BDBM50180955 CHEMBL3818617

SMILES CCN([C@H]1CN(N=C1c1ccc(Cl)c(Cl)c1)C(\Nc1cccc(OC(F)F)c1)=N/C#N)C(=O)CO

InChI Key InChIKey=OTTJIRVZJJGFTK-UHFFFAOYSA-N

Data  2 KI  5 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 7 hits for monomerid = 50180955   

TargetN-lysine methyltransferase SMYD2(Human)
Bayer Pharma

Curated by ChEMBL
LigandPNGBDBM50180955(CHEMBL3818617)
Affinity DataIC50: 60nMAssay Description:Inhibition of N-terminal 2xc-myc-tagged human SMYD2 transfected in human MDA-MB-231 cells assessed as reduction in AHNAK methylation after 72 hrs by ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/23/2017
Entry Details Article
PubMed
TargetProteinase-activated receptor 1(Human)
Bayer Pharma

Curated by ChEMBL
LigandPNGBDBM50180955(CHEMBL3818617)
Affinity DataIC50: 1.70E+3nMAssay Description:Antagonist activity at PAR1 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/23/2017
Entry Details Article
PubMed
TargetN-lysine methyltransferase SMYD2(Human)
Bayer Pharma

Curated by ChEMBL
LigandPNGBDBM50180955(CHEMBL3818617)
Affinity DataIC50: 27nMAssay Description:Inhibition of full length 6xHis-tagged SMYD2 (unknown origin) expressed in Escherichia coli using Btn-Ahx GSRAHSSHLKSKKGQSTSRH-amide as substrate aft...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/23/2017
Entry Details Article
PubMed
TargetN-lysine methyltransferase SMYD2(Human)
Bayer Pharma

Curated by ChEMBL
LigandPNGBDBM50180955(CHEMBL3818617)
Affinity DataIC50: 27nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetN-lysine methyltransferase SMYD2(Human)
Bayer Pharma

Curated by ChEMBL
LigandPNGBDBM50180955(CHEMBL3818617)
Affinity DataIC50: 58nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetN-lysine methyltransferase SMYD2(Human)
Bayer Pharma

Curated by ChEMBL
LigandPNGBDBM50180955(CHEMBL3818617)
Affinity DataKi:  8nMAssay Description:Competitive inhibition of full length 6xHis-tagged SMYD2 (unknown origin) expressed in Escherichia coli using varying levels of Btn-Ahx-GSRAHSSHLKSKK...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/23/2017
Entry Details Article
PubMed
TargetN-lysine methyltransferase SMYD2(Human)
Bayer Pharma

Curated by ChEMBL
LigandPNGBDBM50180955(CHEMBL3818617)
Affinity DataKi:  28nMAssay Description:Uncompetitive inhibition of full length 6xHis-tagged SMYD2 (unknown origin) expressed in Escherichia coli using fixed levels of Btn-Ahx-GSRAHSSHLKSKK...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/23/2017
Entry Details Article
PubMed