BDBM50094717 Acetic acid 1-[5'-(1,6-diacetoxy-undecyl)-octahydro-[2,2']bifuranyl-5-yl]-13-(5-methyl-2-oxo-2,5-dihydro-furan-3-yl)-tridecyl ester::CHEMBL357600
SMILES: CCCCCC(CCCC[C@H](OC(C)=O)[C@H]1CC[C@@H](O1)[C@H]1CC[C@@H](O1)[C@@H](CCCCCCCCCCCCC1=C[C@H](C)OC1=O)OC(C)=O)OC(C)=O
InChI Key: InChIKey=NZHKXAMABVRCCW-FVTLWSSBSA-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 |
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Mitochondrial complex I; NADH oxidoreductase (Bos taurus) | BDBM50094717 (Acetic acid 1-[5'-(1,6-diacetoxy-undecyl)-octahydr...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 2.10 | 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 |