BDBM50291654 (R)-3-{(2R,13R)-2,13-Dihydroxy-13-[(2S,5R,2'S,5'R)-5'-((S)-1-hydroxy-undecyl)-octahydro-[2,2']bifuranyl-5-yl]-tridecyl}-5-methyl-5H-furan-2-one::CHEMBL13710
SMILES: CCCCCCCCCC[C@H](O)[C@H]1CC[C@H](O1)[C@@H]1CC[C@@H](O1)[C@H](O)CCCCCCCCCC[C@@H](O)CC1=C[C@@H](C)OC1=O
InChI Key: InChIKey=MBABCNBNDNGODA-UXYZVLHJSA-N
Data: 1 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Mitochondrial complex I; NADH oxidoreductase (Bos taurus) | BDBM50291654 ((R)-3-{(2R,13R)-2,13-Dihydroxy-13-[(2S,5R,2'S,5'R)...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article | n/a | n/a | 0.580 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Concentration required for the inhibition of NADH oxidase in submitochondrial particles from beef heart | Bioorg Med Chem Lett 7: 1113-1118 (1997) Article DOI: 10.1016/S0960-894X(97)00171-6 BindingDB Entry DOI: 10.7270/Q20P101B | |||||||||||
More data for this Ligand-Target Pair |