BDBM50326776 2,3,14,20,22-PENTAHYDROXYCHOLEST-7-EN-6-ONE::CHEMBL549789::Ponasterone A

SMILES CC(C)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=PJYYBCXMCWDUAZ-JJJZTNILSA-N

Data  2 KI  4 IC50

PDB links: 5 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50326776   

TargetUltraspiracle(Nezara viridula)
Csiro Materials Science And Engineering And Csiro Food And Nutritional Sciences

Curated by ChEMBL
LigandPNGBDBM50326776(2,3,14,20,22-PENTAHYDROXYCHOLEST-7-EN-6-ONE | CHEM...)
Affinity DataKi:  200nMAssay Description:Displacement of [3H]PonA from recombinant Nezara viridula EcR11More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetUltraspiracle(Nezara viridula)
Csiro Materials Science And Engineering And Csiro Food And Nutritional Sciences

Curated by ChEMBL
LigandPNGBDBM50326776(2,3,14,20,22-PENTAHYDROXYCHOLEST-7-EN-6-ONE | CHEM...)
Affinity DataKi:  200nMAssay Description:Displacement of [3H]PonA from recombinant Nezara viridula EcR10More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetUltraspiracle(Nezara viridula)
Csiro Materials Science And Engineering And Csiro Food And Nutritional Sciences

Curated by ChEMBL
LigandPNGBDBM50326776(2,3,14,20,22-PENTAHYDROXYCHOLEST-7-EN-6-ONE | CHEM...)
Affinity DataIC50:  280nMAssay Description:Displacement of [3H]PonA from recombinant Nezara viridula EcR10More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetUltraspiracle(Nezara viridula)
Csiro Materials Science And Engineering And Csiro Food And Nutritional Sciences

Curated by ChEMBL
LigandPNGBDBM50326776(2,3,14,20,22-PENTAHYDROXYCHOLEST-7-EN-6-ONE | CHEM...)
Affinity DataIC50:  250nMAssay Description:Displacement of [3H]PonA from recombinant Nezara viridula EcR11More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEcdysone receptor(Drosophila melanogaster)
Kyoto University

Curated by ChEMBL
LigandPNGBDBM50326776(2,3,14,20,22-PENTAHYDROXYCHOLEST-7-EN-6-ONE | CHEM...)
Affinity DataIC50:  1.29nMAssay 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
TargetEcdysone receptor(Lucilia cuprina)
Csiro Molecular And Health Technologies

Curated by ChEMBL
LigandPNGBDBM50326776(2,3,14,20,22-PENTAHYDROXYCHOLEST-7-EN-6-ONE | CHEM...)
Affinity DataIC50:  900nMAssay 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