BDBM489336 Example 8-1::US10961242, Compound 56::US11548883, Compound 56

SMILES O=C(Cn1cc(cn1)-c1cnc(NC2Cc3ccccc3C2)nc1)N1CCc2[nH]nnc2C1

InChI Key InChIKey=ZRPAUEVGEGEPFQ-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:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 489336   

TargetEctonucleotide pyrophosphatase/phosphodiesterase family member 2(Homo sapiens (Human))
Legochem Biosciences

US Patent
LigandPNGBDBM489336(Example 8-1 | US10961242, Compound 56 | US11548883...)
Affinity DataIC50:  2.20nMAssay Description:Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetEctonucleotide pyrophosphatase/phosphodiesterase family member 2(Homo sapiens (Human))
Legochem Biosciences

US Patent
LigandPNGBDBM489336(Example 8-1 | US10961242, Compound 56 | US11548883...)
Affinity DataIC50:  2.20nMAssay Description:Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent