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BDBM83238 (6aR,9R,9aR)-3-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dienyl]-9-ethanoyl-6a-methyl-9,9a-dihydrofuro[2,3-h]isochromene-6,8-dione::(6aR,9R,9aR)-9-acetyl-3-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dienyl]-6a-methyl-9,9a-dihydrofur[2,3-h]isochromene-6,8-quinone::(6aR,9R,9aR)-9-acetyl-3-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dienyl]-6a-methyl-9,9a-dihydrofuro[2,3-h][2]benzopyran-6,8-dione::(6aR,9R,9aR)-9-acetyl-3-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dienyl]-6a-methyl-9,9a-dihydrofuro[2,3-h]isochromene-6,8-dione::MLS000876965::SMR000440628::cid_6451074
SMILES: CC[C@H](C)\C=C(/C)\C=C\C1=CC2=CC(=O)[C@]3(C)OC(=O)[C@H]([C@@H]3C2=CO1)C(C)=O
InChI Key: InChIKey=GAIVGINVGXHEIA-UHFFFAOYSA-N
Data: 2 IC50
| Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Toll-like receptor 9 (Human) | BDBM83238![]() ((6aR,9R,9aR)-9-acetyl-3-[(1E,3E,5S)-3,5-dimethylhe...) | GoogleScholar | UniChem | n/a | n/a | 1.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Beta-lactamase (Pseudomonas aeruginosa) | BDBM83238![]() ((6aR,9R,9aR)-9-acetyl-3-[(1E,3E,5S)-3,5-dimethylhe...) | GoogleScholar | UniChem | n/a | n/a | 8.86E+3 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||