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SMILES: CO[C@@H]1C[C@H]([C@@H](OC)O1)[C@@H]1C[C@@]2(C)[C@@H](CC[C@@]3(C)[C@@H](C[C@H](OC(C)=O)C(=O)[C@H]23)C(=O)OC)C(=O)O1

InChI Key: InChIKey=QNTIXTKRQLQUOI-RTUMYQEZSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50216133   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50216133
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-2-((...)
Show SMILES CO[C@@H]1C[C@H]([C@@H](OC)O1)[C@@H]1C[C@@]2(C)[C@@H](CC[C@@]3(C)[C@@H](C[C@H](OC(C)=O)C(=O)[C@H]23)C(=O)OC)C(=O)O1
Show InChI InChI=1S/C25H36O10/c1-12(26)33-16-10-15(21(28)31-5)24(2)8-7-14-22(29)34-17(11-25(14,3)20(24)19(16)27)13-9-18(30-4)35-23(13)32-6/h13-18,20,23H,7-11H2,1-6H3/t13-,14-,15-,16-,17-,18-,20-,23-,24-,25-/m0/s1
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Article
PubMed
25n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Displacement of [125I]IOXY from human kappa opioid receptor expressed in CHO cells


J Med Chem 50: 3596-603 (2007)


Article DOI: 10.1021/jm070393d
BindingDB Entry DOI: 10.7270/Q2ZK5HH0
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50216133
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-2-((...)
Show SMILES CO[C@@H]1C[C@H]([C@@H](OC)O1)[C@@H]1C[C@@]2(C)[C@@H](CC[C@@]3(C)[C@@H](C[C@H](OC(C)=O)C(=O)[C@H]23)C(=O)OC)C(=O)O1
Show InChI InChI=1S/C25H36O10/c1-12(26)33-16-10-15(21(28)31-5)24(2)8-7-14-22(29)34-17(11-25(14,3)20(24)19(16)27)13-9-18(30-4)35-23(13)32-6/h13-18,20,23H,7-11H2,1-6H3/t13-,14-,15-,16-,17-,18-,20-,23-,24-,25-/m0/s1
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1.37E+3n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opioid receptor expressed in CHO cells by [35S]GTP-gamma-S binding assay


J Med Chem 50: 3596-603 (2007)


Article DOI: 10.1021/jm070393d
BindingDB Entry DOI: 10.7270/Q2ZK5HH0
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50216133
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-2-((...)
Show SMILES CO[C@@H]1C[C@H]([C@@H](OC)O1)[C@@H]1C[C@@]2(C)[C@@H](CC[C@@]3(C)[C@@H](C[C@H](OC(C)=O)C(=O)[C@H]23)C(=O)OC)C(=O)O1
Show InChI InChI=1S/C25H36O10/c1-12(26)33-16-10-15(21(28)31-5)24(2)8-7-14-22(29)34-17(11-25(14,3)20(24)19(16)27)13-9-18(30-4)35-23(13)32-6/h13-18,20,23H,7-11H2,1-6H3/t13-,14-,15-,16-,17-,18-,20-,23-,24-,25-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Displacement of [125I]IOXY from human mu opioid receptor expressed in CHO cells


J Med Chem 50: 3596-603 (2007)


Article DOI: 10.1021/jm070393d
BindingDB Entry DOI: 10.7270/Q2ZK5HH0
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50216133
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-2-((...)
Show SMILES CO[C@@H]1C[C@H]([C@@H](OC)O1)[C@@H]1C[C@@]2(C)[C@@H](CC[C@@]3(C)[C@@H](C[C@H](OC(C)=O)C(=O)[C@H]23)C(=O)OC)C(=O)O1
Show InChI InChI=1S/C25H36O10/c1-12(26)33-16-10-15(21(28)31-5)24(2)8-7-14-22(29)34-17(11-25(14,3)20(24)19(16)27)13-9-18(30-4)35-23(13)32-6/h13-18,20,23H,7-11H2,1-6H3/t13-,14-,15-,16-,17-,18-,20-,23-,24-,25-/m0/s1
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Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Displacement of [125I]IOXY from human delta opioid receptor expressed in CHO cells


J Med Chem 50: 3596-603 (2007)


Article DOI: 10.1021/jm070393d
BindingDB Entry DOI: 10.7270/Q2ZK5HH0
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50216133
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-2-((...)
Show SMILES CO[C@@H]1C[C@H]([C@@H](OC)O1)[C@@H]1C[C@@]2(C)[C@@H](CC[C@@]3(C)[C@@H](C[C@H](OC(C)=O)C(=O)[C@H]23)C(=O)OC)C(=O)O1
Show InChI InChI=1S/C25H36O10/c1-12(26)33-16-10-15(21(28)31-5)24(2)8-7-14-22(29)34-17(11-25(14,3)20(24)19(16)27)13-9-18(30-4)35-23(13)32-6/h13-18,20,23H,7-11H2,1-6H3/t13-,14-,15-,16-,17-,18-,20-,23-,24-,25-/m0/s1
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Article
PubMed
n/an/an/an/a 2.35E+3n/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Antagonist activity at human kappa opioid receptor expressed in CHO cells by [35S]GTP-gamma-S binding assay


J Med Chem 50: 3596-603 (2007)


Article DOI: 10.1021/jm070393d
BindingDB Entry DOI: 10.7270/Q2ZK5HH0
More data for this
Ligand-Target Pair