BDBM475827 (1H-benzotriazol-5-yl)- {(3aS,3bS,6aR,6bR)-5-[5-bromo-6-(2,2,2- trifluoro-ethoxy)-pyridine-3-carbonyl]- octahydro-cyclobuta[1,2-c;3,4-c']dipyrrol- 2-yl}-methanone::US10849881, Example 1.100

SMILES FC(F)(F)COc1ncc(cc1Br)C(=O)N1C[C@H]2[C@@H]3CN(C[C@@H]3[C@H]2C1)C(=O)c1ccc2NNNc2c1

InChI Key InChIKey=SEQMSEFBMARSNC-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 = 475827   

TargetAutotaxin(Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM475827((1H-benzotriazol-5-yl)- {(3aS,3bS,6aR,6bR)-5-[5-br...)
Affinity DataIC50: 10nMAssay 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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