BDBM475814 (1H-benzotriazol-5-yl)- [(3aS,3bR,6aS,6bR)-5-(5-cyclopropyl-6- cyclopropylmethoxy-pyridine-2-carbonyl)- octahydro-cyclobuta[1,2-c;3,4-c']dipyrrol- 2-yl]-methanone::US10849881, Example 1.087

SMILES c1cc2c(cc1C(=O)N3C[C@@H]4[C@H](C3)[C@@H]5[C@H]4CN(C5)C(=O)c6ccc(c(n6)OCC7CC7)C8CC8)nn[nH]2

InChI Key InChIKey=DBRWJWIKNXFOGS-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 = 475814   

TargetAutotaxin(Human)
Hoffmann-La Roche

US Patent
LigandChemical structure of BindingDB Monomer ID 475814BDBM475814((1H-benzotriazol-5-yl)- [(3aS,3bR,6aS,6bR)-5-(5-cy...)
Affinity DataIC50: 15.3nMAssay 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:
7/13/2021
Entry Details
US Patent
PDB3D3D Structure (crystal)