BDBM450417 2-[6-[4-(9H- Fluoren-9- ylmethoxycarbonyl) piperazin-1-yl]- 4-oxoquinazolin- 3-yl]acetic acid (intermediate A-1) and 4- (aminomethyl)-3- methoxybenzonitrile ([CAS RN 182159-14-4])::US10676446, Example 32

SMILES COc1cc(ccc1CNC(=O)Cn1cnc2ccc(cc2c1=O)N1CCN(CC1)C(C)=O)C#N

InChI Key InChIKey=KVTUYPLFZWMYNX-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 = 450417   

TargetAutotaxin(Human)
Hoffmann-La Roche

US Patent
LigandChemical structure of BindingDB Monomer ID 450417BDBM450417(US10676446, Example 32 | 2-[6-[4-(9H- Fluoren-9- y...)
Affinity DataIC50: 89nMAssay 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
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Date in BDB:
3/10/2021
Entry Details
US Patent