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 14 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 2(Homo sapiens (Human))
Astrazeneca

US Patent
LigandPNGBDBM553940(US11325906, Example 4)
Affinity DataIC50: >1.50E+3nMAssay Description:PARP2: Recombinant full length PARP2 protein was diluted to 6 nM with 50 mM Tris pH 8, 0.001% Triton X100, 10 mM MgCl2, 150 mM NaCl and incubated for...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetProtein mono-ADP-ribosyltransferase PARP3(Homo sapiens (Human))
Astrazeneca

US Patent
LigandPNGBDBM553940(US11325906, Example 4)
Affinity DataIC50:  4.70E+3nMAssay Description:PARP3: Recombinant full length PARP3 protein was diluted to 100 nM with 50 mM Tris pH 8, 0.001% Triton X100, 10 mM MgCl2, 150 mM NaCl and incubated f...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetPoly [ADP-ribose] polymerase tankyrase-1(Homo sapiens (Human))
Astrazeneca

US Patent
LigandPNGBDBM553940(US11325906, Example 4)
Affinity DataIC50: >1.00E+5nMAssay Description:PARP5a: Recombinant PARP5a binding domain was diluted to 160 nM with 50 mM Tris pH 8, 0.001% Triton X100, 10 mM MgCl2, 150 mM NaCl and incubated for ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetProtein mono-ADP-ribosyltransferase PARP6(Homo sapiens (Human))
Astrazeneca

US Patent
LigandPNGBDBM553940(US11325906, Example 4)
Affinity DataIC50:  1.90E+4nMAssay Description:PARP6: Recombinant full length GST tagged PARP6 protein was diluted to 160 nM with 50 mM Tris pH 8, 0.001% Triton X100, 10 mM MgCl2, 150 mM NaCl and ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Astrazeneca

US Patent
LigandPNGBDBM553940(US11325906, Example 4)
Affinity DataIC50: >4.00E+4nMAssay Description:Electrophysiological recordings (all performed at RT) from stably transfected CHO hKv11.1 cells were obtained using the Nanion Syncropatch 768PE. Tes...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetProtein mono-ADP-ribosyltransferase PARP10(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM553940(US11325906, Example 4)
Affinity DataKd: >1.00E+4nMAssay Description:Binding affinity to PARP10 (unknown origin) assessed as apparent dissociation constantMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetPoly [ADP-ribose] polymerase 2(Homo sapiens (Human))
Astrazeneca

US Patent
LigandPNGBDBM553940(US11325906, Example 4)
Affinity DataIC50:  4nMAssay Description:Inhibition of PARP-2 (unknown origin)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:  0.650nMAssay 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 2(Homo sapiens (Human))
Astrazeneca

US Patent
LigandPNGBDBM553940(US11325906, Example 4)
Affinity DataIC50:  240nMAssay Description:Inhibition of PARP-2 (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 2(Homo sapiens (Human))
Astrazeneca

US Patent
LigandPNGBDBM553940(US11325906, Example 4)
Affinity DataIC50:  1.40E+3nMAssay Description:Inhibition of human recombinant N-terminal Avi-6His-TEV tagged PARP2 full length expressed in pFastBac expression system incubated for 4 hrs by fluor...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Astrazeneca

US Patent
LigandPNGBDBM553940(US11325906, Example 4)
Affinity DataIC50: >4.00E+4nMAssay Description:Inhibition of human ERGMore 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