BDBM50116000 (S)-3-{(12R,13R)-13-Hydroxy-13-[(4R,2'R,5'R)-5'-((R)-1-hydroxy-undecyl)-octahydro-[2,2']bifuranyl-5-yl]-tridecyl}-5-methyl-5H-furan-2-one::(S)-3-{(R)-13-Hydroxy-13-[(2R,5R,1'R,3'R)-5'-((R)-1-hydroxy-undecyl)-octahydro-[2,2']bifuranyl-5-yl]-tridecyl}-5-methyl-5H-furan-2-one::(S)-3-{(R)-13-Hydroxy-13-[(2R,5R,2'R,5'R)-5'-((R)-1-hydroxy-undecyl)-octahydro-[2,2']bifuranyl-5-yl]-tridecyl}-5-methyl-5H-furan-2-one::CHEMBL62800
SMILES: CCCCCCCCCC[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=URLVCROWVOSNPT-XOTOMLERSA-N
Data: 3 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
NADH-ubiquinone oxidoreductase subunit B14.7 (Bos taurus) | BDBM50116000 ((S)-3-{(12R,13R)-13-Hydroxy-13-[(4R,2'R,5'R)-5'-((...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University Curated by ChEMBL | Assay Description Inhibitory activity of the compound against bovine heart mitochondrial NADH ubiquinone oxidoreductase (complex I) | Bioorg Med Chem Lett 12: 2089-92 (2002) BindingDB Entry DOI: 10.7270/Q29S1QCB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mitochondrial complex I; NADH oxidoreductase (Bos taurus) | BDBM50116000 ((S)-3-{(12R,13R)-13-Hydroxy-13-[(4R,2'R,5'R)-5'-((...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 0.75 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University Curated by ChEMBL | Assay Description Inhibitory concentration needed to halve the control NADH oxidase activity in bovine heart submitochondrial particles (SMP) | Bioorg Med Chem Lett 14: 779-82 (2004) BindingDB Entry DOI: 10.7270/Q2ZC8290 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mitochondrial complex I; NADH oxidoreductase (Bos taurus) | BDBM50116000 ((S)-3-{(12R,13R)-13-Hydroxy-13-[(4R,2'R,5'R)-5'-((...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University Curated by ChEMBL | Assay Description Inhibition of complex I activity was determined by NADH oxidase assay using bovine heart submitochondrial particles. | Bioorg Med Chem Lett 13: 2385-8 (2003) BindingDB Entry DOI: 10.7270/Q2N58MWC | |||||||||||
More data for this Ligand-Target Pair |