BDBM446423 4-[3-[(3aR,6aR)-5-(1H-benzotriazole-5-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-3-oxopropyl]-2-methyl-5-propan-2-ylbenzonitrile::US10669268, Example 19.21

SMILES Cc1cc(CCC(=O)N2C[C@@H]3CN(C(=O)c4ccc5[nH]nnc5c4)C[C@H]3C2)c(C(C)C)cc1C#N

InChI Key InChIKey=LSYRFSVBETUOKC-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 = 446423   

TargetAutotaxin(Human)
Hoffmann-La Roche

US Patent
LigandChemical structure of BindingDB Monomer ID 446423BDBM446423(4-[3-[(3aR,6aR)-5-(1H-benzotriazole-5-carbonyl)-1,...)
Affinity DataIC50: 3nMAssay 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