BDBM50272400 (8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl pentylcarbamate::CHEMBL499630
SMILES: CCCCCNC(=O)O[C@@]1([C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)CO
InChI Key: InChIKey=PXEYRAVUWVPDKI-DGAWKMIRSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Interstitial collagenase (Homo sapiens (Human)) | BDBM50272400 ((8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11-hydrox...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 18 | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of glucocorticoid-mediated human MMP1 expression in PMA stimulated A549 cells assessed as MMP1 protein level by ELISA | Bioorg Med Chem 16: 7535-42 (2008) Article DOI: 10.1016/j.bmc.2008.07.037 BindingDB Entry DOI: 10.7270/Q2CC10HX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine aminotransferase (Rattus norvegicus) | BDBM50272400 ((8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11-hydrox...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 117 | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Transactivation activity of tyrosine amino transferase in rat H4 cells | Bioorg Med Chem 16: 7535-42 (2008) Article DOI: 10.1016/j.bmc.2008.07.037 BindingDB Entry DOI: 10.7270/Q2CC10HX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Glucocorticoid receptor (Homo sapiens (Human)) | BDBM50272400 ((8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11-hydrox...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of human glucocorticoid receptor | Bioorg Med Chem 16: 7535-42 (2008) Article DOI: 10.1016/j.bmc.2008.07.037 BindingDB Entry DOI: 10.7270/Q2CC10HX | |||||||||||
More data for this Ligand-Target Pair |