BDBM29213 casimiroin analogue, 1b

SMILES Cc1cc(=O)n(C)c2c3OCOc3ccc12

InChI Key InChIKey=FEMZVADPTYXZIF-UHFFFAOYSA-N

Data  2 IC50

PDB links: 1 PDB ID matches this monomer.

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 29213   

TargetAromatase(Homo sapiens (Human))
Purdue University

LigandPNGBDBM29213(casimiroin analogue, 1b)
Show SMILES Cc1cc(=O)n(C)c2c3OCOc3ccc12
Show InChI InChI=1S/C12H11NO3/c1-7-5-10(14)13(2)11-8(7)3-4-9-12(11)16-6-15-9/h3-5H,6H2,1-2H3
Affinity DataIC50: 1.25E+3nMAssay Description:Aromatase inhibition was quantified by measuring the fluorescent intensity of fluorescein, the hydrolysis product of dibenzylfluorescein (DBF), by ar...More data for this Ligand-Target Pair
TargetRibosyldihydronicotinamide dehydrogenase [quinone](Homo sapiens (Human))
Purdue University

LigandPNGBDBM29213(casimiroin analogue, 1b)
Show SMILES Cc1cc(=O)n(C)c2c3OCOc3ccc12
Show InChI InChI=1S/C12H11NO3/c1-7-5-10(14)13(2)11-8(7)3-4-9-12(11)16-6-15-9/h3-5H,6H2,1-2H3
Affinity DataIC50: 6.20E+3nMpH: 7.5 T: 2°CAssay Description:The activity of QR2 under steady-state conditions was evaluated on SpectraMax Plus 384 UV/vis spectrophotometer by monitoring the increase in absorba...More data for this Ligand-Target Pair