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PubMed code 17601735

Compile data set for download or QSAR
Found 24 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))
BDBM50216982
PNG
(CHEMBL235239 | UMB-97 | UMB97)
Show SMILES CO[C@]12CC(O)[C@@]3(C[C@@H]1[C@@H](C)O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1C)c45 |w:4.4,TLB:9:8:22.21:3.4,TEB:5:4:22.21:7.8|
Show InChI InChI=1S/C22H29NO5/c1-11(24)13-9-21-15-8-12-4-5-14(25)18-17(12)20(21,6-7-23(15)2)19(28-18)22(13,27-3)10-16(21)26/h4-5,11,13,15-16,19,24-26H,6-10H2,1-3H3/t11-,13-,15-,16?,19-,20+,21-,22-/m1/s1
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4.30n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 4829-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.050
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50216981
PNG
(CHEMBL238017 | UMB-95 | UMB95)
Show SMILES CO[C@]12[C@@H]3Oc4c5c(C[C@H]6N(C)CC[C@@]35[C@]6(CC1O)C[C@@H]2[C@H](C)O)ccc4O |w:17.21,TEB:18:17:14.3:19.20|
Show InChI InChI=1S/C22H29NO5/c1-11(24)13-9-20-10-16(26)22(13,27-3)19-21(20)6-7-23(2)15(20)8-12-4-5-14(25)18(28-19)17(12)21/h4-5,11,13,15-16,19,24-26H,6-10H2,1-3H3/t11-,13+,15+,16?,19+,20-,21-,22-/m0/s1
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13n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 4829-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.050
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50216980
PNG
(CHEMBL401245 | UMB-94 | UMB94)
Show SMILES CO[C@]12[C@@H]3Oc4c5c(C[C@H]6N(C)CC[C@@]35[C@]6(CC1O)C[C@@H]2[C@@H](C)O)ccc4O |w:17.21,TEB:18:17:14.3:19.20|
Show InChI InChI=1S/C22H29NO5/c1-11(24)13-9-20-10-16(26)22(13,27-3)19-21(20)6-7-23(2)15(20)8-12-4-5-14(25)18(28-19)17(12)21/h4-5,11,13,15-16,19,24-26H,6-10H2,1-3H3/t11-,13-,15-,16?,19-,20+,21+,22+/m1/s1
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20n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 4829-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.050
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50216980
PNG
(CHEMBL401245 | UMB-94 | UMB94)
Show SMILES CO[C@]12[C@@H]3Oc4c5c(C[C@H]6N(C)CC[C@@]35[C@]6(CC1O)C[C@@H]2[C@@H](C)O)ccc4O |w:17.21,TEB:18:17:14.3:19.20|
Show InChI InChI=1S/C22H29NO5/c1-11(24)13-9-20-10-16(26)22(13,27-3)19-21(20)6-7-23(2)15(20)8-12-4-5-14(25)18(28-19)17(12)21/h4-5,11,13,15-16,19,24-26H,6-10H2,1-3H3/t11-,13-,15-,16?,19-,20+,21+,22+/m1/s1
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25n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from cloned delta opioid receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 4829-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.050
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50216980
PNG
(CHEMBL401245 | UMB-94 | UMB94)
Show SMILES CO[C@]12[C@@H]3Oc4c5c(C[C@H]6N(C)CC[C@@]35[C@]6(CC1O)C[C@@H]2[C@@H](C)O)ccc4O |w:17.21,TEB:18:17:14.3:19.20|
Show InChI InChI=1S/C22H29NO5/c1-11(24)13-9-20-10-16(26)22(13,27-3)19-21(20)6-7-23(2)15(20)8-12-4-5-14(25)18(28-19)17(12)21/h4-5,11,13,15-16,19,24-26H,6-10H2,1-3H3/t11-,13-,15-,16?,19-,20+,21+,22+/m1/s1
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26n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from cloned kappa opioid receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 4829-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.050
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50216981
PNG
(CHEMBL238017 | UMB-95 | UMB95)
Show SMILES CO[C@]12[C@@H]3Oc4c5c(C[C@H]6N(C)CC[C@@]35[C@]6(CC1O)C[C@@H]2[C@H](C)O)ccc4O |w:17.21,TEB:18:17:14.3:19.20|
Show InChI InChI=1S/C22H29NO5/c1-11(24)13-9-20-10-16(26)22(13,27-3)19-21(20)6-7-23(2)15(20)8-12-4-5-14(25)18(28-19)17(12)21/h4-5,11,13,15-16,19,24-26H,6-10H2,1-3H3/t11-,13+,15+,16?,19+,20-,21-,22-/m0/s1
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28n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from cloned delta opioid receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 4829-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.050
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50216983
PNG
(CHEMBL392269 | UMB-96 | UMB96)
Show SMILES CO[C@]12CC(O)[C@@]3(C[C@@H]1[C@H](C)O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1C)c45 |w:4.4,TLB:9:8:22.21:3.4,TEB:5:4:22.21:7.8|
