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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 (CD36 blood group) 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 7:80,602,207...80,679,274
Ensembl chr 7:80,369,575...80,679,277 		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 chr12:68,154,768...68,159,740
Ensembl chr12:68,154,768...68,159,740 		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 7:22,727,200...22,731,998
Ensembl chr 7:22,725,884...22,732,002 		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 chr 2:118,942,194...118,994,660
Ensembl chr 2:118,942,194...118,994,660 		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 chr20:46,008,908...46,016,561
Ensembl chr20:46,008,908...46,016,561 		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 chr 8:16,107,881...16,192,651
Ensembl chr 8:16,107,878...16,567,490 		JBrowse link
G SMYD2 SET and MYND domain containing 2 multiple interactions EXP LLY-507 binds to and results in decreased activity of SMYD2 protein CTD PMID:25825497 NCBI chr 1:214,281,159...214,337,131
Ensembl chr 1:214,281,102...214,337,131 		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 chr 6:31,575,565...31,578,336
Ensembl chr 6:31,575,565...31,578,336 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 26046
    chemical entity 26025
      group 25888
        pseudohalo group 4862
          cyano group 4862
            nitrile 4862
              LLY-507 8
Path 2
Term Annotations click to browse term
  CHEBI ontology 26046
    subatomic particle 26021
      composite particle 26021
        hadron 26021
          baryon 26021
            nucleon 26021
              atomic nucleus 26021
                atom 26021
                  main group element atom 25846
                    p-block element atom 25846
                      carbon group element atom 25443
                        carbon atom 25401
                          organic molecular entity 25401
                            heteroorganic entity 24779
                              organochalcogen compound 24391
                                organooxygen compound 24069
                                  carbon oxoacid 22771
                                    carboxylic acid 22751
                                      carboacyl group 20074
                                        univalent carboacyl group 20074
                                          carbamoyl group 19588
                                            carboxamide 19588
                                              monocarboxylic acid amide 16977
                                                arenecarboxamide 9000
                                                  benzamides 9000
                                                    LLY-507 8
paths to the root