BDBM628467 Example 19 in WO2023025307::US11795173, Comp. Ex. 1

SMILES CNC(=O)c1ccc(N2CCN(Cc3ccc4c5OCCc5c(=O)[nH]c4c3)CC2)c(C)n1

InChI Key InChIKey=NHPQRZAGGNPICW-UHFFFAOYSA-N

Data  4 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 4 hits for monomerid = 628467   

TargetPoly [ADP-ribose] polymerase 1(Human)
Xinthera

US Patent
LigandPNGBDBM628467(US11795173, Comp. Ex. 1 | Example 19 in WO20230253...)
Affinity DataIC50: 3.70nMAssay 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
In Depth
Date in BDB:
12/20/2023
Entry Details
Go to US Patent

TargetPoly [ADP-ribose] polymerase 2(Human)
Xinthera

US Patent
LigandPNGBDBM628467(US11795173, Comp. Ex. 1 | Example 19 in WO20230253...)
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
In Depth
Date in BDB:
12/20/2023
Entry Details
Go to US Patent

TargetPoly [ADP-ribose] polymerase 1(Human)
Xinthera

US Patent
LigandPNGBDBM628467(US11795173, Comp. Ex. 1 | Example 19 in WO20230253...)
Affinity DataIC50: 3.70nMAssay 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
In Depth
Date in BDB:
12/5/2023
Entry Details
Go to US Patent

TargetPoly [ADP-ribose] polymerase 2(Human)
Xinthera

US Patent
LigandPNGBDBM628467(US11795173, Comp. Ex. 1 | Example 19 in WO20230253...)
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
In Depth
Date in BDB:
12/5/2023
Entry Details
Go to US Patent