Show InChI InChI=1S/C22H29NO5/c1-11(24)13-9-21-15-8-12-4-5-14(25)18-17(12)20(21,6-7-23(15)2)19(28-18)22(13,27-3)10-16(21)26/h4-5,11,13,15-16,19,24-26H,6-10H2,1-3H3/t11-,13+,15+,16?,19+,20-,21+,22+/m0/s1
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34n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 4829-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.050
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50216981
PNG
(CHEMBL238017 | UMB-95 | UMB95)
Show SMILES CO[C@]12[C@@H]3Oc4c5c(C[C@H]6N(C)CC[C@@]35[C@]6(CC1O)C[C@@H]2[C@H](C)O)ccc4O |w:17.21,TEB:18:17:14.3:19.20|
Show InChI InChI=1S/C22H29NO5/c1-11(24)13-9-20-10-16(26)22(13,27-3)19-21(20)6-7-23(2)15(20)8-12-4-5-14(25)18(28-19)17(12)21/h4-5,11,13,15-16,19,24-26H,6-10H2,1-3H3/t11-,13+,15+,16?,19+,20-,21-,22-/m0/s1
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64n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from cloned kappa opioid receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 4829-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.050
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50216983
PNG
(CHEMBL392269 | UMB-96 | UMB96)
Show SMILES CO[C@]12CC(O)[C@@]3(C[C@@H]1[C@H](C)O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1C)c45 |w:4.4,TLB:9:8:22.21:3.4,TEB:5:4:22.21:7.8|
Show InChI InChI=1S/C22H29NO5/c1-11(24)13-9-21-15-8-12-4-5-14(25)18-17(12)20(21,6-7-23(15)2)19(28-18)22(13,27-3)10-16(21)26/h4-5,11,13,15-16,19,24-26H,6-10H2,1-3H3/t11-,13+,15+,16?,19+,20-,21+,22+/m0/s1
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110n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from cloned delta opioid receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 4829-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.050
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50216982
PNG
(CHEMBL235239 | UMB-97 | UMB97)
Show SMILES CO[C@]12CC(O)[C@@]3(C[C@@H]1[C@@H](C)O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1C)c45 |w:4.4,TLB:9:8:22.21:3.4,TEB:5:4:22.21:7.8|
Show InChI InChI=1S/C22H29NO5/c1-11(24)13-9-21-15-8-12-4-5-14(25)18-17(12)20(21,6-7-23(15)2)19(28-18)22(13,27-3)10-16(21)26/h4-5,11,13,15-16,19,24-26H,6-10H2,1-3H3/t11-,13-,15-,16?,19-,20+,21-,22-/m1/s1
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120n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from cloned delta opioid receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 4829-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.050
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50216983
PNG
(CHEMBL392269 | UMB-96 | UMB96)
Show SMILES CO[C@]12CC(O)[C@@]3(C[C@@H]1[C@H](C)O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1C)c45 |w:4.4,TLB:9:8:22.21:3.4,TEB:5:4:22.21:7.8|
Show InChI InChI=1S/C22H29NO5/c1-11(24)13-9-21-15-8-12-4-5-14(25)18-17(12)20(21,6-7-23(15)2)19(28-18)22(13,27-3)10-16(21)26/h4-5,11,13,15-16,19,24-26H,6-10H2,1-3H3/t11-,13+,15+,16?,19+,20-,21+,22+/m0/s1
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170n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from cloned kappa opioid receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 4829-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.050
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50216982
PNG
(CHEMBL235239 | UMB-97 | UMB97)
Show SMILES CO[C@]12CC(O)[C@@]3(C[C@@H]1[C@@H](C)O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1C)c45 |w:4.4,TLB:9:8:22.21:3.4,TEB:5:4:22.21:7.8|
Show InChI InChI=1S/C22H29NO5/c1-11(24)13-9-21-15-8-12-4-5-14(25)18-17(12)20(21,6-7-23(15)2)19(28-18)22(13,27-3)10-16(21)26/h4-5,11,13,15-16,19,24-26H,6-10H2,1-3H3/t11-,13-,15-,16?,19-,20+,21-,22-/m1/s1
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230n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from cloned kappa opioid receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 4829-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.050
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50216981
PNG
(CHEMBL238017 | UMB-95 | UMB95)
Show SMILES CO[C@]12[C@@H]3Oc4c5c(C[C@H]6N(C)CC[C@@]35[C@]6(CC1O)C[C@@H]2[C@H](C)O)ccc4O |w:17.21,TEB:18:17:14.3:19.20|
