30-23(16-24(19-36-30)21-7-10-25(35)11-8-21)18-34(33,27(37)17-22)41-28(39)15-20-5-3-2-4-6-20/h2-12,16,19,27,32,38H,13-15,17-18H2,1H3/t27-,32+,33+,34-/m1/s1
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n/an/an/an/a 109n/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by scintillation counting analysis


J Med Chem 55: 8350-63 (2012)


Article DOI: 10.1021/jm300686p
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50398751
PNG
(CHEMBL2179661)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@]3(Cc1cc(cnc41)-c1ccc(Cl)cc1)OC(=O)Cc1ccccc1)ccc5O |r|
Show InChI InChI=1S/C34H29ClN2O4/c1-37-14-13-33-29-22-9-12-26(38)31(29)40-32(33)30-23(16-24(19-36-30)21-7-10-25(35)11-8-21)18-34(33,27(37)17-22)41-28(39)15-20-5-3-2-4-6-20/h2-12,16,19,27,32,38H,13-15,17-18H2,1H3/t27-,32+,33+,34-/m1/s1
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n/an/an/an/a 87n/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by scintillation counting analysis


J Med Chem 55: 8350-63 (2012)


Article DOI: 10.1021/jm300686p
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50398754
PNG
(CHEMBL2179654)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@]3(Cc1cc(cnc41)-c1ccc(Cl)cc1)OCc1ccccc1)ccc5O |r|
Show InChI InChI=1S/C33H29ClN2O3/c1-36-14-13-32-28-22-9-12-26(37)30(28)39-31(32)29-23(15-24(18-35-29)21-7-10-25(34)11-8-21)17-33(32,27(36)16-22)38-19-20-5-3-2-4-6-20/h2-12,15,18,27,31,37H,13-14,16-17,19H2,1H3/t27-,31+,32+,33-/m1/s1
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n/an/an/an/a 301n/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by scintillation counting analysis


J Med Chem 55: 8350-63 (2012)


Article DOI: 10.1021/jm300686p
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50398751
PNG
(CHEMBL2179661)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@]3(Cc1cc(cnc41)-c1ccc(Cl)cc1)OC(=O)Cc1ccccc1)ccc5O |r|
Show InChI InChI=1S/C34H29ClN2O4/c1-37-14-13-33-29-22-9-12-26(38)31(29)40-32(33)30-23(16-24(19-36-30)21-7-10-25(35)11-8-21)18-34(33,27(37)17-22)41-28(39)15-20-5-3-2-4-6-20/h2-12,16,19,27,32,38H,13-15,17-18H2,1H3/t27-,32+,33+,34-/m1/s1
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n/an/an/an/a 19n/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at delta opioid receptor expressed in rat/mouse NG108-15 cells assessed as [35S]GTPgammaS binding by scintillation counting analysis


J Med Chem 55: 8350-63 (2012)


Article DOI: 10.1021/jm300686p
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50398758
PNG
(CHEMBL2179656)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@]3(Cc1cc(cnc41)-c1ccc(Cl)cc1)OCCCc1ccccc1)ccc5O |r|
Show InChI InChI=1S/C35H33ClN2O3/c1-38-16-15-34-30-24-11-14-28(39)32(30)41-33(34)31-25(18-26(21-37-31)23-9-12-27(36)13-10-23)20-35(34,29(38)19-24)40-17-5-8-22-6-3-2-4-7-22/h2-4,6-7,9-14,18,21,29,33,39H,5,8,15-17,19-20H2,1H3/t29-,33+,34+,35-/m1/s1
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n/an/an/an/a 0.270n/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at delta opioid receptor expressed in rat/mouse NG108-15 cells assessed as [35S]GTPgammaS binding by scintillation counting analysis


J Med Chem 55: 8350-63 (2012)


Article DOI: 10.1021/jm300686p
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50398754
PNG
(CHEMBL2179654)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@]3(Cc1cc(cnc41)-c1ccc(Cl)cc1)OCc1ccccc1)ccc5O |r|
Show InChI InChI=1S/C33H29ClN2O3/c1-36-14-13-32-28-22-9-12-26(37)30(28)39-31(32)29-23(15-24(18-35-29)21-7-10-25(34)11-8-21)17-33(32,27(36)16-22)38-19-20-5-3-2-4-6-20/h2-12,15,18,27,31,37H,13-14,16-17,19H2,1H3/t27-,31+,32+,33-/m1/s1
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n/an/an/an/a 11n/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at delta opioid receptor expressed in rat/mouse NG108-15 cells assessed as [35S]GTPgammaS binding by scintillation counting analysis


J Med Chem 55: 8350-63 (2012)


