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Target
Histone-lysine N-methyltransferase SMYD3
Ligand
BDBM50500876
Substrate
n/a
Meas. Tech.
ChEMBL_1576442 (CHEMBL3803119)
IC50
5.0±n/a nM
Citation
 Mitchell, LH; Boriack-Sjodin, PA; Smith, S; Thomenius, M; Rioux, N; Munchhof, M; Mills, JE; Klaus, C; Totman, J; Riera, TV; Raimondi, A; Jacques, SL; West, K; Foley, M; Waters, NJ; Kuntz, KW; Wigle, TJ; Scott, MP; Copeland, RA; Smith, JJ; Chesworth, R Novel Oxindole Sulfonamides and Sulfamides: EPZ031686, the First Orally Bioavailable Small Molecule SMYD3 Inhibitor. ACS Med Chem Lett 7:134-8 (2016) [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:
BDBM50500876
Synonyms:
CHEMBL3797575
Type:
Small organic molecule
Emp. Form.:
C22H29ClN4O4S
Mol. Mass.:
481.008
SMILES:
[H][C@]12CC[C@]([H])(C[C@@H](C1)NC(=O)c1cc3CC(=O)Nc3cc1Cl)N2S(=O)(=O)C[C@@H]1CCCNC1 |r|
Structure:
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