Show InChI InChI=1S/C22H29NO5/c1-11(24)13-9-20-10-16(26)22(13,27-3)19-21(20)6-7-23(2)15(20)8-12-4-5-14(25)18(28-19)17(12)21/h4-5,11,13,15-16,19,24-26H,6-10H2,1-3H3/t11-,13+,15+,16?,19+,20-,21-,22-/m0/s1
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n/an/an/an/a 15n/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHO membrane by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 17: 4829-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.050
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50216980
PNG
(CHEMBL401245 | UMB-94 | UMB94)
Show SMILES CO[C@]12[C@@H]3Oc4c5c(C[C@H]6N(C)CC[C@@]35[C@]6(CC1O)C[C@@H]2[C@@H](C)O)ccc4O |w:17.21,TEB:18:17:14.3:19.20|
Show InChI InChI=1S/C22H29NO5/c1-11(24)13-9-20-10-16(26)22(13,27-3)19-21(20)6-7-23(2)15(20)8-12-4-5-14(25)18(28-19)17(12)21/h4-5,11,13,15-16,19,24-26H,6-10H2,1-3H3/t11-,13-,15-,16?,19-,20+,21+,22+/m1/s1
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n/an/an/an/a 88n/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Agonist activity at human delta opioid receptor expressed in CHO membrane by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 17: 4829-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.050
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50216982
PNG
(CHEMBL235239 | UMB-97 | UMB97)
Show SMILES CO[C@]12CC(O)[C@@]3(C[C@@H]1[C@@H](C)O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1C)c45 |w:4.4,TLB:9:8:22.21:3.4,TEB:5:4:22.21:7.8|
Show InChI InChI=1S/C22H29NO5/c1-11(24)13-9-21-15-8-12-4-5-14(25)18-17(12)20(21,6-7-23(15)2)19(28-18)22(13,27-3)10-16(21)26/h4-5,11,13,15-16,19,24-26H,6-10H2,1-3H3/t11-,13-,15-,16?,19-,20+,21-,22-/m1/s1
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n/an/an/an/a 57n/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Agonist activity at human delta opioid receptor expressed in CHO membrane by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 17: 4829-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.050
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50216981
PNG
(CHEMBL238017 | UMB-95 | UMB95)
Show SMILES CO[C@]12[C@@H]3Oc4c5c(C[C@H]6N(C)CC[C@@]35[C@]6(CC1O)C[C@@H]2[C@H](C)O)ccc4O |w:17.21,TEB:18:17:14.3:19.20|
Show InChI InChI=1S/C22H29NO5/c1-11(24)13-9-20-10-16(26)22(13,27-3)19-21(20)6-7-23(2)15(20)8-12-4-5-14(25)18(28-19)17(12)21/h4-5,11,13,15-16,19,24-26H,6-10H2,1-3H3/t11-,13+,15+,16?,19+,20-,21-,22-/m0/s1
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n/an/an/an/a 210n/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in CHO membrane by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 17: 4829-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.050
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50216981
PNG
(CHEMBL238017 | UMB-95 | UMB95)
Show SMILES CO[C@]12[C@@H]3Oc4c5c(C[C@H]6N(C)CC[C@@]35[C@]6(CC1O)C[C@@H]2[C@H](C)O)ccc4O |w:17.21,TEB:18:17:14.3:19.20|
Show InChI InChI=1S/C22H29NO5/c1-11(24)13-9-20-10-16(26)22(13,27-3)19-21(20)6-7-23(2)15(20)8-12-4-5-14(25)18(28-19)17(12)21/h4-5,11,13,15-16,19,24-26H,6-10H2,1-3H3/t11-,13+,15+,16?,19+,20-,21-,22-/m0/s1
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n/an/an/an/a 21n/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Agonist activity at human delta opioid receptor expressed in CHO membrane by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 17: 4829-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.050
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50216980
PNG
(CHEMBL401245 | UMB-94 | UMB94)
Show SMILES CO[C@]12[C@@H]3Oc4c5c(C[C@H]6N(C)CC[C@@]35[C@]6(CC1O)C[C@@H]2[C@@H](C)O)ccc4O |w:17.21,TEB:18:17:14.3:19.20|
Show InChI InChI=1S/C22H29NO5/c1-11(24)13-9-20-10-16(26)22(13,27-3)19-21(20)6-7-23(2)15(20)8-12-4-5-14(25)18(28-19)17(12)21/h4-5,11,13,15-16,19,24-26H,6-10H2,1-3H3/t11-,13-,15-,16?,19-,20+,21+,22+/m1/s1
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n/an/an/an/a 240n/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in CHO membrane by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 17: 4829-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.050
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50216983
PNG
(CHEMBL392269 | UMB-96 | UMB96)
