BDBM474571 (E)-1-[(3aS,3bR,6aS,6bR)-5-(1H- benzotriazole-5-carbonyl)-octahydro- cyclobuta[1,2-c;3,4-c']dipyrrol-2-yl]-3-(4- trifluoromethoxy-phenyl)-propenone::US10849881, Example 1.003

SMILES c1cc(ccc1/C=C/C(=O)N2C[C@@H]3[C@H](C2)[C@@H]4[C@H]3CN(C4)C(=O)c5ccc6c(c5)nn[nH]6)OC(F)(F)F

InChI Key InChIKey=RNTVVANWEGFYEA-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 = 474571   

TargetAutotaxin(Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM474571((E)-1-[(3aS,3bR,6aS,6bR)-5-(1H- benzotriazole-5-ca...)
Affinity DataIC50: 8.5nMAssay 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
In Depth
Date in BDB:
7/13/2021
Entry Details
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