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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

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 83238   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Toll-like receptor 9


(Human)
BDBM83238
PNG
((6aR,9R,9aR)-9-acetyl-3-[(1E,3E,5S)-3,5-dimethylhe...)
GoogleScholar
UniChem
n/an/a 1.60E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Beta-lactamase


(Pseudomonas aeruginosa)
BDBM83238
PNG
((6aR,9R,9aR)-9-acetyl-3-[(1E,3E,5S)-3,5-dimethylhe...)
GoogleScholar
UniChem
n/an/a 8.86E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair