BDBM50639061 CHEMBL5561399

SMILES C[C@@H](COCCC(=O)N1CCN(c2ncc(OCc3ccc(/C=C/C(=O)NO)cc3)cn2)CC1)Nc1cn[nH]c(=O)c1C(F)(F)F

InChI Key

  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 11 hits for monomerid = 50639061   

TargetProtein mono-ADP-ribosyltransferase TIPARP(Human)
Hangzhou Normal University

Curated by ChEMBL
LigandPNGBDBM50639061(CHEMBL5561399)
Affinity DataIC50: 3.10nMAssay Description:Inhibition of N-terminal FLAG tagged human PARP7 (400 to 657 residues) preincubated for 10 mins followed by PARP substrate addition and measured afte...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetPoly [ADP-ribose] polymerase 2(Human)
Hangzhou Normal University

Curated by ChEMBL
LigandPNGBDBM50639061(CHEMBL5561399)
Affinity DataIC50: 6.10nMAssay Description:Inhibition of N-terminal GST tagged human PARP2 (2 to 583 residues) infected in baculovirus infected Sf9 cells preincubated for 10 mins followed by P...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetHistone deacetylase 6(Human)
Hangzhou Normal University

Curated by ChEMBL
LigandPNGBDBM50639061(CHEMBL5561399)
Affinity DataIC50: 6.40nMAssay Description:Inhibition of full length N-terminal GST-tagged human recombinant HDAC6 (1 to 1215 residues) preincubated for 10 mins followed by PARP substrate addi...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetHistone deacetylase 2(Human)
Hangzhou Normal University

Curated by ChEMBL
LigandPNGBDBM50639061(CHEMBL5561399)
Affinity DataIC50: 30nMAssay Description:Inhibition of full length C-terminal 6his-tagged human recombinant HDAC2 (1 to 488 residues) preincubated for 10 mins followed by substrate addition ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetHistone deacetylase 1(Human)
Hangzhou Normal University

Curated by ChEMBL
LigandPNGBDBM50639061(CHEMBL5561399)
Affinity DataIC50: 35nMAssay Description:Inhibition of full length C-terminal 6his-tagged human recombinant HDAC1 (1 to 482 residues) preincubated for 10 mins followed by substrate addition ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetPlatelet-derived growth factor receptor alpha/beta(Mouse)
Hangzhou Normal University

Curated by ChEMBL
LigandPNGBDBM50639061(CHEMBL5561399)
Affinity DataIC50: 35nMAssay Description:Inhibition of full length C-terminal his-tagged human HDAC3 (1 to 428 residues)/N-terminal GST tagged human NCOR2 (395 to 489 residues) expressed in ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetPoly [ADP-ribose] polymerase 1(Human)
Hangzhou Normal University

Curated by ChEMBL
LigandPNGBDBM50639061(CHEMBL5561399)
Affinity DataIC50: 82nMAssay Description:Inhibition of N-terminal GST tagged human recombinant PARP1 (2 to 1014 residues) preincubated for 10 mins followed by PARP substrate addition and mea...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetHistone deacetylase 8(Human)
Hangzhou Normal University

Curated by ChEMBL
LigandPNGBDBM50639061(CHEMBL5561399)
Affinity DataIC50: 319nMAssay Description:Inhibition of full length C-terminal his-tagged human recombinant HDAC8 (1 to 377 residues) preincubated for 10 mins followed by substrate addition a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetPoly [ADP-ribose] polymerase tankyrase-2(Human)
Hangzhou Normal University

Curated by ChEMBL
LigandPNGBDBM50639061(CHEMBL5561399)
Affinity DataIC50: 352nMAssay Description:Inhibition of N-terminal GST tagged human PARP5B (667 to 1166 residues) infected in baculovirus infected Sf9 cells preincubated for 10 mins followed ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetHistone deacetylase 11(Human)
Hangzhou Normal University

Curated by ChEMBL
LigandPNGBDBM50639061(CHEMBL5561399)
Affinity DataIC50: 1.25E+3nMAssay Description:Inhibition of full length human recombinant HDAC11 (1 to 347 residues) preincubated for 10 mins followed by substrate addition and measured after 30 ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetPoly [ADP-ribose] polymerase tankyrase-1(Human)
Hangzhou Normal University

Curated by ChEMBL
LigandPNGBDBM50639061(CHEMBL5561399)
Affinity DataIC50: 1.91E+3nMAssay Description:Inhibition of N-terminal GST tagged human PARP5A (1001 to 1327 residues) infected in baculovirus infected Sf9 cells preincubated for 10 mins followed...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed