BDBM515136 US11098048, Example 1.13

SMILES O=C(CCc1cnn[nH]1)N1C[C@H]2CN(C(=O)c3cc(OCC4CCOCC4)nc(C4CC4)c3)C[C@@H]2C1

InChI Key InChIKey=XSPZRFRUMUKODI-UHFFFAOYSA-N

Data  1 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 515136   

TargetAutotaxin(Human)
Hoffmann-La Roche

US Patent
LigandChemical structure of BindingDB Monomer ID 515136BDBM515136(US11098048, Example 1.13)
Affinity DataIC50: 3nMAssay Description:Assay working solutions were made as follows:Assay buffer (50 mM Tris-HCl, 140 mM NaCl, 5 mM KCl, 1 mM CaCl2), 1 mM MgCl2, 0.01% Triton-X-100, pH 8.0...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2022
Entry Details
US Patent
PDB3D3D Structure (crystal)