BDBM446169 (3aS,6aS)-5-(1H-benzotriazole-5-carbonyl)-hexahydro-pyrrolo[3,4-c]pyrrole-2-carboxylic acid 4-trifluoromethoxy-benzyl ester::US10669268, Example 4.36

SMILES c1cc(ccc1COC(=O)N2C[C@@H]3CN(C[C@H]3C2)C(=O)c4ccc5c(c4)nn[nH]5)OC(F)(F)F

InChI Key InChIKey=ACVHZRVJGDQWNB-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 = 446169   

TargetAutotaxin(Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM446169(US10669268, Example 4.36 | (3aS,6aS)-5-(1H-benzotr...)
Affinity DataIC50: 9nMAssay 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
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Date in BDB:
2/21/2021
Entry Details
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PDB3D3D Structure (crystal)