BDBM475791 (1-cyclopropylmethoxy-isoquinolin-3-yl)- [(3aR,3bS,6aR,6bS)-5-((R)-4,5,6,7- tetrahydro-1H-benzotriazole-5-carbonyl)- octahydro-cyclobuta[1,2-c;3,4-c']dipyrrol- 2-yl]-methanone::US10849881, Example 1.064

SMILES O=C([C@@H]1CCc2[nH]nnc2C1)N1C[C@H]2[C@@H](C1)[C@@H]1CN(C[C@H]21)C(=O)c1cc2ccccc2c(OCC2CC2)n1

InChI Key InChIKey=PTZTXDHZKDUMEP-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 = 475791   

TargetAutotaxin(Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM475791((1-cyclopropylmethoxy-isoquinolin-3-yl)- [(3aR,3bS...)
Affinity DataIC50: 1nMAssay 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:
7/13/2021
Entry Details
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