BDBM431646 5-[[(2S)-1-(3-Oxo-3-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1- yl]propoxy)propan-2-yl]amino]-4-(trifluoromethyl)-2,3-dihydropyridazin-3-one::US10550105, Example 561::US10550105, Example 661::US10870641, Example 661::US11014913, Example 661

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

InChI Key

Data  22 IC50  1 Kd

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 23 hits for monomerid = 431646   

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

US Patent
LigandPNGBDBM431646(5-[[(2S)-1-(3-Oxo-3-[4-[5-(trifluoromethyl)pyrimid...)
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 US Patent
TargetProtein mono-ADP-ribosyltransferase TIPARP(Human)
Ribon Therapeutics

US Patent
LigandPNGBDBM431646(5-[[(2S)-1-(3-Oxo-3-[4-[5-(trifluoromethyl)pyrimid...)
Affinity DataKd:  0.220nMAssay Description:Binding affinity to PARP7 (unknown origin) assessed as dissociation constantMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetProtein mono-ADP-ribosyltransferase TIPARP(Human)
Ribon Therapeutics

US Patent
LigandPNGBDBM431646(5-[[(2S)-1-(3-Oxo-3-[4-[5-(trifluoromethyl)pyrimid...)
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 US Patent
TargetProtein mono-ADP-ribosyltransferase TIPARP(Human)
Ribon Therapeutics

US Patent
LigandPNGBDBM431646(5-[[(2S)-1-(3-Oxo-3-[4-[5-(trifluoromethyl)pyrimid...)
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 US Patent
TargetProtein mono-ADP-ribosyltransferase TIPARP(Human)
Ribon Therapeutics

US Patent
LigandPNGBDBM431646(5-[[(2S)-1-(3-Oxo-3-[4-[5-(trifluoromethyl)pyrimid...)
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 US Patent
TargetProtein mono-ADP-ribosyltransferase TIPARP(Human)
Ribon Therapeutics

US Patent
LigandPNGBDBM431646(5-[[(2S)-1-(3-Oxo-3-[4-[5-(trifluoromethyl)pyrimid...)
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 US Patent
TargetProtein mono-ADP-ribosyltransferase TIPARP(Human)
Ribon Therapeutics

US Patent
LigandPNGBDBM431646(5-[[(2S)-1-(3-Oxo-3-[4-[5-(trifluoromethyl)pyrimid...)
Affinity DataIC50:  3nMAssay Description:Displacement of fluorescent labeled RBN011198 from human NanoLuc-tagged full-length PARP7 expressed in HEK293T cells using NanoGlo substrate incubate...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetProtein mono-ADP-ribosyltransferase PARP10(Homo sapiens (Human))
University Of Perugia

Curated by ChEMBL
LigandPNGBDBM431646(5-[[(2S)-1-(3-Oxo-3-[4-[5-(trifluoromethyl)pyrimid...)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of PARP10 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetProtein mono-ADP-ribosyltransferase PARP14(Homo sapiens (Human))
University Of Perugia

Curated by ChEMBL
LigandPNGBDBM431646(5-[[(2S)-1-(3-Oxo-3-[4-[5-(trifluoromethyl)pyrimid...)
Affinity DataIC50:  2.30E+3nMAssay Description:Inhibition of PARP14 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetProtein mono-ADP-ribosyltransferase PARP11(Homo sapiens)
University Of Perugia

Curated by ChEMBL
LigandPNGBDBM431646(5-[[(2S)-1-(3-Oxo-3-[4-[5-(trifluoromethyl)pyrimid...)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of PARP11 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetPoly [ADP-ribose] polymerase 1(Homo sapiens (Human))
University Of Perugia

Curated by ChEMBL
LigandPNGBDBM431646(5-[[(2S)-1-(3-Oxo-3-[4-[5-(trifluoromethyl)pyrimid...)
Affinity DataIC50:  37nMAssay Description:Inhibition of PARP1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetPoly [ADP-ribose] polymerase 2(Homo sapiens (Human))
University Of Perugia

