BDBM446428 1-[(3aR,6aR)-5-[(5R)-4,5,6,7-tetrahydro-1H-benzotriazole-5-carbonyl]-1,3,3a,4,6,6a-hexahydro-pyrrolo[3,4-c]pyrrol-2-yl]-3-[2-fluoro-4-(trifluoromethoxy)phenyl]-propan-1-one::US10669268, Example 19.26

SMILES O=C(CCc1ccc(OC(F)(F)F)cc1F)N1C[C@@H]2CN(C(=O)[C@@H]3CCc4[nH]nnc4C3)C[C@H]2C1

InChI Key InChIKey=MHLFJAVGUHIUHH-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 = 446428   

TargetAutotaxin(Human)
Hoffmann-La Roche

US Patent
LigandChemical structure of BindingDB Monomer ID 446428BDBM446428(1-[(3aR,6aR)-5-[(5R)-4,5,6,7-tetrahydro-1H-benzotr...)
Affinity DataIC50: 5nMAssay 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:
2/21/2021
Entry Details
US Patent