Show SMILES CO[C@]12CC(O)[C@@]3(C[C@@H]1[C@H](C)O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1C)c45 |w:4.4,TLB:9:8:22.21:3.4,TEB:5:4:22.21:7.8|
Show InChI InChI=1S/C22H29NO5/c1-11(24)13-9-21-15-8-12-4-5-14(25)18-17(12)20(21,6-7-23(15)2)19(28-18)22(13,27-3)10-16(21)26/h4-5,11,13,15-16,19,24-26H,6-10H2,1-3H3/t11-,13+,15+,16?,19+,20-,21+,22+/m0/s1
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n/an/an/an/a 520n/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in CHO membrane by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 17: 4829-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.050
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50216983
PNG
(CHEMBL392269 | UMB-96 | UMB96)
Show SMILES CO[C@]12CC(O)[C@@]3(C[C@@H]1[C@H](C)O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1C)c45 |w:4.4,TLB:9:8:22.21:3.4,TEB:5:4:22.21:7.8|
Show InChI InChI=1S/C22H29NO5/c1-11(24)13-9-21-15-8-12-4-5-14(25)18-17(12)20(21,6-7-23(15)2)19(28-18)22(13,27-3)10-16(21)26/h4-5,11,13,15-16,19,24-26H,6-10H2,1-3H3/t11-,13+,15+,16?,19+,20-,21+,22+/m0/s1
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n/an/an/an/a 89n/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHO membrane by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 17: 4829-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.050
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50216980
PNG
(CHEMBL401245 | UMB-94 | UMB94)
Show SMILES CO[C@]12[C@@H]3Oc4c5c(C[C@H]6N(C)CC[C@@]35[C@]6(CC1O)C[C@@H]2[C@@H](C)O)ccc4O |w:17.21,TEB:18:17:14.3:19.20|
Show InChI InChI=1S/C22H29NO5/c1-11(24)13-9-20-10-16(26)22(13,27-3)19-21(20)6-7-23(2)15(20)8-12-4-5-14(25)18(28-19)17(12)21/h4-5,11,13,15-16,19,24-26H,6-10H2,1-3H3/t11-,13-,15-,16?,19-,20+,21+,22+/m1/s1
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n/an/an/an/a 43n/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHO membrane by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 17: 4829-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.050
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50216982
PNG
(CHEMBL235239 | UMB-97 | UMB97)
Show SMILES CO[C@]12CC(O)[C@@]3(C[C@@H]1[C@@H](C)O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1C)c45 |w:4.4,TLB:9:8:22.21:3.4,TEB:5:4:22.21:7.8|
Show InChI InChI=1S/C22H29NO5/c1-11(24)13-9-21-15-8-12-4-5-14(25)18-17(12)20(21,6-7-23(15)2)19(28-18)22(13,27-3)10-16(21)26/h4-5,11,13,15-16,19,24-26H,6-10H2,1-3H3/t11-,13-,15-,16?,19-,20+,21-,22-/m1/s1
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n/an/an/an/a 720n/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in CHO membrane by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 17: 4829-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.050
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50216982
PNG
(CHEMBL235239 | UMB-97 | UMB97)
Show SMILES CO[C@]12CC(O)[C@@]3(C[C@@H]1[C@@H](C)O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1C)c45 |w:4.4,TLB:9:8:22.21:3.4,TEB:5:4:22.21:7.8|
Show InChI InChI=1S/C22H29NO5/c1-11(24)13-9-21-15-8-12-4-5-14(25)18-17(12)20(21,6-7-23(15)2)19(28-18)22(13,27-3)10-16(21)26/h4-5,11,13,15-16,19,24-26H,6-10H2,1-3H3/t11-,13-,15-,16?,19-,20+,21-,22-/m1/s1
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n/an/an/an/a 12n/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHO membrane by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 17: 4829-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.050
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50216983
PNG
(CHEMBL392269 | UMB-96 | UMB96)
Show SMILES CO[C@]12CC(O)[C@@]3(C[C@@H]1[C@H](C)O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1C)c45 |w:4.4,TLB:9:8:22.21:3.4,TEB:5:4:22.21:7.8|
Show InChI InChI=1S/C22H29NO5/c1-11(24)13-9-21-15-8-12-4-5-14(25)18-17(12)20(21,6-7-23(15)2)19(28-18)22(13,27-3)10-16(21)26/h4-5,11,13,15-16,19,24-26H,6-10H2,1-3H3/t11-,13+,15+,16?,19+,20-,21+,22+/m0/s1
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n/an/an/an/a 210n/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Agonist activity at human delta opioid receptor expressed in CHO membrane by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 17: 4829-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.050
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%