Reaction Details |
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Target | Histone-lysine N-methyltransferase SMYD3 |
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Ligand | BDBM378452 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1576442 (CHEMBL3803119) |
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IC50 | 2.0±n/a nM |
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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 Lett7:134-8 (2016) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Histone-lysine N-methyltransferase SMYD3 |
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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: | MEPLKVEKFATAKRGNGLRAVTPLRPGELLFRSDPLAYTVCKGSRGVVCDRCLLGKEKLM
RCSQCRVAKYCSAKCQKKAWPDHKRECKCLKSCKPRYPPDSVRLLGRVVFKLMDGAPSES
EKLYSFYDLESNINKLTEDKKEGLRQLVMTFQHFMREEIQDASQLPPAFDLFEAFAKVIC
NSFTICNAEMQEVGVGLYPSISLLNHSCDPNCSIVFNGPHLLLRAVRDIEVGEELTICYL
DMLMTSEERRKQLRDQYCFECDCFRCQTQDKDADMLTGDEQVWKEVQESLKKIEELKAHW
KWEQVLAMCQAIISSNSERLPDINIYQLKVLDCAMDACINLGLLEEALFYGTRTMEPYRI
FFPGSHPVRGVQVMKVGKLQLHQGMFPQAMKNLRLAFDIMRVTHGREHSLIEDLILLLEE
CDANIRAS
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BDBM378452 |
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n/a |
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Name | BDBM378452 |
Synonyms: | 6-chloro-N-((1R,3r,5S)-8-(((1-(3-hydroxypropyl)piperidin-4-yl)methyl)sulfonyl)-8-azabicyclo[3.2.1]octan-3-yl)-2-oxoindoline-5-carboxamide | US10266526, Compound 585 |
Type | Small organic molecule |
Emp. Form. | C25H35ClN4O5S |
Mol. Mass. | 539.087 |
SMILES | OCCCN1CCC(CS(=O)(=O)N2[C@H]3CC[C@@H]2C[C@@H](C3)NC(=O)c2cc3CC(=O)Nc3cc2Cl)CC1 |r,TLB:9:12:15.14:19.18.17| |
Structure |
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