Reaction Details Report a problem with these data
Target
N-lysine methyltransferase SMYD2
Ligand
BDBM50075102
Substrate
n/a
Meas. Tech.
ChEMBL_1504432 (CHEMBL3592997)
IC50
<15±n/a nM
Citation
 Sweis, RF; Wang, Z; Algire, M; Arrowsmith, CH; Brown, PJ; Chiang, GG; Guo, J; Jakob, CG; Kennedy, S; Li, F; Maag, D; Shaw, B; Soni, NB; Vedadi, M; Pappano, WN Discovery of A-893, A New Cell-Active Benzoxazinone Inhibitor of Lysine Methyltransferase SMYD2. ACS Med Chem Lett 6:695-700 (2015) [PubMed]  Article 
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:
BDBM50075102
Synonyms:
CHEMBL3414623
Type:
Small organic molecule
Emp. Form.:
C36H42N6O
Mol. Mass.:
574.7583
SMILES:
Cc1cn(CCN2CCN(CC2)c2ccccc2-c2cc(cc(c2)C(=O)NCCCN2CCCC2)C#N)c2ccccc12
Structure:
Search PDB for entries with ligand similarity: