BDBM50094729 3-{13-Hydroxy-13-[5'-(1-hydroxy-5-oxo-undecyl)-octahydro-[2,2']bifuranyl-5-yl]-tridecyl}-5-methyl-5H-furan-2-one(28-dehydroxy-28-oxosquamocin)::CHEMBL357666
SMILES: CCCCCCC(=O)CCC[C@H](O)[C@H]1CC[C@@H](O1)[C@H]1CC[C@@H](O1)[C@H](O)CCCCCCCCCCCCC1=C[C@H](C)OC1=O
InChI Key: InChIKey=UXAFVVQVJFYYBS-QJUHSENFSA-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) | BDBM50094729 (3-{13-Hydroxy-13-[5'-(1-hydroxy-5-oxo-undecyl)-oct...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 0.650 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Valencia Curated by ChEMBL | Assay Description Inhibition of NADH oxidase activity. | J Med Chem 43: 4793-800 (2000) BindingDB Entry DOI: 10.7270/Q2FN16WQ | |||||||||||
More data for this Ligand-Target Pair |