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Compile Data Set for Download or QSAR

Found 128 hits with Last Name = 'chen' and Initial = 'lc'   
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))
BDBM50292914
PNG
(17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5r-epoxy...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1cnc2ccccc2c1 |r|
Show InChI InChI=1S/C30H31N3O4/c34-23-8-7-19-14-24-30(36)10-9-22(32-28(35)20-13-18-3-1-2-4-21(18)31-15-20)27-29(30,25(19)26(23)37-27)11-12-33(24)16-17-5-6-17/h1-4,7-8,13,15,17,22,24,27,34,36H,5-6,9-12,14,16H2,(H,32,35)/t22-,24-,27+,29+,30-/m1/s1
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0.0700n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Activity at monocloned mu opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay


J Med Chem 52: 1416-27 (2010)


Article DOI: 10.1021/jm801272c
BindingDB Entry DOI: 10.7270/Q2416XZ6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50292918
PNG
(17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5r-epoxy...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1cc2ccccc2cn1 |r|
Show InChI InChI=1S/C30H31N3O4/c34-23-8-7-19-14-24-30(36)10-9-21(32-28(35)22-13-18-3-1-2-4-20(18)15-31-22)27-29(30,25(19)26(23)37-27)11-12-33(24)16-17-5-6-17/h1-4,7-8,13,15,17,21,24,27,34,36H,5-6,9-12,14,16H2,(H,32,35)/t21-,24-,27+,29+,30-/m1/s1
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0.100n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]naloxone from monocloned mu opioid receptor expressed in CHO cells


J Med Chem 52: 1416-27 (2010)


Article DOI: 10.1021/jm801272c
BindingDB Entry DOI: 10.7270/Q2416XZ6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50292916
PNG
(17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5r-epoxy...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccc2ccccc2n1 |r|
Show InChI InChI=1S/C30H31N3O4/c34-23-10-8-19-15-24-30(36)12-11-21(32-28(35)22-9-7-18-3-1-2-4-20(18)31-22)27-29(30,25(19)26(23)37-27)13-14-33(24)16-17-5-6-17/h1-4,7-10,17,21,24,27,34,36H,5-6,11-16H2,(H,32,35)/t21-,24-,27+,29+,30-/m1/s1
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0.110n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]naloxone from monocloned mu opioid receptor expressed in CHO cells


J Med Chem 52: 1416-27 (2010)


Article DOI: 10.1021/jm801272c
BindingDB Entry DOI: 10.7270/Q2416XZ6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50292915
PNG
(17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5r-epoxy...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@H](CC[C@@]35O)NC(=O)c1cnc2ccccc2c1 |r|
Show InChI InChI=1S/C30H31N3O4/c34-23-8-7-19-14-24-30(36)10-9-22(32-28(35)20-13-18-3-1-2-4-21(18)31-15-20)27-29(30,25(19)26(23)37-27)11-12-33(24)16-17-5-6-17/h1-4,7-8,13,15,17,22,24,27,34,36H,5-6,9-12,14,16H2,(H,32,35)/t22-,24+,27-,29-,30+/m0/s1
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0.120n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Activity at monocloned mu opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay


J Med Chem 52: 1416-27 (2010)


Article DOI: 10.1021/jm801272c
BindingDB Entry DOI: 10.7270/Q2416XZ6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50292922
PNG
(17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5r-epoxy...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1cccnc1 |r|
Show InChI InChI=1S/C26H29N3O4/c30-19-6-5-16-12-20-26(32)8-7-18(28-24(31)17-2-1-10-27-13-17)23-25(26,21(16)22(19)33-23)9-11-29(20)14-15-3-4-15/h1-2,5-6,10,13,15,18,20,23,30,32H,3-4,7-9,11-12,14H2,(H,28,31)/t18-,20-,23+,25+,26-/m1/s1
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0.140n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Activity at monocloned mu opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay


J Med Chem 52: 1416-27 (2010)


Article DOI: 10.1021/jm801272c
BindingDB Entry DOI: 10.7270/Q2416XZ6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50266857
PNG
((1S,5R,13R,17S)-4-(cyclopropylmethyl)-10-hydroxy-1...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35OC(=O)c1ccccn1 |r|
Show InChI InChI=1S/C26H26N2O5/c29-18-7-6-16-13-20-26(33-24(31)17-3-1-2-11-27-17)9-8-19(30)23-25(26,21(16)22(18)32-23)10-12-28(20)14-15-4-5-15/h1-3,6-7,11,15,20,23,29H,4-5,8-10,12-14H2/t20-,23+,25+,26-/m1/s1
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0.140n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 1825-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.093
BindingDB Entry DOI: 10.7270/Q2GX4CH2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50292923
PNG
(17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5r-epoxy...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@H](CC[C@@]35O)NC(=O)c1cccnc1 |r|
Show InChI InChI=1S/C26H29N3O4/c30-19-6-5-16-12-20-26(32)8-7-18(28-24(31)17-2-1-10-27-13-17)23-25(26,21(16)22(19)33-23)9-11-29(20)14-15-3-4-15/h1-2,5-6,10,13,15,18,20,23,30,32H,3-4,7-9,11-12,14H2,(H,28,31)/t18-,20+,23-,25-,26+/m0/s1
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0.150n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Activity at monocloned mu opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay


