BDBM446434 4-[2-[(3aS,6aS)-5-(1H-benzotriazole-5-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-2-oxoethoxy]-3-tert-butylbenzonitrile::US10669268, Example 19.32

SMILES CC(C)(C)c1cc(C#N)ccc1OCC(=O)N1C[C@@H]2CN(C(=O)c3ccc4[nH]nnc4c3)C[C@H]2C1

InChI Key InChIKey=YYPMGHIKYVSVJU-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 = 446434   

TargetAutotaxin(Human)
Hoffmann-La Roche

US Patent
LigandChemical structure of BindingDB Monomer ID 446434BDBM446434(4-[2-[(3aS,6aS)-5-(1H-benzotriazole-5-carbonyl)-1,...)
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
US Patent