BDBM450579 2-[6-(1-tert-Butoxycarbonyl-4- piperidyl)-4-oxoquinazolin-3- yl]acetic acid (intermediate A-8, step E) and (4-chloro-3- (trifluoromethyl)phenyl)methanamine ([CAS RN 62039-92-3])::US10676446, Example 163

SMILES CC(=O)N1CCC(CC1)c1ccc2ncn(CC(=O)NCc3ccc(Cl)c(c3)C(F)(F)F)c(=O)c2c1

InChI Key InChIKey=BMMLNDHEFRXZJE-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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 1 hit for monomerid = 450579   

TargetAutotaxin(Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM450579(US10676446, Example 163 | 2-[6-(1-tert-Butoxycarbo...)
Affinity DataIC50: 1nMAssay 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