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Compile Data Set for Download or QSAR
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
(change energy unit to
kcal/mol
)
Found
23
hits in this display
Target
Protein mono-ADP-ribosyltransferase TIPARP
(Human)
University Of Perugia
Curated by
ChEMBL
Ligand
BDBM431646
(5-[[(2S)-1-(3-Oxo-3-[4-[5-(trifluoromethyl)pyrimid...)
Copy SMILES
Affinity Data
IC50: 3nM
Assay 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
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Target
Protein mono-ADP-ribosyltransferase TIPARP
(Human)
University Of Perugia
Curated by
ChEMBL
Ligand
BDBM431646
(5-[[(2S)-1-(3-Oxo-3-[4-[5-(trifluoromethyl)pyrimid...)
Copy SMILES
Affinity Data
IC50: <3nM
Assay Description:
Inhibition of PARP7 (unknown origin)
More data for this Ligand-Target Pair
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Target
Poly [ADP-ribose] polymerase 2
(Homo sapiens (Human))
University Of Perugia
Curated by
ChEMBL
Ligand
BDBM431646
(5-[[(2S)-1-(3-Oxo-3-[4-[5-(trifluoromethyl)pyrimid...)
Copy SMILES
Affinity Data
IC50: 17nM
Assay Description:
Inhibition of PARP2 (unknown origin)
More data for this Ligand-Target Pair
Target Info
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KEGG
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Target
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human))
University Of Perugia
Curated by
ChEMBL
Ligand
BDBM431646
(5-[[(2S)-1-(3-Oxo-3-[4-[5-(trifluoromethyl)pyrimid...)
Copy SMILES
Affinity Data
IC50: 37nM
Assay Description:
Inhibition of PARP1 (unknown origin)
More data for this Ligand-Target Pair
Target Info
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MMDB
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UniProtKB/SwissProt
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antibodypedia
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Target
Protein mono-ADP-ribosyltransferase TIPARP
(Human)
University Of Perugia
Curated by
ChEMBL
Ligand
BDBM431646
(5-[[(2S)-1-(3-Oxo-3-[4-[5-(trifluoromethyl)pyrimid...)
Copy SMILES
Affinity Data
IC50: <100nM
Assay 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
Target Info
PDB
UniProtKB/SwissProt
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US Patent
Copy BDB DOI
Target
Protein mono-ADP-ribosyltransferase TIPARP
(Human)
University Of Perugia
Curated by
ChEMBL
Ligand
BDBM431646
(5-[[(2S)-1-(3-Oxo-3-[4-[5-(trifluoromethyl)pyrimid...)
Copy SMILES
Affinity Data
IC50: <100nM
Assay 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
Target Info
PDB
UniProtKB/SwissProt
GoogleScholar
Ligand Info
Purchase
PC cid
PC sid
PDB
In Depth
Details
US Patent
Copy BDB DOI
Target
Protein mono-ADP-ribosyltransferase TIPARP
(Human)
University Of Perugia
Curated by
ChEMBL
Ligand
BDBM431646
(5-[[(2S)-1-(3-Oxo-3-[4-[5-(trifluoromethyl)pyrimid...)
Copy SMILES
Affinity Data
IC50: <100nM
Assay 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
Target Info
PDB
UniProtKB/SwissProt
GoogleScholar
Ligand Info
Purchase
PC cid
PC sid
PDB
In Depth
Details
US Patent
Copy BDB DOI
Target
Protein mono-ADP-ribosyltransferase TIPARP
(Human)
University Of Perugia
Curated by
ChEMBL
Ligand
BDBM431646
(5-[[(2S)-1-(3-Oxo-3-[4-[5-(trifluoromethyl)pyrimid...)
Copy SMILES
Affinity Data
IC50: <100nM
Assay 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
Target Info
PDB
UniProtKB/SwissProt
GoogleScholar
Ligand Info
Purchase
PC cid
PC sid
PDB
In Depth
Details
US Patent
Copy BDB DOI
Target
Protein mono-ADP-ribosyltransferase TIPARP
(Human)
University Of Perugia
Curated by
ChEMBL
Ligand
BDBM431646
(5-[[(2S)-1-(3-Oxo-3-[4-[5-(trifluoromethyl)pyrimid...)
Copy SMILES
Affinity Data
IC50: <100nM
Assay 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
Target Info
PDB
UniProtKB/SwissProt
GoogleScholar
Ligand Info
Purchase
PC cid
PC sid
PDB
In Depth
Details
US Patent
Copy BDB DOI
Target
Protein mono-ADP-ribosyltransferase TIPARP
(Human)
University Of Perugia
Curated by
ChEMBL
Ligand
BDBM431646
(5-[[(2S)-1-(3-Oxo-3-[4-[5-(trifluoromethyl)pyrimid...)
Copy SMILES
Affinity Data
IC50: <100nM
Assay 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
Target Info
PDB
UniProtKB/SwissProt
GoogleScholar
Ligand Info
Purchase
PC cid
PC sid
PDB
In Depth
Details
US Patent
Copy BDB DOI
Target
Protein mono-ADP-ribosyltransferase PARP3
(Homo sapiens (Human))
University Of Perugia
Curated by
ChEMBL
Ligand
BDBM431646
(5-[[(2S)-1-(3-Oxo-3-[4-[5-(trifluoromethyl)pyrimid...)
Copy SMILES
Affinity Data
IC50: 1.80E+3nM
Assay Description:
Inhibition of PARP3 (unknown origin)
More data for this Ligand-Target Pair
Target Info
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PubMed
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Target
Protein mono-ADP-ribosyltransferase PARP14
(Homo sapiens (Human))
University Of Perugia
Curated by
ChEMBL
Ligand
BDBM431646
(5-[[(2S)-1-(3-Oxo-3-[4-[5-(trifluoromethyl)pyrimid...)