J Med Chem 52: 1416-27 (2010)


Article DOI: 10.1021/jm801272c
BindingDB Entry DOI: 10.7270/Q2416XZ6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50292917
PNG
(17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5r-epoxy...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@H](CC[C@@]35O)NC(=O)c1ccc2ccccc2n1 |r|
Show InChI InChI=1S/C30H31N3O4/c34-23-10-8-19-15-24-30(36)12-11-21(32-28(35)22-9-7-18-3-1-2-4-20(18)31-22)27-29(30,25(19)26(23)37-27)13-14-33(24)16-17-5-6-17/h1-4,7-10,17,21,24,27,34,36H,5-6,11-16H2,(H,32,35)/t21-,24+,27-,29-,30+/m0/s1
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0.210n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]naloxone from monocloned mu opioid receptor expressed in CHO cells


J Med Chem 52: 1416-27 (2010)


Article DOI: 10.1021/jm801272c
BindingDB Entry DOI: 10.7270/Q2416XZ6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM60212
PNG
((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1
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0.260n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 1825-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.093
BindingDB Entry DOI: 10.7270/Q2GX4CH2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM60212
PNG
((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1
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0.260n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]naloxone from monocloned mu opioid receptor expressed in CHO cells


J Med Chem 52: 1416-27 (2010)


Article DOI: 10.1021/jm801272c
BindingDB Entry DOI: 10.7270/Q2416XZ6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50292920
PNG
(17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5r-epoxy...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccncc1 |r|
Show InChI InChI=1S/C26H29N3O4/c30-19-4-3-17-13-20-26(32)8-5-18(28-24(31)16-6-10-27-11-7-16)23-25(26,21(17)22(19)33-23)9-12-29(20)14-15-1-2-15/h3-4,6-7,10-11,15,18,20,23,30,32H,1-2,5,8-9,12-14H2,(H,28,31)/t18-,20-,23+,25+,26-/m1/s1
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0.370n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]naloxone from monocloned mu opioid receptor expressed in CHO cells


J Med Chem 52: 1416-27 (2010)


Article DOI: 10.1021/jm801272c
BindingDB Entry DOI: 10.7270/Q2416XZ6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50247803
PNG
(Beta-Funeltrexamine | CHEMBL473136 | beta-funaltre...)
Show SMILES COC(=O)\C=C\C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r|
Show InChI InChI=1S/C25H30N2O6/c1-32-20(30)7-6-19(29)26-16-8-9-25(31)18-12-15-4-5-17(28)22-21(15)24(25,23(16)33-22)10-11-27(18)13-14-2-3-14/h4-7,14,16,18,23,28,31H,2-3,8-13H2,1H3,(H,26,29)/b7-6+/t16-,18-,23+,24+,25-/m1/s1
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0.410n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 1825-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.093
BindingDB Entry DOI: 10.7270/Q2GX4CH2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50247803
PNG
(Beta-Funeltrexamine | CHEMBL473136 | beta-funaltre...)
Show SMILES COC(=O)\C=C\C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r|
Show InChI InChI=1S/C25H30N2O6/c1-32-20(30)7-6-19(29)26-16-8-9-25(31)18-12-15-4-5-17(28)22-21(15)24(25,23(16)33-22)10-11-27(18)13-14-2-3-14/h4-7,14,16,18,23,28,31H,2-3,8-13H2,1H3,(H,26,29)/b7-6+/t16-,18-,23+,24+,25-/m1/s1
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0.410n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Activity at monocloned mu opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay


J Med Chem 52: 1416-27 (2010)


Article DOI: 10.1021/jm801272c
BindingDB Entry DOI: 10.7270/Q2416XZ6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50292921
PNG
(17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5r-epoxy...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@H](CC[C@@]35O)NC(=O)c1ccncc1 |r|
Show InChI InChI=1S/C26H29N3O4/c30-19-4-3-17-13-20-26(32)8-5-18(28-24(31)16-6-10-27-11-7-16)23-25(26,21(17)22(19)33-23)9-12-29(20)14-15-1-2-15/h3-4,6-7,10-11,15,18,20,23,30,32H,1-2,5,8-9,12-14H2,(H,28,31)/t18-,20+,23-,25-,26+/m0/s1
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0.480n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Activity at monocloned mu opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay


J Med Chem 52: 1416-27 (2010)


Article DOI: 10.1021/jm801272c
BindingDB Entry DOI: 10.7270/Q2416XZ6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50292919
PNG
(17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5r-epoxy...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@H](CC[C@@]35O)NC(=O)c1cc2ccccc2cn1 |r|
Show InChI InChI=1S/C30H31N3O4/c34-23-8-7-19-14-24-30(36)10-9-21(32-28(35)22-13-18-3-1-2-4-20(18)15-31-22)27-29(30,25(19)26(23)37-27)11-12-33(24)16-17-5-6-17/h1-4,7-8,13,15,17,21,24,27,34,36H,5-6,9-12,14,16H2,(H,32,35)/t21-,24+,27-,29-,30+/m0/s1
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0.550n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]naloxone from monocloned mu opioid receptor expressed in CHO cells


