null

SMILES C[C@@H](COCCC(=O)N1CCN(CC1)c1ncc(cn1)C(F)(F)F)Nc1cn[nH]c(=O)c1C(F)(F)F

InChI Key

PDB links: 1 PDB ID matches this monomer.

  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 23 hits for monomerid = 431646   

TargetProtein mono-ADP-ribosyltransferase TIPARP(Human)
Ribon Therapeutics Inc.

US Patent
LigandPNGBDBM431646(5-[[(2S)-1-(3-Oxo-3-[4-[5-(trifluoromethyl)pyrimid...)copy SMILES
Affinity DataIC50: 100nMAssay Description:Displacement of Probe A, a biotinylated probe binding to the TIPARP active site, was measured using a time-resolved fluorescence energy transfer (TR-...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2JM2D1ZUS Patent
TargetProtein mono-ADP-ribosyltransferase TIPARP(Human)
Ribon Therapeutics Inc.

US Patent
LigandPNGBDBM431646(5-[[(2S)-1-(3-Oxo-3-[4-[5-(trifluoromethyl)pyrimid...)copy SMILES
Affinity DataKd:  0.220nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q26D5Z03PubMed
TargetProtein mono-ADP-ribosyltransferase TIPARP(Human)
Ribon Therapeutics Inc.

US Patent
LigandPNGBDBM431646(5-[[(2S)-1-(3-Oxo-3-[4-[5-(trifluoromethyl)pyrimid...)copy SMILES
Affinity DataIC50: 100nMAssay Description:Displacement of Probe A, a biotinylated probe binding to the TIPARP active site, was measured using a time-resolved fluorescence energy transfer (TR-...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2VQ35S4US Patent
TargetProtein mono-ADP-ribosyltransferase TIPARP(Human)
Ribon Therapeutics Inc.

US Patent
LigandPNGBDBM431646(5-[[(2S)-1-(3-Oxo-3-[4-[5-(trifluoromethyl)pyrimid...)copy SMILES
Affinity DataIC50: 100nMAssay Description:Displacement of Probe A, a biotinylated probe binding to the TIPARP active site, was measured using a time-resolved fluorescence energy transfer (TR-...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2VQ35S4US Patent
TargetProtein mono-ADP-ribosyltransferase TIPARP(Human)
Ribon Therapeutics Inc.

US Patent
LigandPNGBDBM431646(5-[[(2S)-1-(3-Oxo-3-[4-[5-(trifluoromethyl)pyrimid...)copy SMILES
Affinity DataIC50: 100nMAssay Description:Displacement of Probe A, a biotinylated probe binding to the TIPARP active site, was measured using a time-resolved fluorescence energy transfer (TR-...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2V69NPPUS Patent
TargetProtein mono-ADP-ribosyltransferase TIPARP(Human)
Ribon Therapeutics Inc.

US Patent
LigandPNGBDBM431646(5-[[(2S)-1-(3-Oxo-3-[4-[5-(trifluoromethyl)pyrimid...)copy SMILES
Affinity DataIC50: 100nMAssay Description:Displacement of Probe A, a biotinylated probe binding to the TIPARP active site, was measured using a time-resolved fluorescence energy transfer (TR-...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2V69NPPUS Patent
TargetProtein mono-ADP-ribosyltransferase TIPARP(Human)
Ribon Therapeutics Inc.

US Patent
LigandPNGBDBM431646(5-[[(2S)-1-(3-Oxo-3-[4-[5-(trifluoromethyl)pyrimid...)copy SMILES
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20V8HSSPubMed
TargetProtein mono-ADP-ribosyltransferase PARP10(Homo sapiens (Human))TBA
LigandPNGBDBM431646(5-[[(2S)-1-(3-Oxo-3-[4-[5-(trifluoromethyl)pyrimid...)copy SMILES
Affinity DataIC50: 5.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q26D5Z03PubMed
TargetProtein mono-ADP-ribosyltransferase PARP14(Homo sapiens (Human))TBA
LigandPNGBDBM431646(5-[[(2S)-1-(3-Oxo-3-[4-[5-(trifluoromethyl)pyrimid...)copy SMILES
Affinity DataIC50: 2.30E+3nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q26D5Z03PubMed
LigandPNGBDBM431646(5-[[(2S)-1-(3-Oxo-3-[4-[5-(trifluoromethyl)pyrimid...)copy SMILES
Affinity DataIC50: 5.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q26D5Z03PubMed
TargetPoly [ADP-ribose] polymerase 1(Homo sapiens (Human))TBA
LigandPNGBDBM431646(5-[[(2S)-1-(3-Oxo-3-[4-[5-(trifluoromethyl)pyrimid...)copy SMILES
Affinity DataIC50: 37nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q26D5Z03PubMed
TargetPoly [ADP-ribose] polymerase 2(Homo sapiens (Human))TBA
LigandPNGBDBM431646(5-[[(2S)-1-(3-Oxo-3-[4-[5-(trifluoromethyl)pyrimid...)copy SMILES
Affinity DataIC50: 17nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q26D5Z03PubMed
TargetProtein mono-ADP-ribosyltransferase PARP3(Homo sapiens (Human))TBA
LigandPNGBDBM431646(5-[[(2S)-1-(3-Oxo-3-[4-[5-(trifluoromethyl)pyrimid...)copy SMILES
Affinity DataIC50: 1.80E+3nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q26D5Z03PubMed
TargetPoly [ADP-ribose] polymerase tankyrase-1(Homo sapiens (Human))TBA
LigandPNGBDBM431646(5-[[(2S)-1-(3-Oxo-3-[4-[5-(trifluoromethyl)pyrimid...)copy SMILES
Affinity DataIC50: 5.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q26D5Z03PubMed
TargetProtein mono-ADP-ribosyltransferase PARP4(Homo sapiens (Human))TBA
LigandPNGBDBM431646(5-[[(2S)-1-(3-Oxo-3-[4-[5-(trifluoromethyl)pyrimid...)copy SMILES
Affinity DataIC50: 9.20E+3nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q26D5Z03PubMed
TargetPoly [ADP-ribose] polymerase tankyrase-2(Homo sapiens (Human))TBA
LigandPNGBDBM431646(5-[[(2S)-1-(3-Oxo-3-[4-[5-(trifluoromethyl)pyrimid...)copy SMILES
Affinity DataIC50: 4.50E+3nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q26D5Z03PubMed
TargetProtein mono-ADP-ribosyltransferase PARP6(Homo sapiens (Human))TBA
LigandPNGBDBM431646(5-[[(2S)-1-(3-Oxo-3-[4-[5-(trifluoromethyl)pyrimid...)copy SMILES
Affinity DataIC50: 5.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q26D5Z03PubMed
TargetProtein mono-ADP-ribosyltransferase TIPARP(Human)
Ribon Therapeutics Inc.

US Patent
LigandPNGBDBM431646(5-[[(2S)-1-(3-Oxo-3-[4-[5-(trifluoromethyl)pyrimid...)copy SMILES
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q26D5Z03PubMed
LigandPNGBDBM431646(5-[[(2S)-1-(3-Oxo-3-[4-[5-(trifluoromethyl)pyrimid...)copy SMILES
Affinity DataIC50: 5.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q26D5Z03PubMed
TargetProtein mono-ADP-ribosyltransferase PARP12(Homo sapiens (Human))TBA
LigandPNGBDBM431646(5-[[(2S)-1-(3-Oxo-3-[4-[5-(trifluoromethyl)pyrimid...)copy SMILES
Affinity DataIC50: 5.00E+4nMMore data for this Ligand-Target Pair
LigandPNGBDBM431646(5-[[(2S)-1-(3-Oxo-3-[4-[5-(trifluoromethyl)pyrimid...)copy SMILES
Affinity DataIC50: 5.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q26D5Z03PubMed
TargetProtein mono-ADP-ribosyltransferase PARP16(Homo sapiens (Human))TBA
LigandPNGBDBM431646(5-[[(2S)-1-(3-Oxo-3-[4-[5-(trifluoromethyl)pyrimid...)copy SMILES
Affinity DataIC50: 2.50E+4nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q26D5Z03PubMed
TargetProtein mono-ADP-ribosyltransferase TIPARP(Human)
Ribon Therapeutics Inc.

US Patent
LigandPNGBDBM431646(5-[[(2S)-1-(3-Oxo-3-[4-[5-(trifluoromethyl)pyrimid...)copy SMILES
Affinity DataIC50: 100nMAssay Description:Displacement of Probe A, a biotinylated probe binding to the TIPARP active site, was measured using a time-resolved fluorescence energy transfer (TR-...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2JM2D1ZUS Patent