BDBM446116 (3aR,8aS)-3,5-dichlorobenzyl 2-(1H-benzo[d][1,2,3]triazole-5-carbonyl)octahydropyrrolo[3,4-d]azepine-6(7H)-carboxylate::US10669268, Example 1.11

SMILES O=C(OCc1cc(Cl)cc(Cl)c1)N1CC[C@@H]2CN(C(=O)c3ccc4[nH]nnc4c3)C[C@@H]2CC1

InChI Key InChIKey=ZNRUXBLWISFAAT-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 = 446116   

TargetAutotaxin(Human)
Hoffmann-La Roche

US Patent
LigandChemical structure of BindingDB Monomer ID 446116BDBM446116(US10669268, Example 1.11 | (3aR,8aS)-3,5-dichlorob...)
Affinity DataIC50: 4nMAssay 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)