BDBM450482 9H-Fluoren-9-ylmethyl 4-[3-[2-[(3,4- dichlorophenyl)methyl- methylamino]-2- oxoethyl]-4- oxoquinazolin-6-yl] piperazine-1- carboxylate (intermediate A-6) and 1-acetylazetidine-3- carboxylic acid ([CAS RN 97628-91-6])::US10676446, Example 81

SMILES CN(Cc1ccc(Cl)c(Cl)c1)C(=O)Cn1cnc2ccc(cc2c1=O)N1CCN(CC1)C(=O)C1CN(C1)C(C)=O

InChI Key InChIKey=KEMNXRYBVAROIY-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 = 450482   

TargetAutotaxin(Human)
Hoffmann-La Roche

US Patent
LigandChemical structure of BindingDB Monomer ID 450482BDBM450482(US10676446, Example 81 | 9H-Fluoren-9-ylmethyl 4-[...)
Affinity DataIC50: 73nMAssay 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