BDBM579842 US11485727, Example 2.13

SMILES CC(=O)N1C[C@H]2CN(C[C@H]2C1)c1ccc(CNc2ccc(OCc3ccc(nc3)C(F)(F)F)nn2)cc1

InChI Key InChIKey=ASIUONFMVVKCMU-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 579842   

TargetAutotaxin(Human)
Boehringer Ingelheim International

US Patent
LigandPNGBDBM579842(US11485727, Example 2.13)
Affinity DataIC50: 4nMAssay Description:5 nM recombinant ATX (Cayman Chemicals) was supplemented to 50 mM Tris buffer (pH 8.0) containing 3 mM KCl, 1 mM CaCl2, 1 mM MgCl2 0.14 mM NaCl, and ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/6/2023
Entry Details
Go to US Patent