J Med Chem 52: 1416-27 (2010)


Article DOI: 10.1021/jm801272c
BindingDB Entry DOI: 10.7270/Q2416XZ6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50292914
PNG
(17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5r-epoxy...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1cnc2ccccc2c1 |r|
Show InChI InChI=1S/C30H31N3O4/c34-23-8-7-19-14-24-30(36)10-9-22(32-28(35)20-13-18-3-1-2-4-21(18)31-15-20)27-29(30,25(19)26(23)37-27)11-12-33(24)16-17-5-6-17/h1-4,7-8,13,15,17,22,24,27,34,36H,5-6,9-12,14,16H2,(H,32,35)/t22-,24-,27+,29+,30-/m1/s1
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0.570n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]norBNI from monocloned kappa opioid receptor expressed in CHO cells


J Med Chem 52: 1416-27 (2010)


Article DOI: 10.1021/jm801272c
BindingDB Entry DOI: 10.7270/Q2416XZ6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50235942
PNG
(17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5r-epoxy...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccccc1 |r|
Show InChI InChI=1S/C27H30N2O4/c30-20-9-8-18-14-21-27(32)11-10-19(28-25(31)17-4-2-1-3-5-17)24-26(27,22(18)23(20)33-24)12-13-29(21)15-16-6-7-16/h1-5,8-9,16,19,21,24,30,32H,6-7,10-15H2,(H,28,31)/t19-,21-,24+,26+,27-/m1/s1
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0.920n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Activity at monocloned mu opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay


J Med Chem 52: 1416-27 (2010)


Article DOI: 10.1021/jm801272c
BindingDB Entry DOI: 10.7270/Q2416XZ6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50247803
PNG
(Beta-Funeltrexamine | CHEMBL473136 | beta-funaltre...)
Show SMILES COC(=O)\C=C\C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r|
Show InChI InChI=1S/C25H30N2O6/c1-32-20(30)7-6-19(29)26-16-8-9-25(31)18-12-15-4-5-17(28)22-21(15)24(25,23(16)33-22)10-11-27(18)13-14-2-3-14/h4-7,14,16,18,23,28,31H,2-3,8-13H2,1H3,(H,26,29)/b7-6+/t16-,18-,23+,24+,25-/m1/s1
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0.940n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]norBNI from monocloned kappa opioid receptor expressed in CHO cells


J Med Chem 52: 1416-27 (2010)


Article DOI: 10.1021/jm801272c
BindingDB Entry DOI: 10.7270/Q2416XZ6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50247803
PNG
(Beta-Funeltrexamine | CHEMBL473136 | beta-funaltre...)
Show SMILES COC(=O)\C=C\C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r|
Show InChI InChI=1S/C25H30N2O6/c1-32-20(30)7-6-19(29)26-16-8-9-25(31)18-12-15-4-5-17(28)22-21(15)24(25,23(16)33-22)10-11-27(18)13-14-2-3-14/h4-7,14,16,18,23,28,31H,2-3,8-13H2,1H3,(H,26,29)/b7-6+/t16-,18-,23+,24+,25-/m1/s1
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0.940n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]norBNI from kappa opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 1825-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.093
BindingDB Entry DOI: 10.7270/Q2GX4CH2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50266887
PNG
((1S,5R,13R,17S)-4-(cyclopropylmethyl)-10-hydroxy-1...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35OC(=O)c1ccc2ccccc2n1 |r|
Show InChI InChI=1S/C30H28N2O5/c33-22-10-8-19-15-24-30(37-28(35)21-9-7-18-3-1-2-4-20(18)31-21)12-11-23(34)27-29(30,25(19)26(22)36-27)13-14-32(24)16-17-5-6-17/h1-4,7-10,17,24,27,33H,5-6,11-16H2/t24-,27+,29+,30-/m1/s1
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1.40n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 1825-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.093
BindingDB Entry DOI: 10.7270/Q2GX4CH2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50235940
PNG
(17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5r-epoxy...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@H](CC[C@@]35O)NC(=O)c1ccccc1 |r|
Show InChI InChI=1S/C27H30N2O4/c30-20-9-8-18-14-21-27(32)11-10-19(28-25(31)17-4-2-1-3-5-17)24-26(27,22(18)23(20)33-24)12-13-29(21)15-16-6-7-16/h1-5,8-9,16,19,21,24,30,32H,6-7,10-15H2,(H,28,31)/t19-,21+,24-,26-,27+/m0/s1
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1.40n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Activity at monocloned mu opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay


J Med Chem 52: 1416-27 (2010)


