BDBM446126 (E)-1-[(3aS,8aR)-2-((R)-4,5,6,7-tetrahydro-1H-benzotriazole-5-carbonyl)-octahydro-pyrrolo[3,4-d]azepin-6-yl]-3-(4-trifluoromethoxy-phenyl)-prop-2-en-1-one::US10669268, Example 1.21

SMILES c1cc(ccc1/C=C/C(=O)N2CC[C@@H]3CN(C[C@@H]3CC2)C(=O)[C@@H]4CCc5c(nn[nH]5)C4)OC(F)(F)F

InChI Key InChIKey=VTBKQXLQPRMVAZ-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 = 446126   

TargetAutotaxin(Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM446126(US10669268, Example 1.21 | (E)-1-[(3aS,8aR)-2-((R)...)
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
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Date in BDB:
2/21/2021
Entry Details
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