Target
N-lysine methyltransferase SMYD2
Ligand
BDBM283139
Substrate
n/a
Meas. Tech.
Scintillation Proximity Assay (SPA) for Detection of SMYD2 Enzymatic Inhibition
pH
9±n/a
IC50
13.5±n/a nM
Comments
extracted
Citation
 Mowat, JSStellfeld, TStresemann, CHillig, RKöhr, SStöckigt, DWeiske, JBrumby, TBarak, NChrist, CTer Laak, ABadock, VCrampton, RHStefanuti, I Aryl-cyanoguanidine compounds US Patent  US10023539 Publication Date 7/17/2018 
Target
Name:
N-lysine methyltransferase SMYD2
Synonyms:
HSKM-B | Histone methyltransferase SMYD2 | KMT3C | Lysine N-methyltransferase 3C | N-lysine methyltransferase SMYD2 | SET and MYND domain-containing protein 2 | SET and MYND domain-containing protein 2 (SMYD2) | SMYD2 | SMYD2_HUMAN
Type:
Enzyme
Mol. Mass.:
49689.57
Organism:
Homo sapiens (Human)
Description:
Q9NRG4
Residue:
433
Sequence:
MRAEGLGGLERFCSPGKGRGLRALQPFQVGDLLFSCPAYAYVLTVNERGNHCEYCFTRKEGLSKCGRCKQAFYCNVECQKEDWPMHKLECSPMVVFGENWNPSETVRLTARILAKQKIHPERTPSEKLLAVKEFESHLDKLDNEKKDLIQSDIAALHHFYSKHLGFPDNDSLVVLFAQVNCNGFTIEDEELSHLGSAIFPDVALMNHSCCPNVIVTYKGTLAEVRAVQEIKPGEEVFTSYIDLLYPTEDRNDRLRDSYFFTCECQECTTKDKDKAKVEIRKLSDPPKAEAIRDMVRYARNVIEEFRRAKHYKSPSELLEICELSQEKMSSVFEDSNVYMLHMMYQAMGVCLYMQDWEGALQYGQKIIKPYSKHYPLYSLNVASMWLKLGRLYMGLEHKAAGEKALKKAIAIMEVAHGKDHPYISEIKQEIESH
  
Inhibitor
Name:
BDBM283139
Synonyms:
N-[1-{N′-cyano-N-[3-(difluoromethoxy)phenyl]carbamimidoyl}-3-(3,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-4-yl]-N-ethyl-D-alaninamide Isomer 1 | US10023539, Example 7.1 | US10023539, Example 7.2
Type:
Small organic molecule
Emp. Form.:
C23H23Cl2F2N7O2
Mol. Mass.:
538.377
SMILES:
CCN(C1CN(N=C1c1ccc(Cl)c(Cl)c1)C(\Nc1cccc(OC(F)F)c1)=N/C#N)C(=O)[C@@H](C)N |r,c:6|
Structure:
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