Article DOI: 10.1021/jm801272c
BindingDB Entry DOI: 10.7270/Q2416XZ6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50266858
PNG
((1S,5R,13R,17S)-4-(cyclopropylmethyl)-10-hydroxy-1...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35OC(=O)c1cccnc1 |r|
Show InChI InChI=1S/C26H26N2O5/c29-18-6-5-16-12-20-26(33-24(31)17-2-1-10-27-13-17)8-7-19(30)23-25(26,21(16)22(18)32-23)9-11-28(20)14-15-3-4-15/h1-2,5-6,10,13,15,20,23,29H,3-4,7-9,11-12,14H2/t20-,23+,25+,26-/m1/s1
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1.60n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 1825-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.093
BindingDB Entry DOI: 10.7270/Q2GX4CH2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50292918
PNG
(17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5r-epoxy...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1cc2ccccc2cn1 |r|
Show InChI InChI=1S/C30H31N3O4/c34-23-8-7-19-14-24-30(36)10-9-21(32-28(35)22-13-18-3-1-2-4-20(18)15-31-22)27-29(30,25(19)26(23)37-27)11-12-33(24)16-17-5-6-17/h1-4,7-8,13,15,17,21,24,27,34,36H,5-6,9-12,14,16H2,(H,32,35)/t21-,24-,27+,29+,30-/m1/s1
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1.60n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]norBNI from monocloned kappa opioid receptor expressed in CHO cells


J Med Chem 52: 1416-27 (2010)


Article DOI: 10.1021/jm801272c
BindingDB Entry DOI: 10.7270/Q2416XZ6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50292915
PNG
(17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5r-epoxy...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@H](CC[C@@]35O)NC(=O)c1cnc2ccccc2c1 |r|
Show InChI InChI=1S/C30H31N3O4/c34-23-8-7-19-14-24-30(36)10-9-22(32-28(35)20-13-18-3-1-2-4-21(18)31-15-20)27-29(30,25(19)26(23)37-27)11-12-33(24)16-17-5-6-17/h1-4,7-8,13,15,17,22,24,27,34,36H,5-6,9-12,14,16H2,(H,32,35)/t22-,24+,27-,29-,30+/m0/s1
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1.80n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]norBNI from monocloned kappa opioid receptor expressed in CHO cells


J Med Chem 52: 1416-27 (2010)


Article DOI: 10.1021/jm801272c
BindingDB Entry DOI: 10.7270/Q2416XZ6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50292925
PNG
((4R,7S,10S,13R,16S,19R)-13-((1H-indol-3-yl)methyl)...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H]1NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC1(C)C)NC(=O)[C@H]1Cc2ccccc2CN1)[C@@H](C)O)C(N)=O |r,wU:7.6,52.62,72.79,62.65,wD:3.3,1.1,40.42,26.26,15.15,11.77,(48.26,5.04,;48.26,6.58,;49.59,7.35,;46.94,7.35,;45.6,6.58,;45.6,5.04,;46.94,4.27,;44.31,4.21,;44.37,2.53,;45.7,1.73,;47.03,2.49,;45.68,.2,;44.35,-.59,;43.01,.19,;43.01,-1.36,;41.59,-.59,;41.59,-2.12,;42.92,-2.89,;42.92,-4.43,;44.25,-5.19,;44.25,-6.74,;42.92,-7.51,;45.58,-7.51,;40.35,.19,;39.02,-.58,;39.02,-2.11,;37.69,.19,;37.69,-2.27,;36.36,-3.03,;34.91,-2.41,;33.89,-3.64,;34.63,-4.9,;34.16,-6.36,;35.19,-7.52,;36.71,-7.23,;37.22,-5.75,;36.16,-4.56,;36.36,-.57,;35.02,.2,;35.02,-1.34,;33.68,-.57,;33.68,-2.57,;32.15,-3.85,;30.69,-3.31,;29.5,-4.31,;29.79,-5.85,;28.62,-6.85,;31.23,-6.37,;32.42,-5.37,;32.36,.21,;30.96,-.54,;30.62,-2.04,;29.66,.31,;29.71,1.78,;34.37,3.93,;42.28,3.53,;42.95,4.89,;41.58,5.57,;43.64,6.26,;28.29,-.41,;26.96,.36,;26.96,1.91,;25.63,-.41,;25.63,-1.9,;24.29,-2.67,;24.29,-4.24,;23,-4.98,;21.72,-4.24,;21.64,-2.73,;22.96,-1.97,;22.96,-.41,;24.25,.4,;47.01,-.57,;48.34,.2,;47.01,-2.11,;46.94,8.89,;45.6,9.67,;48.26,9.67,)|
Show InChI InChI=1S/C52H69N13O11S2/c1-26(66)40(43(53)69)63-50(76)42-52(3,4)78-77-25-39(62-45(71)36-21-29-10-5-6-11-30(29)23-58-36)48(74)60-37(20-28-15-17-32(68)18-16-28)46(72)61-38(22-31-24-57-34-13-8-7-12-33(31)34)47(73)59-35(14-9-19-56-51(54)55)44(70)64-41(27(2)67)49(75)65-42/h5-8,10-13,15-18,24,26-27,35-42,57-58,66-68H,9,14,19-23,25H2,1-4H3,(H2,53,69)(H,59,73)(H,60,74)(H,61,72)(H,62,71)(H,63,76)(H,64,70)(H,65,75)(H4,54,55,56)/t26-,27-,35+,36-,37+,38-,39+,40+,41+,42-/m1/s1
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2n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Activity at monocloned mu opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay


J Med Chem 52: 1416-27 (2010)


