BDBM450504 9H-Fluoren-9- ylmethyl 4-[3- [2-[(3,4- dichlorophenyl) methylamino]-2- oxoethyl]-4- oxoquinazolin-6- yl]piperazine-1- carboxylale (intermediate A-5) and oxolane-3-::US10676446, Example 97

SMILES Clc1ccc(CNC(=O)Cn2cnc3ccc(cc3c2=O)N2CCN(CC3CCOC3)CC2)cc1Cl

InChI Key InChIKey=ZFFSYULCWWRFBM-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 = 450504   

TargetAutotaxin(Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM450504(US10676446, Example 97 | 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
In Depth
Date in BDB:
3/10/2021
Entry Details
Go to US Patent