BDBM553940 US11325906, Example 4

SMILES CCc1cc2ncc(CN3CCN(CC3)c3ccc(nc3)C(=O)NC)cc2[nH]c1=O

InChI Key InChIKey=WQAVGRAETZEADU-UHFFFAOYSA-N

Data  13 IC50  1 Kd

  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 4 hits for monomerid = 553940   

TargetPoly [ADP-ribose] polymerase 1(Homo sapiens (Human))
Astrazeneca

US Patent
LigandPNGBDBM553940(US11325906, Example 4)
Affinity DataIC50:  4nMAssay Description:PARP1: Recombinant full length 6HIS tagged PARP1 protein was diluted to 6 nM with 50 mM Tris pH 8, 0.001% Triton X100, 10 mM MgCl2, 150 mM NaCl and i...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetPoly [ADP-ribose] polymerase 1(Homo sapiens (Human))
Astrazeneca

US Patent
LigandPNGBDBM553940(US11325906, Example 4)
Affinity DataIC50:  0.650nMAssay Description:Inhibition of PARP-1 (unknown origin) binding to DNA assessed as DNA trapping activityMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetPoly [ADP-ribose] polymerase 1(Homo sapiens (Human))
Astrazeneca

US Patent
LigandPNGBDBM553940(US11325906, Example 4)
Affinity DataIC50:  3nMAssay Description:Inhibition of human recombinant N-terminal 6His-6Lys-TEV tagged PARP1 full length expressed in pFastBac expression system incubated for 4 hrs by fluo...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetPoly [ADP-ribose] polymerase 1(Homo sapiens (Human))
Astrazeneca

US Patent
LigandPNGBDBM553940(US11325906, Example 4)
Affinity DataIC50:  0.310nMAssay Description:Inhibition of PARP-1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMed