BDBM50094732 3-[13-Hydroxy-2-oxo-13-(5'-undecanoyl-octahydro-[2,2']bifuranyl-5-yl)-tridecyl]-5-methyl-5H-furan-2-one(4,24-didehydroxy-4,24-dioxorolliniastatin-1)::CHEMBL142276
SMILES: CCCCCCCCCCC(=O)[C@H]1CC[C@H](O1)[C@@H]1CC[C@@H](O1)[C@H](O)CCCCCCCCCCC(=O)CC1=C[C@H](C)OC1=O
InChI Key: InChIKey=CBHPKKNEMFYONB-MOXLYIMVSA-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) | BDBM50094732 (3-[13-Hydroxy-2-oxo-13-(5'-undecanoyl-octahydro-[2...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 0.340 | 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 |