BDBM50095537 CHEMBL3590526::US9598381, 1a (S enantiomer)

SMILES c1cc(c2c(c1)NC(=O)CO2)[C@H](CNCCN(C3CCCCC3)C(=O)CCNCCc4ccc(c(c4)Cl)Cl)O

InChI Key InChIKey=WVRBXBROEPXZHF-UHFFFAOYSA-N

Data  2 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50095537   

TargetN-lysine methyltransferase SMYD2(Human)
Abbvie

Curated by ChEMBL
LigandPNGBDBM50095537(CHEMBL3590526 | US9598381, 1a (S enantiomer))
Affinity DataIC50: 2.80nMAssay Description:Inhibition of SMYD2 (unknown origin) using biotinylated GSRAHSSHLKSKKGQSTSRH as substrate assessed as incorporation of tritium labeled methyl group f...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/17/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetN-lysine methyltransferase SMYD2(Human)
Abbvie

Curated by ChEMBL
LigandPNGBDBM50095537(CHEMBL3590526 | US9598381, 1a (S enantiomer))
Affinity DataIC50: 23nMAssay Description:Binding affinity of compounds having formula (I) to SMYD2 is indicia of their inhibition of the activity of this protein lysine methyltransferase. To...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/29/2019
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)