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SMILES: CO[C@@H]1O[C@H](OC)[C@](O)([C@@H]1OC(C)=O)C1C[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=ZXOHNEDNMSDIEX-UXMQSPJBSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50216145   
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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50216145
PNG
(CHEMBL226727 | methyl (1S,2R,7R,10R,11R,13S)-13-(a...)
Show SMILES CO[C@@H]1O[C@H](OC)[C@](O)([C@@H]1OC(C)=O)C1C[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/C27H38O13/c1-12(28)37-16-10-15(21(31)34-5)25(3)9-8-14-22(32)39-17(11-26(14,4)19(25)18(16)30)27(33)20(38-13(2)29)23(35-6)40-24(27)36-7/h14-17,19-20,23-24,33H,8-11H2,1-7H3/t14-,15-,16-,17?,19-,20+,23+,24-,25-,26-,27+/m0/s1
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PC cid
PC sid
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Similars

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))
BDBM50216145
PNG
(CHEMBL226727 | methyl (1S,2R,7R,10R,11R,13S)-13-(a...)
Show SMILES CO[C@@H]1O[C@H](OC)[C@](O)([C@@H]1OC(C)=O)C1C[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/C27H38O13/c1-12(28)37-16-10-15(21(31)34-5)25(3)9-8-14-22(32)39-17(11-26(14,4)19(25)18(16)30)27(33)20(38-13(2)29)23(35-6)40-24(27)36-7/h14-17,19-20,23-24,33H,8-11H2,1-7H3/t14-,15-,16-,17?,19-,20+,23+,24-,25-,26-,27+/m0/s1
PDB

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antibodypedia
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PC cid
PC sid
UniChem

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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 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))
BDBM50216145
PNG
(CHEMBL226727 | methyl (1S,2R,7R,10R,11R,13S)-13-(a...)
Show SMILES CO[C@@H]1O[C@H](OC)[C@](O)([C@@H]1OC(C)=O)C1C[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/C27H38O13/c1-12(28)37-16-10-15(21(31)34-5)25(3)9-8-14-22(32)39-17(11-26(14,4)19(25)18(16)30)27(33)20(38-13(2)29)23(35-6)40-24(27)36-7/h14-17,19-20,23-24,33H,8-11H2,1-7H3/t14-,15-,16-,17?,19-,20+,23+,24-,25-,26-,27+/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/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