BDBM446358 (3aS,6aS)-5-((R)-4,5,6,7-tetrahydro-1H-benzotriazole-5-carbonyl)-hexahydro-pyrrolo[3,4-c]pyrrole-2-carboxylic acid 4-cyano-2-isopropyl-5-methyl-benzyl ester::US10669268, Example 4.47

SMILES Cc1cc(COC(=O)N2C[C@@H]3CN(C(=O)[C@@H]4CCc5[nH]nnc5C4)C[C@H]3C2)c(C(C)C)cc1C#N

InChI Key InChIKey=XIBIVQKZBPWCCO-UHFFFAOYSA-N

Data  1 IC50

  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 = 446358   

TargetAutotaxin(Human)
Hoffmann-La Roche

US Patent
LigandChemical structure of BindingDB Monomer ID 446358BDBM446358((3aS,6aS)-5-((R)-4,5,6,7-tetrahydro-1H-benzotriazo...)
Affinity DataIC50: 4nMAssay 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