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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:LY 117018
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Accession:CHEBI:90187 term browser browse the term
Definition:A member of the class of 1-benzothiophenes that is raloxifene in which the piperidin-1-yl group has been replaced by a pyrrolidin-1-yl group.
Synonyms:exact_synonym: [6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}methanone
 related_synonym: 6-hydroxy-2-(4-hydroxyphenyl)benzo[b]thien-3-yl 4-[2-(1-pyrrolidinyl)ethoxy] phenyl ketone;   Formula=C27H25NO4S;   InChI=1S/C27H25NO4S/c29-20-7-3-19(4-8-20)27-25(23-12-9-21(30)17-24(23)33-27)26(31)18-5-10-22(11-6-18)32-16-15-28-13-1-2-14-28/h3-12,17,29-30H,1-2,13-16H2;   InChIKey=JLERVPBPJHKRBJ-UHFFFAOYSA-N;   Lilly 117018;   SMILES=S1C(=C(C2=C1C=C(O)C=C2)C(=O)C3=CC=C(OCCN4CCCC4)C=C3)C5=CC=C(O)C=C5
 xref: CAS:63676-25-5
 xref_mesh: MESH:C025430
 xref: PMID:10533160;   PMID:10649447;   PMID:3342088;   PMID:6644235;   PMID:6872943;   PMID:9500493;   Reaxys:4239522



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LY 117018 term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Akt1 AKT serine/threonine kinase 1 decreases phosphorylation ISO LY 117018 results in decreased phosphorylation of AKT1 protein CTD PMID:15876410 NCBI chr 6:131,713,716...131,735,319
Ensembl chr 6:131,713,720...131,733,921
JBrowse link
G Esr1 estrogen receptor 1 affects binding ISO LY 117018 binds to ESR1 protein CTD PMID:10397250 NCBI chr 1:41,106,335...41,499,104
Ensembl chr 1:41,210,475...41,495,002
JBrowse link
G Mapk1 mitogen activated protein kinase 1 increases phosphorylation
multiple interactions
ISO LY 117018 results in increased phosphorylation of MAPK1 protein
U 0126 inhibits the reaction [LY 117018 results in increased phosphorylation of MAPK1 protein]
CTD PMID:17174166 NCBI chr11:83,957,813...84,023,629
Ensembl chr11:83,957,813...84,023,616
JBrowse link
G Mapk3 mitogen activated protein kinase 3 increases phosphorylation
multiple interactions
ISO LY 117018 results in increased phosphorylation of MAPK3 protein
U 0126 inhibits the reaction [LY 117018 results in increased phosphorylation of MAPK3 protein]
CTD PMID:17174166 NCBI chr 1:181,366,646...181,372,863
Ensembl chr 1:181,366,637...181,372,863
JBrowse link
G Ptpn13 protein tyrosine phosphatase, non-receptor type 13 increases expression ISO LY 117018 results in increased expression of PTPN13 mRNA CTD PMID:15876410 NCBI chr14:6,108,202...6,282,619
Ensembl chr14:6,108,211...6,282,563
JBrowse link
G Rbm17 RNA binding motif protein 17 multiple interactions ISO LY 117018 inhibits the reaction [RBM17 protein results in decreased susceptibility to Mitoxantrone] CTD PMID:16061639 NCBI chr17:66,937,140...66,954,034
Ensembl chr17:66,937,140...66,954,014
JBrowse link

Term paths to the root
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Term Annotations click to browse term
  CHEBI ontology 19757
    role 19730
      application 19563
        pharmaceutical 19440
          drug 19440
            bone density conservation agent 5997
              LY 117018 6
Path 2
Term Annotations click to browse term
  CHEBI ontology 19757
    subatomic particle 19755
      composite particle 19755
        hadron 19755
          baryon 19755
            nucleon 19755
              atomic nucleus 19755
                atom 19755
                  main group element atom 19703
                    main group molecular entity 19703
                      s-block molecular entity 19557
                        hydrogen molecular entity 19550
                          hydrides 19031
                            inorganic hydride 17955
                              pnictogen hydride 17940
                                nitrogen hydride 17836
                                  azane 17618
                                    ammonia 17617
                                      organic amino compound 17617
                                        tertiary amino compound 9929
                                          N-alkylpyrrolidine 1210
                                            LY 117018 6
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