BDBM50311123 (2R,3S,4R,5R,6S)-2-((1R,2E,4E,8S,9S,14E,16E,18E,20R)-11-((1R)-((2R,3R,4S,5R)-2,4-dihydroxy-6-((R)-2-((2R,4S,5S,6S)-4-hydroxy-5-((2S,4R,5R,6R)-5-hydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yloxy)-4,6-dimethyltetrahydro-2H-pyran-2-yloxy)-3-methoxypropyl)-3,5-dimethyltetrahydro-2H-pyran-2-yl)(hydroxy)methyl)-8-hydroxy-9-methoxy-4,14,16,18,20-pentamethyl-13-oxocycloicosa-2,4,14,16,18-pentaenyloxy)-4-hydroxy-5-methoxy-6-methyltetrahydro-2H-pyran-3-yl benzoate::CHEMBL1077465
SMILES: COC[C@@H](CC1O[C@@](O)([C@H](O)C2C[C@H](OC)[C@@H](O)CC\C=C(/C)\C=C\[C@@H](O[C@@H]3O[C@@H](C)[C@H](OC)[C@@H](O)[C@@H]3OC(=O)c3ccccc3)[C@H](C)\C=C(C)\C=C(C)C=C(C)C(=O)C2)[C@H](C)[C@@H](O)[C@H]1C)O[C@H]1C[C@](C)(O)[C@@H](O[C@H]2C[C@@H](OC)[C@H](O)[C@@H](C)O2)[C@H](C)O1
InChI Key: InChIKey=HTZSGRKELWPYHA-JXPQDGIUSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
ATP synthase subunit beta, mitochondrial (Saccharomyces cerevisiae) | BDBM50311123 ((2R,3S,4R,5R,6S)-2-((1R,2E,4E,8S,9S,14E,16E,18E,20...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Yale University Curated by ChEMBL | Assay Description Inhibition of yeast mitochondrial F0F1-ATPase | J Nat Prod 72: 1864-9 (2009) Article DOI: 10.1021/np9004932 BindingDB Entry DOI: 10.7270/Q2QC03M7 | |||||||||||
More data for this Ligand-Target Pair |