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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Definition:A member of the class of 1-benzothiophenes that is raloxifene in which the piperidin-1-yl group has been replaced by a pyrrolidin-1-yl group.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
Path 1
Term Annotations click to browse term
  CHEBI ontology 19880
    role 19850
      application 19695
        pharmaceutical 19532
          drug 19532
            bone density conservation agent 6064
              LY 117018 6
Path 2
Term Annotations click to browse term
  CHEBI ontology 19880
    subatomic particle 19878
      composite particle 19878
        hadron 19878
          baryon 19878
            nucleon 19878
              atomic nucleus 19878
                atom 19878
                  main group element atom 19817
                    main group molecular entity 19817
                      s-block molecular entity 19653
                        hydrogen molecular entity 19634
                          hydrides 19144
                            inorganic hydride 18161
                              pnictogen hydride 18151
                                nitrogen hydride 18064
                                  azane 17872
                                    ammonia 17871
                                      organic amino compound 17871
                                        tertiary amino compound 10153
                                          N-alkylpyrrolidine 1236
                                            LY 117018 6
paths to the root