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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.
Term:LLY-507
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Accession:CHEBI:228258 term browser browse the term
Definition:A secondary carboxamide resulting from the formal condensation of the carboxy group of 5-cyano-2'-{4-[2-(3-methyl-1H-indol-1-yl)ethyl]piperazin-1-yl}[biphenyl]-3-carboxylic acid with the amino group of 3-(pyrrolidin-1-yl)propan-1-amine. It is a potent and selective inhibitor of SMYD2 and inhibits the ability of SMYD2 to methylate p53. It serves as a valuable chemical probe to aid in the dissection of SMYD2 function in cancer and other biological processes.
Synonyms:exact_synonym: 5-cyano-2'-{4-[2-(3-methyl-1H-indol-1-yl)ethyl]piperazin-1-yl}-N-[3-(pyrrolidin-1-yl)propyl][biphenyl]-3-carboxamide
 related_synonym: Formula=C36H42N6O;   InChI=1S/C36H42N6O/c1-28-27-42(34-11-4-2-9-32(28)34)22-19-40-17-20-41(21-18-40)35-12-5-3-10-33(35)30-23-29(26-37)24-31(25-30)36(43)38-13-8-16-39-14-6-7-15-39/h2-5,9-12,23-25,27H,6-8,13-22H2,1H3,(H,38,43);   InChIKey=PNYRDVBFYVDJJI-UHFFFAOYSA-N;   LLY507;   SMILES=CC1=CN(CCN2CCN(CC2)C2=CC=CC=C2C2=CC(=CC(=C2)C#N)C(=O)NCCCN2CCCC2)C2=CC=CC=C12
 xref: CAS:1793053-37-8
 xref_mesh: MESH:C000600304
 xref: PMID:25825497;   PMID:30955858;   PMID:31730617;   PMID:33011288;   PMID:33407870;   PMID:34510321;   PMID:36270984;   PMID:37513898;   PMID:37524453


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LLY-507 term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Cd36 CD36 molecule multiple interactions ISO [LLY-507 affects the susceptibility to [Lipopolysaccharides co-treated with IFNG protein]] which results in decreased expression of CD36 mRNA CTD PMID:29718165 NCBI chr 4:17,317,343...17,410,084
Ensembl chr 4:17,354,466...17,513,903 		JBrowse link
G Ifng interferon gamma multiple interactions ISO [LLY-507 affects the susceptibility to [Lipopolysaccharides co-treated with IFNG protein]] which results in decreased expression of CD36 mRNA; [LLY-507 affects the susceptibility to [Lipopolysaccharides co-treated with IFNG protein]] which results in decreased expression of MARCO mRNA; [LLY-507 affects the susceptibility to [Lipopolysaccharides co-treated with IFNG protein]] which results in decreased expression of MMP9 mRNA; [LLY-507 affects the susceptibility to [Lipopolysaccharides co-treated with IFNG protein]] which results in decreased expression of MSR1 mRNA; [LLY-507 affects the susceptibility to [Lipopolysaccharides co-treated with IFNG protein]] which results in increased expression of IL6 mRNA; [LLY-507 affects the susceptibility to [Lipopolysaccharides co-treated with IFNG protein]] which results in increased expression of TNF mRNA CTD PMID:29718165 NCBI chr 7:53,903,339...53,907,375
Ensembl chr 7:53,903,337...53,907,375 		JBrowse link
G Il6 interleukin 6 multiple interactions ISO [LLY-507 affects the susceptibility to [Lipopolysaccharides co-treated with IFNG protein]] which results in increased expression of IL6 mRNA CTD PMID:29718165 NCBI chr 4:5,214,602...5,219,178
Ensembl chr 4:5,213,394...5,219,178 		JBrowse link
G Marco macrophage receptor with collagenous structure multiple interactions ISO [LLY-507 affects the susceptibility to [Lipopolysaccharides co-treated with IFNG protein]] which results in decreased expression of MARCO mRNA CTD PMID:29718165 NCBI chr13:31,616,278...31,648,521
Ensembl chr13:31,616,278...31,648,521 		JBrowse link
G Mmp9 matrix metallopeptidase 9 multiple interactions ISO [LLY-507 affects the susceptibility to [Lipopolysaccharides co-treated with IFNG protein]] which results in decreased expression of MMP9 mRNA CTD PMID:29718165 NCBI chr 3:153,684,158...153,692,118
Ensembl chr 3:153,683,858...153,692,120 		JBrowse link
G Msr1 macrophage scavenger receptor 1 multiple interactions ISO [LLY-507 affects the susceptibility to [Lipopolysaccharides co-treated with IFNG protein]] which results in decreased expression of MSR1 mRNA CTD PMID:29718165 NCBI chr16:52,717,775...52,803,602
Ensembl chr16:52,717,732...52,799,676 		JBrowse link
G Smyd2 SET and MYND domain containing 2 multiple interactions ISO LLY-507 binds to and results in decreased activity of SMYD2 protein CTD PMID:25825497 NCBI chr13:101,425,270...101,466,576
Ensembl chr13:101,425,273...101,466,576 		JBrowse link
G Tnf tumor necrosis factor multiple interactions ISO [LLY-507 affects the susceptibility to [Lipopolysaccharides co-treated with IFNG protein]] which results in increased expression of TNF mRNA CTD PMID:29718165 NCBI chr20:3,622,011...3,624,629
Ensembl chr20:3,622,011...3,624,629 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19841
    chemical entity 19839
      group 19798
        pseudohalo group 4573
          cyano group 4573
            nitrile 4573
              LLY-507 8
Path 2
Term Annotations click to browse term
  CHEBI ontology 19841
    subatomic particle 19839
      composite particle 19839
        hadron 19839
          baryon 19839
            nucleon 19839
              atomic nucleus 19839
                atom 19839
                  main group element atom 19789
                    p-block element atom 19789
                      carbon group element atom 19737
                        carbon atom 19733
                          organic molecular entity 19733
                            heteroorganic entity 19492
                              organochalcogen compound 19255
                                organooxygen compound 19172
                                  carbon oxoacid 18641
                                    carboxylic acid 18638
                                      carboacyl group 17698
                                        univalent carboacyl group 17698
                                          carbamoyl group 17548
                                            carboxamide 17548
                                              monocarboxylic acid amide 15680
                                                arenecarboxamide 8249
                                                  benzamides 8249
                                                    LLY-507 8
paths to the root