BDBM628452 LC-MS: (ES+H, m/z): [M+H]+=468.0; 1H NMR (400 MHz, DMSO-d6) δ 11.05 (s, 1H), 8.59 (s, 1H), 8.40 (d, J=5.5 Hz, 1H), 7.82 (dd, J=16.8, 8.0 Hz, 2H), 7.55 (t, J=9.4 Hz, 1H), 7.24 (t, J=7.4 Hz, 1H), 4.10 (s, 3H), 3.69 (s, 2H), 3.24-3.08 (m, 4H), 2.76 (d, J=4.7 Hz, 3H), 2.66-2.56 (m, 4H). 19F NMR (377 MHz, DMSO-d6) δ −72.54, −132.86::US11795173, Example 20
SMILES CNC(=O)c1ccc(N2CCN(Cc3ccc4c5nn(C)cc5c(=O)[nH]c4c3F)CC2)c(F)n1
InChI Key InChIKey=DMCFXPWFPIARHS-UHFFFAOYSA-N
Data 4 IC50
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 4 hits for monomerid = 628452
Affinity DataIC50: 11nMAssay Description:Compounds were dissolved in DMSO an Echo550 liquid handler was utilized to make serial dilations in the desired concentration range in Optiplate-384F...More data for this Ligand-Target Pair
Affinity DataIC50: 1.00E+5nMAssay Description:Compounds were dissolved in DMSO an Echo550 liquid handler was utilized to make serial dilations in the desired concentration range in Optiplate-384F...More data for this Ligand-Target Pair
Affinity DataIC50: 11nMAssay Description:PARP1 and PARP2 protein were expressed, purified, and diluted in assay buffer containing 50 mM Tris pH 8.0, 0.001% Triton X-100, 10 mM MgCI2, 150 mM ...More data for this Ligand-Target Pair
Affinity DataIC50: 1.00E+5nMAssay Description:PARP1 and PARP2 protein were expressed, purified, and diluted in assay buffer containing 50 mM Tris pH 8.0, 0.001% Triton X-100, 10 mM MgCI2, 150 mM ...More data for this Ligand-Target Pair