Article DOI: 10.1021/jm801272c
BindingDB Entry DOI: 10.7270/Q2416XZ6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50266827
PNG
(CHEMBL500766 | D-Phe-Cys-Tyr-D-Trp-Arg-Thr-Pen-Thr)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H](CS)NC(=O)[C@H](N)Cc1ccccc1)[C@@H](C)O)C(C)(C)S)C(O)=O |r,wU:40.51,26.38,11.11,67.72,wD:7.7,3.3,58.61,52.57,15.22,1.1,(40.38,-16.39,;41.72,-15.62,;43.06,-16.39,;41.72,-14.08,;40.39,-13.31,;39.06,-14.08,;39.06,-15.62,;37.72,-13.31,;36.39,-14.08,;36.39,-15.62,;37.72,-16.39,;35.06,-16.39,;35.06,-17.93,;33.72,-18.7,;32.39,-17.92,;33.72,-20.24,;35.06,-21.01,;36.39,-20.24,;37.72,-21,;39.05,-20.23,;40.39,-21,;40.39,-22.54,;41.72,-20.23,;32.39,-21.01,;32.39,-22.55,;33.72,-23.31,;31.06,-23.31,;29.72,-22.54,;29.72,-21.01,;30.96,-20.1,;30.48,-18.64,;28.94,-18.64,;27.91,-17.49,;26.4,-17.82,;25.93,-19.28,;26.96,-20.42,;28.47,-20.1,;31.06,-24.85,;29.72,-25.62,;28.39,-24.85,;29.72,-27.17,;31.06,-27.94,;32.39,-27.16,;33.73,-27.93,;35.06,-27.16,;35.06,-25.62,;36.39,-24.85,;33.72,-24.85,;32.39,-25.62,;28.39,-27.94,;27.06,-27.17,;27.06,-25.63,;25.72,-27.94,;25.72,-29.48,;27.06,-30.25,;24.39,-27.17,;23.05,-27.94,;23.05,-29.48,;21.72,-27.17,;20.38,-27.94,;21.72,-25.63,;23.05,-24.86,;24.38,-25.63,;25.72,-24.86,;25.72,-23.32,;24.38,-22.55,;23.05,-23.32,;33.72,-15.61,;32.38,-16.39,;33.72,-14.08,;37.72,-11.77,;39.26,-11.76,;36.18,-11.78,;37.71,-10.22,;43.06,-13.3,;44.4,-14.07,;43.06,-11.74,)|
Show InChI InChI=1S/C51H70N12O12S2/c1-26(64)39(47(72)63-41(51(3,4)77)48(73)62-40(27(2)65)49(74)75)61-43(68)35(15-10-20-55-50(53)54)57-45(70)37(23-30-24-56-34-14-9-8-13-32(30)34)59-44(69)36(22-29-16-18-31(66)19-17-29)58-46(71)38(25-76)60-42(67)33(52)21-28-11-6-5-7-12-28/h5-9,11-14,16-19,24,26-27,33,35-41,56,64-66,76-77H,10,15,20-23,25,52H2,1-4H3,(H,57,70)(H,58,71)(H,59,69)(H,60,67)(H,61,68)(H,62,73)(H,63,72)(H,74,75)(H4,53,54,55)/t26-,27-,33-,35+,36-,37+,38+,39+,40+,41+/m1/s1
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2n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 1825-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.093
BindingDB Entry DOI: 10.7270/Q2GX4CH2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50292924
PNG
(17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5r-epoxy...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@H](CC[C@@]35O)NC(=O)c1ccccn1 |r|
Show InChI InChI=1S/C26H29N3O4/c30-19-7-6-16-13-20-26(32)9-8-17(28-24(31)18-3-1-2-11-27-18)23-25(26,21(16)22(19)33-23)10-12-29(20)14-15-4-5-15/h1-3,6-7,11,15,17,20,23,30,32H,4-5,8-10,12-14H2,(H,28,31)/t17-,20+,23-,25-,26+/m0/s1
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2.70n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Activity at monocloned mu opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay


J Med Chem 52: 1416-27 (2010)


Article DOI: 10.1021/jm801272c
BindingDB Entry DOI: 10.7270/Q2416XZ6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50266888
PNG
((1S,5R,13R,17S)-4-(cyclopropylmethyl)-10-hydroxy-1...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35OC(=O)c1cnc2ccccc2c1 |r|
Show InChI InChI=1S/C30H28N2O5/c33-22-8-7-19-14-24-30(37-28(35)20-13-18-3-1-2-4-21(18)31-15-20)10-9-23(34)27-29(30,25(19)26(22)36-27)11-12-32(24)16-17-5-6-17/h1-4,7-8,13,15,17,24,27,33H,5-6,9-12,14,16H2/t24-,27+,29+,30-/m1/s1
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2.70n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 1825-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.093
BindingDB Entry DOI: 10.7270/Q2GX4CH2
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50292916
PNG
(17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5r-epoxy...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccc2ccccc2n1 |r|
Show InChI InChI=1S/C30H31N3O4/c34-23-10-8-19-15-24-30(36)12-11-21(32-28(35)22-9-7-18-3-1-2-4-20(18)31-22)27-29(30,25(19)26(23)37-27)13-14-33(24)16-17-5-6-17/h1-4,7-10,17,21,24,27,34,36H,5-6,11-16H2,(H,32,35)/t21-,24-,27+,29+,30-/m1/s1
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3.90n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]NTI from monocloned delta opioid receptor expressed in CHO cells


