BDBM446325 1-((3aR,8aS)-2-(1H-benzo[d][1,2,3]triazole-5-carbonyl)octahydropyrrolo[3,4-d]azepin-6(7H)-yl)-2-(5-chloro-2-(trifluoromethyl)phenoxy)ethanone::US10669268, Example 1.41

SMILES FC(F)(F)c1ccc(Cl)cc1OCC(=O)N1CC[C@@H]2CN(C[C@@H]2CC1)C(=O)c1ccc2[nH]nnc2c1

InChI Key InChIKey=XUALEVLKJBOBNK-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 = 446325   

TargetAutotaxin(Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM446325(1-((3aR,8aS)-2-(1H-benzo[d][1,2,3]triazole-5-carbo...)
Affinity DataIC50: 2nMAssay 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:
2/21/2021
Entry Details
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