BDBM450455 9H-Fluoren-9-ylmethyl 4-[3-[2- [(3,4-dichlorophenyl)methyl- amino]-2-oxoethyl]-4- oxoquinazolin-6-yl]piperazine- 1-carboxylate (intermediate A-5) and cyclopentanecarbonyl chloride ([CAS RN 4524-93-0])::US10676446, Example 64

SMILES c1cc(c(cc1CNC(=O)CN2C=Nc3ccc(cc3C2=O)N4CCN(CC4)C(=O)C5CCCC5)Cl)Cl

InChI Key InChIKey=GQWGTQUITMTEIN-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 = 450455   

TargetAutotaxin(Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM450455(US10676446, Example 64 | 9H-Fluoren-9-ylmethyl 4-[...)
Affinity DataIC50: 4nMAssay 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