BDBM352364 US11098048, Example 2.21::US9802944, Example 2.21

SMILES O=C([C@@H]1CCc2[nH]nnc2C1)N1C[C@H]2CCN(CC[C@H]2C1)C(=O)c1cc(OCC2CCOCC2)nc(c1)C1CC1

InChI Key InChIKey=RQZOUUKHWSODHZ-UHFFFAOYSA-N

Data  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 352364   

TargetAutotaxin(Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM352364(US9802944, Example 2.21 | US11098048, Example 2.21)
Affinity DataIC50: 6nMAssay 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:
10/1/2019
Entry Details
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TargetAutotaxin(Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM352364(US9802944, Example 2.21 | US11098048, Example 2.21)
Affinity DataIC50: 6nMAssay 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
Go to US Patent