BDBM475813 (1H-benzotriazol-5-yl)- [(3aS,3bR,6aS,6bR)-5-(5-chloro-4- cyclopropylmethoxy-pyridine-2-carbonyl)- octahydro-cyclobuta[1,2-c;3,4-c']dipyrrol- 2-yl]-methanone::US10849881, Example 1.086

SMILES c1cc2c(cc1C(=O)N3C[C@@H]4[C@H](C3)[C@@H]5[C@H]4CN(C5)C(=O)c6cc(c(cn6)Cl)OCC7CC7)nn[nH]2

InChI Key InChIKey=ZWVQJXMQLPTWPF-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 = 475813   

TargetAutotaxin(Human)
Hoffmann-La Roche

US Patent
LigandChemical structure of BindingDB Monomer ID 475813BDBM475813((1H-benzotriazol-5-yl)- [(3aS,3bR,6aS,6bR)-5-(5-ch...)
Affinity DataIC50: 17nMAssay 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)