J Med Chem 52: 1416-27 (2010)


Article DOI: 10.1021/jm801272c
BindingDB Entry DOI: 10.7270/Q2416XZ6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50292916
PNG
(17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5r-epoxy...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccc2ccccc2n1 |r|
Show InChI InChI=1S/C30H31N3O4/c34-23-10-8-19-15-24-30(36)12-11-21(32-28(35)22-9-7-18-3-1-2-4-20(18)31-22)27-29(30,25(19)26(23)37-27)13-14-33(24)16-17-5-6-17/h1-4,7-10,17,21,24,27,34,36H,5-6,11-16H2,(H,32,35)/t21-,24-,27+,29+,30-/m1/s1
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5n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]norBNI from monocloned kappa opioid receptor expressed in CHO cells


J Med Chem 52: 1416-27 (2010)


Article DOI: 10.1021/jm801272c
BindingDB Entry DOI: 10.7270/Q2416XZ6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM60212
PNG
((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1
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5.20n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]norBNI from kappa opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 1825-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.093
BindingDB Entry DOI: 10.7270/Q2GX4CH2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM60212
PNG
((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1
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5.20n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]norBNI from monocloned kappa opioid receptor expressed in CHO cells


J Med Chem 52: 1416-27 (2010)


Article DOI: 10.1021/jm801272c
BindingDB Entry DOI: 10.7270/Q2416XZ6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50292922
PNG
(17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5r-epoxy...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1cccnc1 |r|
Show InChI InChI=1S/C26H29N3O4/c30-19-6-5-16-12-20-26(32)8-7-18(28-24(31)17-2-1-10-27-13-17)23-25(26,21(16)22(19)33-23)9-11-29(20)14-15-3-4-15/h1-2,5-6,10,13,15,18,20,23,30,32H,3-4,7-9,11-12,14H2,(H,28,31)/t18-,20-,23+,25+,26-/m1/s1
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5.40n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]norBNI from monocloned kappa opioid receptor expressed in CHO cells


J Med Chem 52: 1416-27 (2010)


Article DOI: 10.1021/jm801272c
BindingDB Entry DOI: 10.7270/Q2416XZ6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50266859
PNG
((1S,5R,13R,17S)-4-(cyclopropylmethyl)-10-hydroxy-1...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35OC(=O)c1ccncc1 |r|
Show InChI InChI=1S/C26H26N2O5/c29-18-4-3-17-13-20-26(33-24(31)16-6-10-27-11-7-16)8-5-19(30)23-25(26,21(17)22(18)32-23)9-12-28(20)14-15-1-2-15/h3-4,6-7,10-11,15,20,23,29H,1-2,5,8-9,12-14H2/t20-,23+,25+,26-/m1/s1
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5.60n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 1825-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.093
BindingDB Entry DOI: 10.7270/Q2GX4CH2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50235938
PNG
(17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5r-epoxy...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccccn1 |r|
Show InChI InChI=1S/C26H29N3O4/c30-19-7-6-16-13-20-26(32)9-8-17(28-24(31)18-3-1-2-11-27-18)23-25(26,21(16)22(19)33-23)10-12-29(20)14-15-4-5-15/h1-3,6-7,11,15,17,20,23,30,32H,4-5,8-10,12-14H2,(H,28,31)/t17-,20-,23+,25+,26-/m1/s1
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5.90n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Activity at monocloned mu opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay


J Med Chem 52: 1416-27 (2010)


Article DOI: 10.1021/jm801272c
BindingDB Entry DOI: 10.7270/Q2416XZ6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50235942
PNG
(17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5r-epoxy...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccccc1 |r|
Show InChI InChI=1S/C27H30N2O4/c30-20-9-8-18-14-21-27(32)11-10-19(28-25(31)17-4-2-1-3-5-17)24-26(27,22(18)23(20)33-24)12-13-29(21)15-16-6-7-16/h1-5,8-9,16,19,21,24,30,32H,6-7,10-15H2,(H,28,31)/t19-,21-,24+,26+,27-/m1/s1
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7.80n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]norBNI from monocloned kappa opioid receptor expressed in CHO cells


J Med Chem 52: 1416-27 (2010)


Article DOI: 10.1021/jm801272c
BindingDB Entry DOI: 10.7270/Q2416XZ6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50292913
PNG
(17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5r-epoxy...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@H](CC[C@@]35O)NC(=O)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C31H32N2O4/c34-24-10-9-21-16-25-31(36)12-11-23(32-29(35)22-8-7-19-3-1-2-4-20(19)15-22)28-30(31,26(21)27(24)37-28)13-14-33(25)17-18-5-6-18/h1-4,7-10,15,18,23,25,28,34,36H,5-6,11-14,16-17H2,(H,32,35)/t23-,25+,28-,30-,31+/m0/s1
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8.40n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Activity at monocloned mu opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay


J Med Chem 52: 1416-27 (2010)


