BDBM516893 US11104665, ACS Med. Chem. Lett. 2017, 8, 1252-1257 Example 19

SMILES O=C(NCC1[C@H]2CN(C(=O)OCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C[C@@H]12)c1ccc2n[nH]nc2c1

InChI Key InChIKey=ZDOBSAPHUUUOHX-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
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 516893   

TargetAutotaxin(Human)
Boehringer Ingelheim International

US Patent
LigandChemical structure of BindingDB Monomer ID 516893BDBM516893(US11104665, ACS Med. Chem. Lett. 2017, 8, 1252-125...)
Affinity DataIC50: 2.20nMAssay 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:
2/13/2022
Entry Details
US Patent