BDBM450542 2-[6-[1-(9H- Fluoren-9- ylmethoxycarbonyl)- 4-piperidyl]-4- oxoquinazolin-3- yl]acetic acid (intermediate A-8) and 2-fluoro-4- (methylaminomethyl) benzonitrile ([CAS RN 1565551-88-3])::US10676446, Example 127

SMILES CN(Cc1ccc(C#N)c(F)c1)C(=O)Cn1cnc2ccc(cc2c1=O)C1CCN(CC1)C(C)=O

InChI Key InChIKey=KATWLLNRCULLRB-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 450542   

TargetEctonucleotide pyrophosphatase/phosphodiesterase family member 2(Homo sapiens (Human))
Hoffmann-La Roche

US Patent
LigandPNGBDBM450542(2-[6-[1-(9H- Fluoren-9- ylmethoxycarbonyl)- 4-pipe...)
Affinity DataIC50:  9nMAssay Description:ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent