BDBM475787 US10849881, Example 1.060::[(3aR,3bS,6aR,6bS)-5-(1H-benzotriazole- 5-carbonyl)-octahydro-cyclobuta[1,2-c;3,4- c']dipyrrol-2-yl]-[1-(2,2,2-trifluoro- ethoxy)-isoquinolin-3-yl]-methanone

SMILES c1ccc2c(c1)cc(nc2OCC(F)(F)F)C(=O)N3C[C@H]4[C@@H]5CN(C[C@@H]5[C@H]4C3)C(=O)c6ccc7c(c6)nn[nH]7

InChI Key InChIKey=SVMYVCAWPRQJHP-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 = 475787   

TargetAutotaxin(Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM475787([(3aR,3bS,6aR,6bS)-5-(1H-benzotriazole- 5-carbonyl...)
Affinity DataIC50: 4.70nMAssay 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:
7/13/2021
Entry Details
Go to US Patent