Article DOI: 10.1021/jm300686p
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50398757
PNG
(CHEMBL2179660)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@]3(Cc1cc(cnc41)-c1ccc(Cl)cc1)OC(=O)c1ccccc1)ccc5O |r|
Show InChI InChI=1S/C33H27ClN2O4/c1-36-14-13-32-27-21-9-12-25(37)29(27)39-30(32)28-22(15-23(18-35-28)19-7-10-24(34)11-8-19)17-33(32,26(36)16-21)40-31(38)20-5-3-2-4-6-20/h2-12,15,18,26,30,37H,13-14,16-17H2,1H3/t26-,30+,32+,33-/m1/s1
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n/an/an/an/a 4.62E+3n/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by scintillation counting analysis


J Med Chem 55: 8350-63 (2012)


Article DOI: 10.1021/jm300686p
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50398750
PNG
(CHEMBL2179662)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@]3(Cc1cc(cnc41)-c1ccc(Cl)cc1)OC(=O)CCc1ccccc1)ccc5O |r|
Show InChI InChI=1S/C35H31ClN2O4/c1-38-16-15-34-30-23-10-13-27(39)32(30)41-33(34)31-24(17-25(20-37-31)22-8-11-26(36)12-9-22)19-35(34,28(38)18-23)42-29(40)14-7-21-5-3-2-4-6-21/h2-6,8-13,17,20,28,33,39H,7,14-16,18-19H2,1H3/t28-,33+,34+,35-/m1/s1
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n/an/an/an/a 136n/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by scintillation counting analysis


J Med Chem 55: 8350-63 (2012)


Article DOI: 10.1021/jm300686p
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50398756
PNG
(CHEMBL2179650)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1ncc(cc1C[C@@]35OCc1ccccc1)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C36H33ClN2O3/c37-28-11-8-24(9-12-28)27-16-26-18-36(41-21-23-4-2-1-3-5-23)30-17-25-10-13-29(40)33-31(25)35(36,34(42-33)32(26)38-19-27)14-15-39(30)20-22-6-7-22/h1-5,8-13,16,19,22,30,34,40H,6-7,14-15,17-18,20-21H2/t30-,34+,35+,36-/m1/s1
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n/an/an/an/a 27n/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by scintillation counting analysis


J Med Chem 55: 8350-63 (2012)


Article DOI: 10.1021/jm300686p
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50398755
PNG
(CHEMBL2179653)
Show SMILES CO[C@]12Cc3cc(cnc3[C@@H]3Oc4c5c(C[C@H]1N(C)CC[C@@]235)ccc4O)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C27H25ClN2O3/c1-30-10-9-26-22-16-5-8-20(31)24(22)33-25(26)23-17(13-27(26,32-2)21(30)12-16)11-18(14-29-23)15-3-6-19(28)7-4-15/h3-8,11,14,21,25,31H,9-10,12-13H2,1-2H3/t21-,25+,26+,27-/m1/s1
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n/an/an/an/a 633n/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by scintillation counting analysis


J Med Chem 55: 8350-63 (2012)


Article DOI: 10.1021/jm300686p
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50398754
PNG
(CHEMBL2179654)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@]3(Cc1cc(cnc41)-c1ccc(Cl)cc1)OCc1ccccc1)ccc5O |r|
Show InChI InChI=1S/C33H29ClN2O3/c1-36-14-13-32-28-22-9-12-26(37)30(28)39-31(32)29-23(15-24(18-35-29)21-7-10-25(34)11-8-21)17-33(32,27(36)16-22)38-19-20-5-3-2-4-6-20/h2-12,15,18,27,31,37H,13-14,16-17,19H2,1H3/t27-,31+,32+,33-/m1/s1
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n/an/an/an/a 215n/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by scintillation counting analysis


J Med Chem 55: 8350-63 (2012)


Article DOI: 10.1021/jm300686p
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50398753
PNG
(CHEMBL2179658)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1ncc(cc1C[C@@]35OC(=O)Cc1ccccc1)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C37H33ClN2O4/c38-28-11-8-24(9-12-28)27-17-26-19-37(44-31(42)16-22-4-2-1-3-5-22)30-18-25-10-13-29(41)34-32(25)36(37,35(43-34)33(26)39-20-27)14-15-40(30)21-23-6-7-23/h1-5,8-13,17,20,23,30,35,41H,6-7,14-16,18-19,21H2/t30-,35+,36+,37-/m1/s1
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n/an/an/an/a 26n/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by scintillation counting analysis


J Med Chem 55: 8350-63 (2012)


