BDBM474572 US10849881, Example 1.004::[(3aS,3bS,6aR,6bR)-5-(1H-benzotriazole- 5-carbonyl)-octahydro-cyclobuta[1,2-c;3,4- c']dipyrrol-2-yl]-(6-bromo-naphthalen-2- yl)-methanone

SMILES c1cc(cc2c1cc(cc2)Br)C(=O)N3C[C@@H]4[C@H](C3)[C@@H]5[C@H]4CN(C5)C(=O)c6ccc7c(c6)nn[nH]7

InChI Key InChIKey=VLNJAZOILNVBBF-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 = 474572   

TargetAutotaxin(Human)
Hoffmann-La Roche

US Patent
LigandChemical structure of BindingDB Monomer ID 474572BDBM474572([(3aS,3bS,6aR,6bR)-5-(1H-benzotriazole- 5-carbonyl...)
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)