Copy SMILES
Affinity Data
IC50: 2.30E+3nM
Assay Description:
Inhibition of PARP14 (unknown origin)
More data for this Ligand-Target Pair
Target Info
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Target
Poly [ADP-ribose] polymerase tankyrase-2
(Homo sapiens (Human))
University Of Perugia
Curated by
ChEMBL
Ligand
BDBM431646
(5-[[(2S)-1-(3-Oxo-3-[4-[5-(trifluoromethyl)pyrimid...)
Copy SMILES
Affinity Data
IC50: 4.50E+3nM
Assay Description:
Inhibition of TNKS2 (unknown origin)
More data for this Ligand-Target Pair
Target Info
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Target
Protein mono-ADP-ribosyltransferase PARP4
(Homo sapiens (Human))
University Of Perugia
Curated by
ChEMBL
Ligand
BDBM431646
(5-[[(2S)-1-(3-Oxo-3-[4-[5-(trifluoromethyl)pyrimid...)
Copy SMILES
Affinity Data
IC50: 9.20E+3nM
Assay Description:
Inhibition of PARP4 (unknown origin)
More data for this Ligand-Target Pair
Target Info
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Target
Protein mono-ADP-ribosyltransferase PARP16
(Homo sapiens (Human))
University Of Perugia
Curated by
ChEMBL
Ligand
BDBM431646
(5-[[(2S)-1-(3-Oxo-3-[4-[5-(trifluoromethyl)pyrimid...)
Copy SMILES
Affinity Data
IC50: 2.50E+4nM
Assay Description:
Inhibition of PARP16 (unknown origin)
More data for this Ligand-Target Pair
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Target
Protein mono-ADP-ribosyltransferase PARP9
(Homo sapiens)
University Of Perugia
Curated by
ChEMBL
Ligand
BDBM431646
(5-[[(2S)-1-(3-Oxo-3-[4-[5-(trifluoromethyl)pyrimid...)
Copy SMILES
Affinity Data
IC50: >5.00E+4nM
Assay Description:
Inhibition of PARP9 (unknown origin)
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
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KEGG
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Target
Protein mono-ADP-ribosyltransferase PARP12
(Homo sapiens (Human))
University Of Perugia
Curated by
ChEMBL
Ligand
BDBM431646
(5-[[(2S)-1-(3-Oxo-3-[4-[5-(trifluoromethyl)pyrimid...)
Copy SMILES
Affinity Data
IC50: >5.00E+4nM
Assay Description:
Inhibition of PARP12 (unknown origin)
More data for this Ligand-Target Pair
Target Info
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3D Structure (crystal)
Copy BDB DOI
Target
Protein mono-ADP-ribosyltransferase PARP8
(Homo sapiens)
University Of Perugia
Curated by
ChEMBL
Ligand
BDBM431646
(5-[[(2S)-1-(3-Oxo-3-[4-[5-(trifluoromethyl)pyrimid...)
Copy SMILES
Affinity Data
IC50: >5.00E+4nM
Assay Description:
Inhibition of PARP8 (unknown origin)
More data for this Ligand-Target Pair
Target Info
NCI pathway
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KEGG
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Target
Protein mono-ADP-ribosyltransferase PARP11
(Homo sapiens)
University Of Perugia
Curated by
ChEMBL
Ligand
BDBM431646
(5-[[(2S)-1-(3-Oxo-3-[4-[5-(trifluoromethyl)pyrimid...)
Copy SMILES
Affinity Data
IC50: >5.00E+4nM
Assay Description:
Inhibition of PARP11 (unknown origin)
More data for this Ligand-Target Pair
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Target
Poly [ADP-ribose] polymerase tankyrase-1
(Homo sapiens (Human))
University Of Perugia
Curated by
ChEMBL
Ligand
BDBM431646
(5-[[(2S)-1-(3-Oxo-3-[4-[5-(trifluoromethyl)pyrimid...)
Copy SMILES
Affinity Data
IC50: >5.00E+4nM
Assay Description:
Inhibition of TNKS1 (unknown origin)
More data for this Ligand-Target Pair
Target Info
PDB
Reactome pathway
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Target
Protein mono-ADP-ribosyltransferase PARP10
(Homo sapiens (Human))
University Of Perugia
Curated by
ChEMBL
Ligand
BDBM431646
(5-[[(2S)-1-(3-Oxo-3-[4-[5-(trifluoromethyl)pyrimid...)
Copy SMILES
Affinity Data
IC50: >5.00E+4nM
Assay Description:
Inhibition of PARP10 (unknown origin)
More data for this Ligand-Target Pair
Target Info
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Target
Protein mono-ADP-ribosyltransferase PARP6
(Homo sapiens (Human))
University Of Perugia
Curated by
ChEMBL
Ligand
BDBM431646
(5-[[(2S)-1-(3-Oxo-3-[4-[5-(trifluoromethyl)pyrimid...)
Copy SMILES
Affinity Data
IC50: >5.00E+4nM
Assay Description:
Inhibition of PARP6 (unknown origin)
More data for this Ligand-Target Pair
Target Info
Reactome pathway
KEGG
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Target
Protein mono-ADP-ribosyltransferase TIPARP
(Human)
University Of Perugia
Curated by
ChEMBL
Ligand
BDBM431646
(5-[[(2S)-1-(3-Oxo-3-[4-[5-(trifluoromethyl)pyrimid...)
Copy SMILES
Affinity Data
Kd: 0.220nM
Assay Description:
Binding affinity to PARP7 (unknown origin) assessed as dissociation constant
More data for this Ligand-Target Pair
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