BDBM446440 ((3aS,6aS)-5-(1H-benzo[d][1,2,3]tri-azole-5-carbonyl)hexahydro-pyrrolo[3,4-c]pyrrol-2(1H)-yl)(4-(2,2,2-trifluoroethoxy)quinolin-2-yl)methanone::US10669268, Example 19.38

SMILES c1ccc2c(c1)c(cc(n2)C(=O)N3C[C@@H]4CN(C[C@H]4C3)C(=O)c5ccc6c(c5)nn[nH]6)OCC(F)(F)F

InChI Key InChIKey=PNENDHTYPWTEAK-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 = 446440   

TargetAutotaxin(Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM446440(((3aS,6aS)-5-(1H-benzo[d][1,2,3]tri-azole-5-carbon...)
Affinity DataIC50: 5nMAssay 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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