Article DOI: 10.1021/jm300686p
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50398759
PNG
(CHEMBL2179655)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@]3(Cc1cc(cnc41)-c1ccc(Cl)cc1)OC\C=C\c1ccccc1)ccc5O |r|
Show InChI InChI=1S/C35H31ClN2O3/c1-38-16-15-34-30-24-11-14-28(39)32(30)41-33(34)31-25(18-26(21-37-31)23-9-12-27(36)13-10-23)20-35(34,29(38)19-24)40-17-5-8-22-6-3-2-4-7-22/h2-14,18,21,29,33,39H,15-17,19-20H2,1H3/b8-5+/t29-,33+,34+,35-/m1/s1
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n/an/an/an/a 4.30n/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by scintillation counting analysis


J Med Chem 55: 8350-63 (2012)


Article DOI: 10.1021/jm300686p
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50398750
PNG
(CHEMBL2179662)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@]3(Cc1cc(cnc41)-c1ccc(Cl)cc1)OC(=O)CCc1ccccc1)ccc5O |r|
Show InChI InChI=1S/C35H31ClN2O4/c1-38-16-15-34-30-23-10-13-27(39)32(30)41-33(34)31-24(17-25(20-37-31)22-8-11-26(36)12-9-22)19-35(34,28(38)18-23)42-29(40)14-7-21-5-3-2-4-6-21/h2-6,8-13,17,20,28,33,39H,7,14-16,18-19H2,1H3/t28-,33+,34+,35-/m1/s1
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n/an/an/an/a 48n/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by scintillation counting analysis


J Med Chem 55: 8350-63 (2012)


Article DOI: 10.1021/jm300686p
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50398752
PNG
(CHEMBL2179659)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1ncc(cc1C[C@@]35OC(=O)CCc1ccccc1)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C38H35ClN2O4/c39-29-12-9-25(10-13-29)28-18-27-20-38(45-32(43)15-8-23-4-2-1-3-5-23)31-19-26-11-14-30(42)35-33(26)37(38,36(44-35)34(27)40-21-28)16-17-41(31)22-24-6-7-24/h1-5,9-14,18,21,24,31,36,42H,6-8,15-17,19-20,22H2/t31-,36+,37+,38-/m1/s1
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n/an/an/an/a 13n/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by scintillation counting analysis


J Med Chem 55: 8350-63 (2012)


Article DOI: 10.1021/jm300686p
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50398760
PNG
(CHEMBL2179652)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1ncc(cc1C[C@@]35OCCCc1ccccc1)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C38H37ClN2O3/c39-30-13-10-26(11-14-30)29-19-28-21-38(43-18-4-7-24-5-2-1-3-6-24)32-20-27-12-15-31(42)35-33(27)37(38,36(44-35)34(28)40-22-29)16-17-41(32)23-25-8-9-25/h1-3,5-6,10-15,19,22,25,32,36,42H,4,7-9,16-18,20-21,23H2/t32-,36+,37+,38-/m1/s1
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n/an/an/an/a 1.70n/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by scintillation counting analysis


J Med Chem 55: 8350-63 (2012)


Article DOI: 10.1021/jm300686p
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50398759
PNG
(CHEMBL2179655)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@]3(Cc1cc(cnc41)-c1ccc(Cl)cc1)OC\C=C\c1ccccc1)ccc5O |r|
Show InChI InChI=1S/C35H31ClN2O3/c1-38-16-15-34-30-24-11-14-28(39)32(30)41-33(34)31-25(18-26(21-37-31)23-9-12-27(36)13-10-23)20-35(34,29(38)19-24)40-17-5-8-22-6-3-2-4-7-22/h2-14,18,21,29,33,39H,15-17,19-20H2,1H3/b8-5+/t29-,33+,34+,35-/m1/s1
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n/an/an/an/a 0.590n/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at delta opioid receptor expressed in rat/mouse NG108-15 cells assessed as [35S]GTPgammaS binding by scintillation counting analysis


J Med Chem 55: 8350-63 (2012)


Article DOI: 10.1021/jm300686p
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50398755
PNG
(CHEMBL2179653)
Show SMILES CO[C@]12Cc3cc(cnc3[C@@H]3Oc4c5c(C[C@H]1N(C)CC[C@@]235)ccc4O)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C27H25ClN2O3/c1-30-10-9-26-22-16-5-8-20(31)24(22)33-25(26)23-17(13-27(26,32-2)21(30)12-16)11-18(14-29-23)15-3-6-19(28)7-4-15/h3-8,11,14,21,25,31H,9-10,12-13H2,1-2H3/t21-,25+,26+,27-/m1/s1
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n/an/an/an/a 379n/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by scintillation counting analysis


J Med Chem 55: 8350-63 (2012)


Article DOI: 10.1021/jm300686p
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%