BDBM50129980 3,4,5-Trihydroxy-6-(3-{[4-((8S,11R,13S,14S,17S)-17-hydroxy-13-methyl-3-oxo-17-prop-1-ynyl-2,3,6,7,8,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-11-yl)-phenyl]-methyl-amino}-propyl)-tetrahydro-pyran-2-carboxylic acid::CHEMBL78124
SMILES: CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)CCCC1OC(C(O)C(O)C1O)C(O)=O
InChI Key: InChIKey=SXSJBHOSJGHDBE-SAOFNWJPSA-N
Data: 3 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Glucocorticoid receptor (Homo sapiens (Human)) | BDBM50129980![]() (3,4,5-Trihydroxy-6-(3-{[4-((8S,11R,13S,14S,17S)-17...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 550 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories Curated by ChEMBL | Assay Description Inhibition of Dexamethasone stimulated transcriptional activity in CHO cells expressing glucocorticoid receptor | Bioorg Med Chem Lett 13: 2307-10 (2003) BindingDB Entry DOI: 10.7270/Q28W3DVC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Glucocorticoid receptor (Homo sapiens (Human)) | BDBM50129980![]() (3,4,5-Trihydroxy-6-(3-{[4-((8S,11R,13S,14S,17S)-17...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories Curated by ChEMBL | Assay Description Inhibition of Dexamethasone binding to Glucocorticoid receptor | Bioorg Med Chem Lett 13: 2307-10 (2003) BindingDB Entry DOI: 10.7270/Q28W3DVC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Glucocorticoid (RAT) | BDBM50129980![]() (3,4,5-Trihydroxy-6-(3-{[4-((8S,11R,13S,14S,17S)-17...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories Curated by ChEMBL | Assay Description Inhibition of prednisilone-induced tyrosine aminotransferase (TAT) activity in rat hepatocytes | Bioorg Med Chem Lett 13: 2307-10 (2003) BindingDB Entry DOI: 10.7270/Q28W3DVC | |||||||||||
More data for this Ligand-Target Pair |