BDBM50326777 (2beta,3beta,5beta,22R)-2,3,14,20,22,25-hexahydroxycholest-7-en-6-one::20-hydroxyecdysone::CHEMBL224128

SMILES CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C

InChI Key InChIKey=NKDFYOWSKOHCCO-YPVLXUMRSA-N

Data  2 KI  9 IC50

PDB links: 1 PDB ID matches this monomer.

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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50326777   

TargetUltraspiracle(Southern green stink bug)
Csiro Materials Science and Engineering and Csiro Food and Nutritional Sciences

Curated by ChEMBL
LigandPNGBDBM50326777((2beta,3beta,5beta,22R)-2,3,14,20,22,25-hexahydrox...)
Affinity DataKi:  2.50E+3nMAssay Description:Displacement of [3H]PonA from recombinant Nezara viridula EcR10More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetUltraspiracle(Southern green stink bug)
Csiro Materials Science and Engineering and Csiro Food and Nutritional Sciences

Curated by ChEMBL
LigandPNGBDBM50326777((2beta,3beta,5beta,22R)-2,3,14,20,22,25-hexahydrox...)
Affinity DataKi:  3.00E+3nMAssay Description:Displacement of [3H]PonA from recombinant Nezara viridula EcR11More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEcdysone receptor(Fruit fly)
Kyoto University

Curated by ChEMBL
LigandPNGBDBM50326777((2beta,3beta,5beta,22R)-2,3,14,20,22,25-hexahydrox...)
Affinity DataIC50:  45.7nMAssay Description:Binding affinity to ecdysone receptor ligand binding domain in Drosophila melanogaster assessed as number of hydrogen bonds formedMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEcdysone receptor/Ultraspiracle(Colorado potato beetle)
Csiro Materials Science and Engineering and Csiro Food and Nutritional Sciences

Curated by ChEMBL
LigandPNGBDBM50326777((2beta,3beta,5beta,22R)-2,3,14,20,22,25-hexahydrox...)
Affinity DataIC50:  437nMAssay Description:Binding affinity to Leptinotarsa decemlineata EcRMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProtein ultraspiracle(Fruit fly)
Csiro Materials Science and Engineering and Csiro Food and Nutritional Sciences

Curated by ChEMBL
LigandPNGBDBM50326777((2beta,3beta,5beta,22R)-2,3,14,20,22,25-hexahydrox...)
Affinity DataIC50:  46nMAssay Description:Binding affinity to Drosophila melanogaster EcRMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetUltraspiracle(Southern green stink bug)
Csiro Materials Science and Engineering and Csiro Food and Nutritional Sciences

Curated by ChEMBL
LigandPNGBDBM50326777((2beta,3beta,5beta,22R)-2,3,14,20,22,25-hexahydrox...)
Affinity DataIC50:  1.05E+3nMAssay Description:Binding affinity to Nezara viridula EcRMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetUltraspiracle(Southern green stink bug)
Csiro Materials Science and Engineering and Csiro Food and Nutritional Sciences

Curated by ChEMBL
LigandPNGBDBM50326777((2beta,3beta,5beta,22R)-2,3,14,20,22,25-hexahydrox...)
Affinity DataIC50:  3.00E+3nMAssay Description:Displacement of [3H]PonA from recombinant Nezara viridula EcR10More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetUltraspiracle protein(Fall armyworm)
Csiro Materials Science and Engineering and Csiro Food and Nutritional Sciences

Curated by ChEMBL
LigandPNGBDBM50326777((2beta,3beta,5beta,22R)-2,3,14,20,22,25-hexahydrox...)
Affinity DataIC50:  166nMAssay Description:Binding affinity to Spodoptera frugiperda (fall armyworm) EcRMore data for this Ligand-Target Pair
TargetEcdysone receptor(Green bottle fly)
Csiro Molecular and Health Technologies

Curated by ChEMBL
LigandPNGBDBM50326777((2beta,3beta,5beta,22R)-2,3,14,20,22,25-hexahydrox...)
Affinity DataIC50:  5.50E+3nMAssay Description:Binding affinity to Lucilia cuprina recombinant ecdysone receptor ligand binding domain after 3 hrs by fluorescence polarization assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCholinesterase(Human)
University of Monastir

Curated by ChEMBL
LigandPNGBDBM50326777((2beta,3beta,5beta,22R)-2,3,14,20,22,25-hexahydrox...)
Affinity DataIC50:  1.05E+6nMAssay Description:Inhibition of BchE in human plasma incubated for 30 mins using butyrylthiocholine substrate at 37 degC by DTNB dye based spectrophotometryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetUltraspiracle(Southern green stink bug)
Csiro Materials Science and Engineering and Csiro Food and Nutritional Sciences

Curated by ChEMBL
LigandPNGBDBM50326777((2beta,3beta,5beta,22R)-2,3,14,20,22,25-hexahydrox...)
Affinity DataIC50:  4.50E+3nMAssay Description:Displacement of [3H]PonA from recombinant Nezara viridula EcR11More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed