BDBM446291 1-((3aR,8aS)-2-(1H-Benzo[d][1,2,3]triazole-5-carbonyl)octahydropyrrolo[3,4-d]azepin-6(7H)-yl)-3-(3-fluoro-4-(trifluoromethoxy)phenyl)propan-1-one::US10669268, Example 17::US10669268, Example 17.01::US10669268, Example 17.02::US10669268, Example 17.03::US10669268, Example 17.04::US10669268, Example 17.05::US10669268, Example 17.06::US10669268, Example 17.07::US10669268, Example 17.08::US10669268, Example 17.09::US10669268, Example 17.10::US10669268, Example 17.11::US10669268, Example 17.12::US10669268, Example 17.13::US10669268, Example 17.14::US10669268, Example 17.15::US10669268, Example 17.16::US10669268, Example 17.17::US10669268, Example 17.18::US10669268, Example 17.19::US10669268, Example 17.20

SMILES O=C(CCc1ccc(OC(F)(F)F)c(F)c1)N1CC[C@@H]2CN(C(=O)c3ccc4[nH]nnc4c3)C[C@@H]2CC1

InChI Key InChIKey=VFWVBZCFPJMYTJ-UHFFFAOYSA-N

Data  21 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 = 446291   

TargetAutotaxin(Human)
Hoffmann-La Roche

US Patent
LigandChemical structure of BindingDB Monomer ID 446291BDBM446291(US10669268, Example 17 | 1-((3aR,8aS)-2-(1H-Benzo[...)
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:
2/21/2021
Entry Details
US Patent