BDBM16415 (1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetic acid::2-{2,4-dioxo-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(12),5,7,9(13),10-pentaen-3-yl}acetic acid::Alrestatin::CHEMBL63055::PiG::Spectrum_001449::Tocris-0485

SMILES OC(=O)CN1C(=O)c2cccc3cccc(C1=O)c23

InChI Key InChIKey=GCUCIFQCGJIRNT-UHFFFAOYSA-N

Data  2 KI  10 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 16415   

TargetAldo-keto reductase family 1 member B1(Homo sapiens (Human))
Medical College Of Wiscosin

LigandPNGBDBM16415((1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetic...)
Affinity DataKi:  2.00E+3nM ΔG°:  -7.77kcal/molepH: 7.0 T: 2°CAssay Description:The production of NADPH from NADP+ and benzyl alcohol and xylitol was monitored by an increase in NADPH fluorescence (ex: 340 nm; em: 460 nm) using a...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAldo-keto reductase family 1 member B1 [W220Y,C299A](Homo sapiens (Human))
Medical College Of Wiscosin

LigandPNGBDBM16415((1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetic...)
Affinity DataKi:  7.50E+3nMAssay Description:The production of NADPH from NADP+ and benzyl alcohol and xylitol was monitored by an increase in NADPH fluorescence (ex: 340 nm; em: 460 nm) using a...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedMMDB