BDBM32021 4,5-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracene-2-carboxylic acid::4,5-dihydroxy-9,10-diketo-anthracene-2-carboxylic acid::4,5-dihydroxy-9,10-dioxo-2-anthracenecarboxylic acid::4,5-dihydroxy-9,10-dioxoanthracene-2-carboxylic acid::MLS000069639::RHEIN::SMR000058210::US20230364057, Compound 82::US9238626, Rhein::cid_10168

SMILES OC(=O)c1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1

InChI Key InChIKey=FCDLCPWAQCPTKC-UHFFFAOYSA-N

Data  17 IC50  1 Kd  2 EC50

PDB links: 3 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 32021   

TargetAcetylcholinesterase(Homo sapiens (Human))
Universitat De Barcelona

US Patent
LigandPNGBDBM32021(4,5-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen...)
Affinity DataIC50: >1.00E+4nMpH: 8.0 T: 2°CAssay Description:AChE inhibitory activity of compounds (Ia)-(Ie) and (-)-(Ib) and (+)-(Ib) was evaluated spectrophotometrically at 25° C. by the method of Ellma...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetCholinesterase(Homo sapiens (Human))
Universitat De Barcelona

US Patent
LigandPNGBDBM32021(4,5-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen...)
Affinity DataIC50:  1.70E+4nMpH: 8.0 T: 2°CAssay Description:BChE inhibitory activity determinations were carried out similarly by the method of Ellman et al., using 0.02 unit/mL of human serum BChE and 300 u...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetAcetylcholinesterase(Electrophorus electricus (Electric eel))
Universitat De Barcelona

US Patent
LigandPNGBDBM32021(4,5-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen...)
Affinity DataIC50:  637nMpH: 8.0 T: 2°CAssay Description:AChE inhibitory activity of compounds (Ia)-(Ie) and (-)-(Ib) and (+)-(Ib) was evaluated spectrophotometrically at 25° C. by the method of Ellma...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetAcetylcholinesterase(Homo sapiens (Human))
Universitat De Barcelona

US Patent
LigandPNGBDBM32021(4,5-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate preincubated for 20 mins by Ellman's methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCholinesterase(Homo sapiens (Human))
Universitat De Barcelona

US Patent
LigandPNGBDBM32021(4,5-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen...)
Affinity DataIC50:  1.70E+4nMAssay Description:Inhibition of human serum BChE using butyrylthiocholine iodide as substrate preincubated for 20 mins by Ellman's methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed