BDBM50396022 CHEMBL2169920

SMILES c1cc(c(cc1CCNCCC(=O)N(CCNCCc2ccc(c3c2OCC(=O)N3)O)C4CCCCC4)Cl)Cl

InChI Key InChIKey=LIBVHXXKHSODII-UHFFFAOYSA-N

Data  1 KI  13 IC50  3 Kd

PDB links: 1 PDB ID matches this monomer.

  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 17 hits for monomerid = 50396022   

TargetN-lysine methyltransferase SMYD2(Human)
Icahn School of Medicine At Mount Sinai

Curated by ChEMBL
LigandPNGBDBM50396022(CHEMBL2169920)
Affinity DataIC50: 120nMAssay Description:Inhibition of recombinant human full-length SMYD2 (1 to 433) using biotin-aminohexanoyl GSRAHSSHLKSKKGQSTSRH as substrate after 75 mins by AlphaScree...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/23/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetN-lysine methyltransferase SMYD2(Human)
Icahn School of Medicine At Mount Sinai

Curated by ChEMBL
LigandPNGBDBM50396022(CHEMBL2169920)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of human SMYD2 by western blot assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/18/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetN-lysine methyltransferase SMYD2(Human)
Icahn School of Medicine At Mount Sinai

Curated by ChEMBL
LigandPNGBDBM50396022(CHEMBL2169920)
Affinity DataIC50: 120nMAssay Description:Inhibition of SMYD2 (unknown origin) using 3H-SAM as substrate incubated for 1 hr by filter binding methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetN-lysine methyltransferase SMYD2(Human)
Icahn School of Medicine At Mount Sinai

Curated by ChEMBL
LigandPNGBDBM50396022(CHEMBL2169920)
Affinity DataKd:  5.00E+5nMAssay Description:Competitive inhibition of SMYD2 (unknown origin) assessed as dissociation constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetN-lysine methyltransferase SMYD2(Human)
Icahn School of Medicine At Mount Sinai

Curated by ChEMBL
LigandPNGBDBM50396022(CHEMBL2169920)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of FLAG-tagged SMYD2 (unknown origin) expressed in human U2OS cells mediated intracellular p53 methylation incubated for 24 hrs using p53 ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetHistone-lysine N-methyltransferase SMYD3(Human)
Zhejiang University

Curated by ChEMBL
LigandPNGBDBM50396022(CHEMBL2169920)
Affinity DataIC50: 83nMAssay Description:Inhibition of SMYD3 (unknown origin) using p53 (361 to 380 residues) and [3H]-SAM as substrate incubated for 90 mins by SPA assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetN-lysine methyltransferase SMYD2(Human)
Icahn School of Medicine At Mount Sinai

Curated by ChEMBL
LigandPNGBDBM50396022(CHEMBL2169920)
Affinity DataIC50: 120nMAssay Description:Inhibition of full length human SMYD2 (1 to 433 residues) expressed in Escherichia coli strain BL21 (DE3) using p53 (361 to 380 residues) and [3H]-SA...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetN-lysine methyltransferase SMYD2(Human)
Icahn School of Medicine At Mount Sinai

Curated by ChEMBL
LigandPNGBDBM50396022(CHEMBL2169920)
Affinity DataKd:  500nMAssay Description:Binding affinity to full length human SMYD2 (1 to 433 residues) expressed in Escherichia coli strain BL21 (DE3) by ITC analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetN-lysine methyltransferase SMYD2(Human)
Icahn School of Medicine At Mount Sinai

Curated by ChEMBL
LigandPNGBDBM50396022(CHEMBL2169920)
Affinity DataIC50: 120nMAssay Description:Inhibition of full length human SMYD2 amino acid 1 to 433 expressed in Escherichia coli BL21 (DE3) using Biotinaminohexanoyl- GSRAHSSHLKSKKGQSTSRH as...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetN-lysine methyltransferase SMYD2(Human)
Icahn School of Medicine At Mount Sinai

Curated by ChEMBL
LigandPNGBDBM50396022(CHEMBL2169920)
Affinity DataIC50: 2.90E+3nMAssay 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
PubMedPDB3D3D Structure (crystal)
TargetN-lysine methyltransferase SMYD2(Human)
Icahn School of Medicine At Mount Sinai

Curated by ChEMBL
LigandPNGBDBM50396022(CHEMBL2169920)
Affinity DataIC50: 120nMAssay Description:Inhibition of SMYD2 (unknown origin) expressed in Escherichia coli BL21 (DE3) using Biotinaminohexanoyl-GSRAHSSHLKSKKGQSTSRH as substrate after 75 mi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/23/2017
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetN-lysine methyltransferase SMYD2(Human)
Icahn School of Medicine At Mount Sinai

Curated by ChEMBL
LigandPNGBDBM50396022(CHEMBL2169920)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of SMYD2 (unknown origin) expressed in human U2OS cells assessed as reduction in p53 methylation by Western blot analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/23/2017
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetN-lysine methyltransferase SMYD2(Human)
Icahn School of Medicine At Mount Sinai

Curated by ChEMBL
LigandPNGBDBM50396022(CHEMBL2169920)
Affinity DataIC50: 120nMAssay Description:Inhibition of SMYD2 (unknown origin) expressed in Escherichia coli BL21 (DE3) using Biotinaminohexanoyl-GSRAHSSHLKSKKGQSTSRH as substrate after 75 mi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/23/2017
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetN-lysine methyltransferase SMYD2(Human)
Icahn School of Medicine At Mount Sinai

Curated by ChEMBL
LigandPNGBDBM50396022(CHEMBL2169920)
Affinity DataIC50: 120nMAssay Description:Inhibition of recombinant full-length human SMYD2 (1 to 433) expressed in Escherichia coli BL21Star(DE3) cells using p53 peptide as substrate after 9...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)
Icahn School of Medicine At Mount Sinai

Curated by ChEMBL
LigandPNGBDBM50396022(CHEMBL2169920)
Affinity DataIC50: 230nMAssay 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)
Icahn School of Medicine At Mount Sinai

Curated by ChEMBL
LigandPNGBDBM50396022(CHEMBL2169920)
Affinity DataKd:  500nMAssay Description:Binding affinity to recombinant human full-length SMYD2 (1 to 433) by ITC analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/23/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetN-lysine methyltransferase SMYD2(Human)
Icahn School of Medicine At Mount Sinai

Curated by ChEMBL
LigandPNGBDBM50396022(CHEMBL2169920)
Affinity DataKi:  300nMAssay Description:Competitive binding affinity to full length human SMYD2 amino acid 1 to 433 expressed in Escherichia coli BL21 (DE3) after 90 mins by radioactive fil...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)