Article DOI: 10.1021/jm801272c
BindingDB Entry DOI: 10.7270/Q2416XZ6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50292917
PNG
(17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5r-epoxy...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@H](CC[C@@]35O)NC(=O)c1ccc2ccccc2n1 |r|
Show InChI InChI=1S/C30H31N3O4/c34-23-10-8-19-15-24-30(36)12-11-21(32-28(35)22-9-7-18-3-1-2-4-20(18)31-22)27-29(30,25(19)26(23)37-27)13-14-33(24)16-17-5-6-17/h1-4,7-10,17,21,24,27,34,36H,5-6,11-16H2,(H,32,35)/t21-,24+,27-,29-,30+/m0/s1
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9.80n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]norBNI from monocloned kappa opioid receptor expressed in CHO cells


J Med Chem 52: 1416-27 (2010)


Article DOI: 10.1021/jm801272c
BindingDB Entry DOI: 10.7270/Q2416XZ6
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50292914
PNG
(17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5r-epoxy...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1cnc2ccccc2c1 |r|
Show InChI InChI=1S/C30H31N3O4/c34-23-8-7-19-14-24-30(36)10-9-22(32-28(35)20-13-18-3-1-2-4-21(18)31-15-20)27-29(30,25(19)26(23)37-27)11-12-33(24)16-17-5-6-17/h1-4,7-8,13,15,17,22,24,27,34,36H,5-6,9-12,14,16H2,(H,32,35)/t22-,24-,27+,29+,30-/m1/s1
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12n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]NTI from monocloned delta opioid receptor expressed in CHO cells


J Med Chem 52: 1416-27 (2010)


Article DOI: 10.1021/jm801272c
BindingDB Entry DOI: 10.7270/Q2416XZ6
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50292918
PNG
(17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5r-epoxy...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1cc2ccccc2cn1 |r|
Show InChI InChI=1S/C30H31N3O4/c34-23-8-7-19-14-24-30(36)10-9-21(32-28(35)22-13-18-3-1-2-4-20(18)15-31-22)27-29(30,25(19)26(23)37-27)11-12-33(24)16-17-5-6-17/h1-4,7-8,13,15,17,21,24,27,34,36H,5-6,9-12,14,16H2,(H,32,35)/t21-,24-,27+,29+,30-/m1/s1
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15n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]NTI from monocloned delta opioid receptor expressed in CHO cells


J Med Chem 52: 1416-27 (2010)


Article DOI: 10.1021/jm801272c
BindingDB Entry DOI: 10.7270/Q2416XZ6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50292921
PNG
(17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5r-epoxy...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@H](CC[C@@]35O)NC(=O)c1ccncc1 |r|
Show InChI InChI=1S/C26H29N3O4/c30-19-4-3-17-13-20-26(32)8-5-18(28-24(31)16-6-10-27-11-7-16)23-25(26,21(17)22(19)33-23)9-12-29(20)14-15-1-2-15/h3-4,6-7,10-11,15,18,20,23,30,32H,1-2,5,8-9,12-14H2,(H,28,31)/t18-,20+,23-,25-,26+/m0/s1
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20n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]norBNI from monocloned kappa opioid receptor expressed in CHO cells


J Med Chem 52: 1416-27 (2010)


Article DOI: 10.1021/jm801272c
BindingDB Entry DOI: 10.7270/Q2416XZ6
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50266887
PNG
((1S,5R,13R,17S)-4-(cyclopropylmethyl)-10-hydroxy-1...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35OC(=O)c1ccc2ccccc2n1 |r|
Show InChI InChI=1S/C30H28N2O5/c33-22-10-8-19-15-24-30(37-28(35)21-9-7-18-3-1-2-4-20(18)31-21)12-11-23(34)27-29(30,25(19)26(22)36-27)13-14-32(24)16-17-5-6-17/h1-4,7-10,17,24,27,33H,5-6,11-16H2/t24-,27+,29+,30-/m1/s1
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23n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]NTI from delta opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 1825-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.093
BindingDB Entry DOI: 10.7270/Q2GX4CH2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50292919
PNG
(17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5r-epoxy...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@H](CC[C@@]35O)NC(=O)c1cc2ccccc2cn1 |r|
Show InChI InChI=1S/C30H31N3O4/c34-23-8-7-19-14-24-30(36)10-9-21(32-28(35)22-13-18-3-1-2-4-20(18)15-31-22)27-29(30,25(19)26(23)37-27)11-12-33(24)16-17-5-6-17/h1-4,7-8,13,15,17,21,24,27,34,36H,5-6,9-12,14,16H2,(H,32,35)/t21-,24+,27-,29-,30+/m0/s1
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26n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]norBNI from monocloned kappa opioid receptor expressed in CHO cells


J Med Chem 52: 1416-27 (2010)


