BDBM446160 (3aS,6aR)-5-(1H-benzotriazole-5-carbonyl)-hexahydro-pyrrolo[3,4-c]pyrrole-2-carboxylic acid 3-chloro-5-trifluoromethoxy-benzyl ester::US10669268, Example 4.27

SMILES c1cc2c(cc1C(=O)N3C[C@@H]4CN(C[C@@H]4C3)C(=O)OCc5cc(cc(c5)Cl)OC(F)(F)F)nn[nH]2

InChI Key InChIKey=SVROMCXBWOMGJP-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 446160   

TargetAutotaxin(Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM446160(US10669268, Example 4.27 | (3aS,6aR)-5-(1H-benzotr...)
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
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Date in BDB:
2/21/2021
Entry Details
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