BDBM50095635 CHEMBL3590518::US9598381, 2

SMILES Oc1ccc(CCNCCN(C2CCCCC2)C(=O)CCNCc2ccc(Cl)c(Cl)c2)c2OCC(=O)Nc12

InChI Key InChIKey=RRYBKSAFYZHKER-UHFFFAOYSA-N

Data  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50095635   

TargetN-lysine methyltransferase SMYD2(Human)
Abbvie

Curated by ChEMBL
LigandPNGBDBM50095635(CHEMBL3590518 | US9598381, 2)
Affinity DataIC50: 3.10E+3nMAssay 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
PubMed
TargetN-lysine methyltransferase SMYD2(Human)
Abbvie

Curated by ChEMBL
LigandPNGBDBM50095635(CHEMBL3590518 | US9598381, 2)
Affinity DataIC50: 138nMAssay 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

TargetN-lysine methyltransferase SMYD2(Human)
Abbvie

Curated by ChEMBL
LigandPNGBDBM50095635(CHEMBL3590518 | US9598381, 2)
Affinity DataIC50: 2.03E+3nMAssay 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