Curated by ChEMBL
LigandPNGBDBM431646(5-[[(2S)-1-(3-Oxo-3-[4-[5-(trifluoromethyl)pyrimid...)
Affinity DataIC50:  17nMAssay Description:Inhibition of PARP2 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetProtein mono-ADP-ribosyltransferase PARP3(Homo sapiens (Human))
University Of Perugia

Curated by ChEMBL
LigandPNGBDBM431646(5-[[(2S)-1-(3-Oxo-3-[4-[5-(trifluoromethyl)pyrimid...)
Affinity DataIC50:  1.80E+3nMAssay Description:Inhibition of PARP3 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetPoly [ADP-ribose] polymerase tankyrase-1(Homo sapiens (Human))
University Of Perugia

Curated by ChEMBL
LigandPNGBDBM431646(5-[[(2S)-1-(3-Oxo-3-[4-[5-(trifluoromethyl)pyrimid...)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of TNKS1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetProtein mono-ADP-ribosyltransferase PARP4(Homo sapiens (Human))
University Of Perugia

Curated by ChEMBL
LigandPNGBDBM431646(5-[[(2S)-1-(3-Oxo-3-[4-[5-(trifluoromethyl)pyrimid...)
Affinity DataIC50:  9.20E+3nMAssay Description:Inhibition of PARP4 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetPoly [ADP-ribose] polymerase tankyrase-2(Homo sapiens (Human))
University Of Perugia

Curated by ChEMBL
LigandPNGBDBM431646(5-[[(2S)-1-(3-Oxo-3-[4-[5-(trifluoromethyl)pyrimid...)
Affinity DataIC50:  4.50E+3nMAssay Description:Inhibition of TNKS2 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetProtein mono-ADP-ribosyltransferase PARP6(Homo sapiens (Human))
University Of Perugia

Curated by ChEMBL
LigandPNGBDBM431646(5-[[(2S)-1-(3-Oxo-3-[4-[5-(trifluoromethyl)pyrimid...)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of PARP6 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetProtein mono-ADP-ribosyltransferase TIPARP(Human)
Ribon Therapeutics

US Patent
LigandPNGBDBM431646(5-[[(2S)-1-(3-Oxo-3-[4-[5-(trifluoromethyl)pyrimid...)
Affinity DataIC50: <3nMAssay Description:Inhibition of PARP7 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetProtein mono-ADP-ribosyltransferase PARP8(Homo sapiens)
University Of Perugia

Curated by ChEMBL
LigandPNGBDBM431646(5-[[(2S)-1-(3-Oxo-3-[4-[5-(trifluoromethyl)pyrimid...)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of PARP8 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetProtein mono-ADP-ribosyltransferase PARP12(Homo sapiens (Human))
University Of Perugia

Curated by ChEMBL
LigandPNGBDBM431646(5-[[(2S)-1-(3-Oxo-3-[4-[5-(trifluoromethyl)pyrimid...)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of PARP12 (unknown origin)More data for this Ligand-Target Pair
TargetProtein mono-ADP-ribosyltransferase PARP9(Homo sapiens)
University Of Perugia

Curated by ChEMBL
LigandPNGBDBM431646(5-[[(2S)-1-(3-Oxo-3-[4-[5-(trifluoromethyl)pyrimid...)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of PARP9 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetProtein mono-ADP-ribosyltransferase PARP16(Homo sapiens (Human))
University Of Perugia

Curated by ChEMBL
LigandPNGBDBM431646(5-[[(2S)-1-(3-Oxo-3-[4-[5-(trifluoromethyl)pyrimid...)
Affinity DataIC50:  2.50E+4nMAssay Description:Inhibition of PARP16 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetProtein mono-ADP-ribosyltransferase TIPARP(Human)
Ribon Therapeutics

US Patent
LigandPNGBDBM431646(5-[[(2S)-1-(3-Oxo-3-[4-[5-(trifluoromethyl)pyrimid...)
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 US Patent