BDBM450457 9H-Fluoren-9-ylmethyl 4-[3- [2-[(3,4-dichlorophenyl) methylamino]-2-oxoethyl]-4- oxoquinazolin-6-yl] piperazine-1-carboxylate (intermediate A-5) and oxane-4-carbonyl chloride ([CAS RN 40191-32-0])::US10676446, Example 66

SMILES Clc1ccc(CNC(=O)Cn2cnc3ccc(cc3c2=O)N2CCN(CC2)C(=O)C2CCOCC2)cc1Cl

InChI Key InChIKey=JLZDXSAURQAPDL-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 = 450457   

TargetAutotaxin(Human)
Hoffmann-La Roche

US Patent
LigandChemical structure of BindingDB Monomer ID 450457BDBM450457(US10676446, Example 66 | 9H-Fluoren-9-ylmethyl 4-[...)
Affinity DataIC50: 190nMAssay 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