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Target
Histone-lysine N-methyltransferase SMYD3
Ligand
BDBM50502429
Substrate
n/a
Meas. Tech.
ChEMBL_1807501 (CHEMBL4306860)
IC50
140±n/a nM
Citation
 Huang, C; Liew, SS; Lin, GR; Poulsen, A; Ang, MJY; Chia, BCS; Chew, SY; Kwek, ZP; Wee, JLK; Ong, EH; Retna, P; Baburajendran, N; Li, R; Yu, W; Koh-Stenta, X; Ngo, A; Manesh, S; Fulwood, J; Ke, Z; Chung, HH; Sepramaniam, S; Chew, XH; Dinie, N; Lee, MA; Chew, YS; Low, CB; Pendharkar, V; Manoharan, V; Vuddagiri, S; Sangthongpitag, K; Joy, J; Matter, A; Hill, J; Keller, TH; Foo, K Discovery of Irreversible Inhibitors Targeting Histone Methyltransferase, SMYD3. ACS Med Chem Lett 10:978-984 (2019) [PubMed]  Article
Target
Name:
Histone-lysine N-methyltransferase SMYD3
Synonyms:
SET and MYND domain-containing protein 3 | SMYD3 | SMYD3_HUMAN | ZMYND1 | ZNFN3A1 | Zinc finger MYND domain-containing protein 1
Type:
Enzyme
Mol. Mass.:
49101.22
Organism:
Homo sapiens (Human)
Description:
Q9H7B4-2
Residue:
428
Sequence:
MEPLKVEKFATAKRGNGLRAVTPLRPGELLFRSDPLAYTVCKGSRGVVCDRCLLGKEKLMRCSQCRVAKYCSAKCQKKAWPDHKRECKCLKSCKPRYPPDSVRLLGRVVFKLMDGAPSESEKLYSFYDLESNINKLTEDKKEGLRQLVMTFQHFMREEIQDASQLPPAFDLFEAFAKVICNSFTICNAEMQEVGVGLYPSISLLNHSCDPNCSIVFNGPHLLLRAVRDIEVGEELTICYLDMLMTSEERRKQLRDQYCFECDCFRCQTQDKDADMLTGDEQVWKEVQESLKKIEELKAHWKWEQVLAMCQAIISSNSERLPDINIYQLKVLDCAMDACINLGLLEEALFYGTRTMEPYRIFFPGSHPVRGVQVMKVGKLQLHQGMFPQAMKNLRLAFDIMRVTHGREHSLIEDLILLLEECDANIRAS
  
Inhibitor
Name:
BDBM50502429
Synonyms:
CHEMBL4475972
Type:
Small organic molecule
Emp. Form.:
C23H28ClN3O3
Mol. Mass.:
429.94
SMILES:
CCCOC(=O)N1CCN([C@@H](C)C1)C(=O)c1ccc2c(Cl)c3CCCCc3nc2c1 |r|
Structure:
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