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
Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Ultraspiracle (Nezara viridula) | BDBM50326776 (2,3,14,20,22-PENTAHYDROXYCHOLEST-7-EN-6-ONE | CHEM...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CSIRO Materials Science and Engineering and CSIRO Food and Nutritional Sciences Curated by ChEMBL | Assay Description Displacement of [3H]PonA from recombinant Nezara viridula EcR11 | Pest Manag Sci 67: 1457-67 (2011) Article DOI: 10.1002/ps.2200 BindingDB Entry DOI: 10.7270/Q2B27Z6B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Ultraspiracle (Nezara viridula) | BDBM50326776 (2,3,14,20,22-PENTAHYDROXYCHOLEST-7-EN-6-ONE | CHEM...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CSIRO Materials Science and Engineering and CSIRO Food and Nutritional Sciences Curated by ChEMBL | Assay Description Displacement of [3H]PonA from recombinant Nezara viridula EcR10 | Pest Manag Sci 67: 1457-67 (2011) Article DOI: 10.1002/ps.2200 BindingDB Entry DOI: 10.7270/Q2B27Z6B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Ultraspiracle (Nezara viridula) | BDBM50326776 (2,3,14,20,22-PENTAHYDROXYCHOLEST-7-EN-6-ONE | CHEM...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 280 | n/a | n/a | n/a | n/a | n/a | n/a |
CSIRO Materials Science and Engineering and CSIRO Food and Nutritional Sciences Curated by ChEMBL | Assay Description Displacement of [3H]PonA from recombinant Nezara viridula EcR10 | Pest Manag Sci 67: 1457-67 (2011) Article DOI: 10.1002/ps.2200 BindingDB Entry DOI: 10.7270/Q2B27Z6B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Ultraspiracle (Nezara viridula) | BDBM50326776 (2,3,14,20,22-PENTAHYDROXYCHOLEST-7-EN-6-ONE | CHEM...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
CSIRO Materials Science and Engineering and CSIRO Food and Nutritional Sciences Curated by ChEMBL | Assay Description Displacement of [3H]PonA from recombinant Nezara viridula EcR11 | Pest Manag Sci 67: 1457-67 (2011) Article DOI: 10.1002/ps.2200 BindingDB Entry DOI: 10.7270/Q2B27Z6B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Ecdysone receptor (Drosophila melanogaster) | BDBM50326776 (2,3,14,20,22-PENTAHYDROXYCHOLEST-7-EN-6-ONE | CHEM...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 1.29 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University Curated by ChEMBL | Assay Description Binding affinity to ecdysone receptor ligand binding domain in Drosophila melanogaster assessed as number of hydrogen bonds formed | Bioorg Med Chem 17: 5868-73 (2009) Article DOI: 10.1016/j.bmc.2009.07.011 BindingDB Entry DOI: 10.7270/Q2H70H2S | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Ecdysone receptor (Lucilia cuprina) | BDBM50326776 (2,3,14,20,22-PENTAHYDROXYCHOLEST-7-EN-6-ONE | CHEM...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 900 | n/a | n/a | n/a | n/a | n/a | n/a |
CSIRO Molecular and Health Technologies Curated by ChEMBL | Assay Description Binding affinity to Lucilia cuprina recombinant ecdysone receptor ligand binding domain after 3 hrs by fluorescence polarization assay | Bioorg Med Chem 18: 5647-60 (2010) Article DOI: 10.1016/j.bmc.2010.06.020 BindingDB Entry DOI: 10.7270/Q2MK6D43 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |