BDBM446444 ((3aS,6aS)-5-(1H-benzo[d][1,2,3]tri-azole-5-carbonyl)hexahydro-pyrrolo[3,4-c]pyrrol-2(1H)-yl)(5-cyclopropyl-6-(2,2,2-trifluoroethoxy)-pyridin-3-yl)methanone::US10669268, Example 19.42

SMILES c1cc2c(cc1C(=O)N3C[C@H]4CN(C[C@@H]4C3)C(=O)c5cc(c(nc5)OCC(F)(F)F)C6CC6)nn[nH]2

InChI Key InChIKey=KZYHBUWLAUZDFH-UHFFFAOYSA-N

Data  1 IC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 446444   

TargetAutotaxin(Human)
Hoffmann-La Roche

US Patent
LigandChemical structure of BindingDB Monomer ID 446444BDBM446444(((3aS,6aS)-5-(1H-benzo[d][1,2,3]tri-azole-5-carbon...)
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
In Depth
Date in BDB:
2/21/2021
Entry Details
US Patent
PDB3D3D Structure (crystal)