Reaction Details Report a problem with these data
Target
N-lysine methyltransferase SMYD2
Ligand
BDBM301815
Substrate
n/a
Meas. Tech.
Binding Affinity Assay
IC50
9830±n/a nM
Citation
 Chiang, GG; Pappano, WN; Sweis, RF; Wang, Z SMYD2 inhibitors US Patent  US9598381 Publication Date 3/21/2017 
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:
BDBM301815
Synonyms:
N-cyclohexyl-3-((3,4-dichlorophenethyl)amino)-N-(2-(4-(indolin-4-yl)piperazin-1-yl)ethyl)propanamide | US9598381, 12
Type:
Small organic molecule
Emp. Form.:
C31H43Cl2N5O
Mol. Mass.:
572.612
SMILES:
Clc1ccc(CCNCCC(=O)N(CCN2CCN(CC2)c2cccc3NCCc23)C2CCCCC2)cc1Cl
Structure:
Search PDB for entries with ligand similarity: