BDBM50509592 CHEMBL4460946

SMILES c1c(onc1C(=O)NC2CCN(CC2)S(=O)(=O)CC3CCC(CC3)NCCCC(F)(F)F)C4CC4

InChI Key InChIKey=VAYJCVQRMIULEM-UHFFFAOYSA-N

Data  1 KI  2 IC50  1 EC50

PDB links: 2 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50509592   

TargetHistone-lysine N-methyltransferase SMYD3(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50509592(CHEMBL4460946)
Affinity DataIC50: 3.20nMAssay Description:Inhibition of recombinant N-terminal FLAG/His-tagged SMYD3 (unknown origin) expressed in baculovirus infected insect cells using 3H-SAM as substrate ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetHistone-lysine N-methyltransferase SMYD3(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50509592(CHEMBL4460946)
Affinity DataEC50:  39nMAssay Description:Inhibition of recombinant SMYD3 (unknown origin) transfected in human HEK293 cells assessed as reduction in MEKK2 methylation incubated for 24 hrs by...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetHistone-lysine N-methyltransferase SMYD3(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50509592(CHEMBL4460946)
Affinity DataIC50: 67nMAssay Description:Inhibition of SMYD3 (unknown origin) assessed as reduction in histone H4 methylationMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetHistone-lysine N-methyltransferase SMYD3(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50509592(CHEMBL4460946)
Affinity DataKi:  6nMAssay Description:Uncompetitive inhibition of SMYD3 (unknown origin) assessed as inhibitory constant incubated for 60 mins by Cheng-Prusoff equation analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)