BDBM450449 9H-Fluoren-9-ylmethyl 4-[3-[2- [(3,4-dichlorophenyl) methylamino]-2-oxoethyl]-4- oxoquinazolin-6-yl] piperazine-1-carboxylate (intermediate A-5) and pentanoyl chloride ([CAS RN 638-29-9])::US10676446, Example 60

SMILES CCCCC(=O)N1CCN(CC1)c1ccc2ncn(CC(=O)NCc3ccc(Cl)c(Cl)c3)c(=O)c2c1

InChI Key InChIKey=YLDJBWFXWCBNOH-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 = 450449   

TargetAutotaxin(Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM450449(US10676446, Example 60 | 9H-Fluoren-9-ylmethyl 4-[...)
Affinity DataIC50: 10nMAssay 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
Go to US Patent