BDBM446437 US10669268, Example 19.35::[(3aS,6aS)-5-[(5R)-4,5,6,7-tetrahydro-1H-benzotriazole-5-carbonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-(1-ethoxyisoquinolin-3-yl)methanone

SMILES CCOc1nc(cc2ccccc12)C(=O)N1C[C@@H]2CN(C[C@H]2C1)C(=O)[C@@H]1CCc2[nH]nnc2C1

InChI Key InChIKey=TXIYXYZMRJCOJH-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 = 446437   

TargetAutotaxin(Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM446437([(3aS,6aS)-5-[(5R)-4,5,6,7-tetrahydro-1H-benzotria...)
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
In Depth
Date in BDB:
2/21/2021
Entry Details
Go to US Patent