BDBM50213693 (3S,5S,8R,9S,10S,13R,14R,17R)-5,13-dimethyl-17-((R)-6-methylheptan-2-yl)-14-(oxiran-2-ylmethyl)-hexadecahydro-1H-cyclopenta[a]phenanthrene-3,10-diol::CHEMBL398686
SMILES: CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(CC3CO3)[C@@H]3CC[C@@]4(C)C[C@@H](O)CC[C@]4(O)[C@H]3CC[C@]12C
InChI Key: InChIKey=FYBXFTKMXVTULJ-GURYXTELSA-N
Data: 1 KI
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cytochrome P450 51 (Rattus norvegicus) | BDBM50213693 ((3S,5S,8R,9S,10S,13R,14R,17R)-5,13-dimethyl-17-((R...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sinhgad College of Pharmacy Curated by ChEMBL | Assay Description Inhibition of rat liver LDM | Bioorg Med Chem 15: 4674-99 (2007) Article DOI: 10.1016/j.bmc.2007.04.031 BindingDB Entry DOI: 10.7270/Q24J0FZ9 | |||||||||||
More data for this Ligand-Target Pair |