Article DOI: 10.1021/jm801272c
BindingDB Entry DOI: 10.7270/Q2416XZ6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50266857
PNG
((1S,5R,13R,17S)-4-(cyclopropylmethyl)-10-hydroxy-1...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35OC(=O)c1ccccn1 |r|
Show InChI InChI=1S/C26H26N2O5/c29-18-7-6-16-13-20-26(33-24(31)17-3-1-2-11-27-17)9-8-19(30)23-25(26,21(16)22(18)32-23)10-12-28(20)14-15-4-5-15/h1-3,6-7,11,15,20,23,29H,4-5,8-10,12-14H2/t20-,23+,25+,26-/m1/s1
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26n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]norBNI from kappa opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 1825-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.093
BindingDB Entry DOI: 10.7270/Q2GX4CH2
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50247803
PNG
(Beta-Funeltrexamine | CHEMBL473136 | beta-funaltre...)
Show SMILES COC(=O)\C=C\C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r|
Show InChI InChI=1S/C25H30N2O6/c1-32-20(30)7-6-19(29)26-16-8-9-25(31)18-12-15-4-5-17(28)22-21(15)24(25,23(16)33-22)10-11-27(18)13-14-2-3-14/h4-7,14,16,18,23,28,31H,2-3,8-13H2,1H3,(H,26,29)/b7-6+/t16-,18-,23+,24+,25-/m1/s1
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28n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]NTI from monocloned delta opioid receptor expressed in CHO cells


J Med Chem 52: 1416-27 (2010)


Article DOI: 10.1021/jm801272c
BindingDB Entry DOI: 10.7270/Q2416XZ6
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50247803
PNG
(Beta-Funeltrexamine | CHEMBL473136 | beta-funaltre...)
Show SMILES COC(=O)\C=C\C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r|
Show InChI InChI=1S/C25H30N2O6/c1-32-20(30)7-6-19(29)26-16-8-9-25(31)18-12-15-4-5-17(28)22-21(15)24(25,23(16)33-22)10-11-27(18)13-14-2-3-14/h4-7,14,16,18,23,28,31H,2-3,8-13H2,1H3,(H,26,29)/b7-6+/t16-,18-,23+,24+,25-/m1/s1
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Patents

Article
PubMed
28n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]NTI from delta opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 1825-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.093
BindingDB Entry DOI: 10.7270/Q2GX4CH2
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50292912
PNG
(17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5r-epoxy...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C31H32N2O4/c34-24-10-9-21-16-25-31(36)12-11-23(32-29(35)22-8-7-19-3-1-2-4-20(19)15-22)28-30(31,26(21)27(24)37-28)13-14-33(25)17-18-5-6-18/h1-4,7-10,15,18,23,25,28,34,36H,5-6,11-14,16-17H2,(H,32,35)/t23-,25-,28+,30+,31-/m1/s1
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29n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]NTI from monocloned delta opioid receptor expressed in CHO cells


J Med Chem 52: 1416-27 (2010)


Article DOI: 10.1021/jm801272c
BindingDB Entry DOI: 10.7270/Q2416XZ6
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50292915
PNG
(17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5r-epoxy...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@H](CC[C@@]35O)NC(=O)c1cnc2ccccc2c1 |r|
Show InChI InChI=1S/C30H31N3O4/c34-23-8-7-19-14-24-30(36)10-9-22(32-28(35)20-13-18-3-1-2-4-21(18)31-15-20)27-29(30,25(19)26(23)37-27)11-12-33(24)16-17-5-6-17/h1-4,7-8,13,15,17,22,24,27,34,36H,5-6,9-12,14,16H2,(H,32,35)/t22-,24+,27-,29-,30+/m0/s1
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32n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]NTI from monocloned delta opioid receptor expressed in CHO cells


J Med Chem 52: 1416-27 (2010)


Article DOI: 10.1021/jm801272c
BindingDB Entry DOI: 10.7270/Q2416XZ6
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50292923
PNG
(17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5r-epoxy...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@H](CC[C@@]35O)NC(=O)c1cccnc1 |r|
Show InChI InChI=1S/C26H29N3O4/c30-19-6-5-16-12-20-26(32)8-7-18(28-24(31)17-2-1-10-27-13-17)23-25(26,21(16)22(19)33-23)9-11-29(20)14-15-3-4-15/h1-2,5-6,10,13,15,18,20,23,30,32H,3-4,7-9,11-12,14H2,(H,28,31)/t18-,20+,23-,25-,26+/m0/s1
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41n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]NTI from monocloned delta opioid receptor expressed in CHO cells


J Med Chem 52: 1416-27 (2010)


Article DOI: 10.1021/jm801272c
BindingDB Entry DOI: 10.7270/Q2416XZ6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50235940
PNG
(17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5r-epoxy...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@H](CC[C@@]35O)NC(=O)c1ccccc1 |r|
Show InChI InChI=1S/C27H30N2O4/c30-20-9-8-18-14-21-27(32)11-10-19(28-25(31)17-4-2-1-3-5-17)24-26(27,22(18)23(20)33-24)12-13-29(21)15-16-6-7-16/h1-5,8-9,16,19,21,24,30,32H,6-7,10-15H2,(H,28,31)/t19-,21+,24-,26-,27+/m0/s1
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42n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]norBNI from monocloned kappa opioid receptor expressed in CHO cells


J Med Chem 52: 1416-27 (2010)


Article DOI: 10.1021/jm801272c
BindingDB Entry DOI: 10.7270/Q2416XZ6
More data for this
Ligand-Target Pair
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