Reaction Details Report a problem with these data
Target
N-lysine methyltransferase SMYD2
Ligand
BDBM283170
Substrate
n/a
Meas. Tech.
Scintillation Proximity Assay (SPA) for Detection of SMYD2 Enzymatic Inhibition
pH
9±n/a
IC50
>20000±n/a nM
Comments
extracted
Citation
Mowat, JS; Stellfeld, T; Stresemann, C; Hillig, R; Köhr, S; Stöckigt, D; Weiske, J; Brumby, T; Barak, N; Christ, C; Ter Laak, A; Badock, V; Crampton, RH; Stefanuti, I Aryl-cyanoguanidine compounds US Patent US10023539 Publication Date 7/17/2018
More Info.:
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:
BDBM283170
Synonyms:
N-[1-{N′-cyano-N-[5-(difluoromethoxy)-2-methoxyphenyl]carbamimidoyl}-3-(3,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-4-yl]-N-ethyl-2-hydroxyacetamide Isomer 1 | US10023539, Example 18.1 | US10023539, Example 18.2
Type:
Small organic molecule
Emp. Form.:
C23H22Cl2F2N6O4
Mol. Mass.:
555.361
SMILES:
CCN(C1CN(N=C1c1ccc(Cl)c(Cl)c1)C(\Nc1cc(OC(F)F)ccc1OC)=N/C#N)C(=O)CO |c:6|