BDBM694612 CHEMBL5407196::US20240294509, Compound 22

SMILES FC(F)(F)c1cnc(nc1)N1CCN(CC1)C(=O)CC[C@@H]1CCCCN1c1cc(c(=O)[nH]n1)C(F)(F)F

InChI Key InChIKey=LTUOFKFLZDKSRD-UHFFFAOYSA-N

Data  3 IC50  1 EC50

  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 = 694612   

TargetProtein mono-ADP-ribosyltransferase TIPARP(Human)
Euregen Biopharma Co.

US Patent
LigandPNGBDBM694612(CHEMBL5407196 | US20240294509, Compound 22)
Affinity DataIC50: 4.60nMAssay Description:(1) Pre-coating: Add 100 μL of a PBS buffer (10 mM NaH2PO4, 10 mM Na2HPO4, 150 mM NaCl, pH 7.4) containing 20 g/mL of histone to each well of a ...More data for this Ligand-Target Pair
Ligand InfoSimilars
In DepthDetails
US Patent

TargetPoly [ADP-ribose] polymerase 1(Human)
Euregen Biopharma Co.

US Patent
LigandPNGBDBM694612(CHEMBL5407196 | US20240294509, Compound 22)
Affinity DataIC50: 31.6nMAssay Description:(1) Pre-coating: Add 100 μL of a PBS buffer (10 mM NaH2PO4, 10 mM Na2HPO4, 150 mM NaCl, pH 7.4) containing 20 g/mL of histone to each well of a ...More data for this Ligand-Target Pair
Ligand InfoSimilars
In DepthDetails
US Patent

TargetProtein mono-ADP-ribosyltransferase TIPARP(Human)
Euregen Biopharma Co.

US Patent
LigandPNGBDBM694612(CHEMBL5407196 | US20240294509, Compound 22)
Affinity DataIC50: 0.671nMAssay Description:Displacement of biotinylated RBN011147 probe from PARP7 (unknown origin) preincubated for 1 hr followed by probe addition and measured after 1.5 hrs ...More data for this Ligand-Target Pair
Ligand InfoSimilars
In DepthDetails
PubMed
TargetProtein mono-ADP-ribosyltransferase TIPARP(Human)
Euregen Biopharma Co.

US Patent
LigandPNGBDBM694612(CHEMBL5407196 | US20240294509, Compound 22)
Affinity DataEC50:  172nMAssay Description:Inhibition of PARP7 in human NCI-H1373 cells assessed as increase in STAT1 phosphorylation at Tyr701 residue incubated for 48 hrs by LANCE Ultra TR-F...More data for this Ligand-Target Pair
Ligand InfoSimilars
In DepthDetails
PubMed