BDBM475797 US10849881, Example 1.070::[(3aR,3bS,6aR,6bS)-5-(1H-benzotriazole- 5-carbonyl)-octahydro-cyclobuta[1,2-c;3,4- c']dipyrrol-2-yl]-(4-isopropoxy-7- trifluoromethyl-quinolin-2-yl)-methanone

SMILES CC(C)Oc1cc(nc2c1ccc(c2)C(F)(F)F)C(=O)N3C[C@H]4[C@@H]5CN(C[C@@H]5[C@H]4C3)C(=O)c6ccc7c(c6)nn[nH]7

InChI Key InChIKey=GVYBHYZYCAAHJJ-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 = 475797   

TargetAutotaxin(Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM475797([(3aR,3bS,6aR,6bS)-5-(1H-benzotriazole- 5-carbonyl...)
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:
7/13/2021
Entry Details
Go to US Patent