BDBM446369 (3aS,6aS)-5-((R)-4,5,6,7-tetrahydro-1H-benzotriazole-5-carbonyl)-hexahydro-pyrrolo[3,4-c]pyrrole-2-carboxylic acid 4-trifluoromethoxy-benzyl ester::US10669268, Example 4.58

SMILES c1cc(ccc1COC(=O)N2C[C@@H]3CN(C[C@H]3C2)C(=O)[C@@H]4CCc5c(nn[nH]5)C4)OC(F)(F)F

InChI Key InChIKey=LSUVFNHPOQJAGY-UHFFFAOYSA-N

Data  1 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 446369   

TargetAutotaxin(Human)
Hoffmann-La Roche

US Patent
LigandChemical structure of BindingDB Monomer ID 446369BDBM446369((3aS,6aS)-5-((R)-4,5,6,7-tetrahydro-1H-benzotriazo...)
Affinity DataIC50: 5.20nMAssay 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)