BDBM450547 N-[(3-Chloro-4- cyanophenyl)methyl]-N- methyl-2-(4-oxo-6- piperidin-4-ylquinazolin- 3-yl)acetamide (intermediate A-9) and 2- methoxyacetic acid ([CAS RN 625-45-6])::US10676446, Example 132

SMILES CN(Cc1ccc(c(c1)Cl)C#N)C(=O)CN2C=Nc3ccc(cc3C2=O)C4CCN(CC4)C(=O)COC

InChI Key InChIKey=CSGIAQJITLUEOL-UHFFFAOYSA-N

Data  1 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 450547   

TargetAutotaxin(Human)
Hoffmann-La Roche

US Patent
LigandChemical structure of BindingDB Monomer ID 450547BDBM450547(US10676446, Example 132 | N-[(3-Chloro-4- cyanophe...)
Affinity DataIC50: 12nMAssay 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
In Depth
Date in BDB:
3/10/2021
Entry Details
US Patent
PDB3D3D Structure (crystal)