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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Definition:A member of the class of 1-benzothiophenes that is raloxifene in which the piperidin-1-yl group has been replaced by a pyrrolidin-1-yl group.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 19922
    role 19894
      application 19735
        pharmaceutical 19543
          drug 19543
            bone density conservation agent 6057
              LY 117018 6
Path 2
Term Annotations click to browse term
  CHEBI ontology 19922
    subatomic particle 19892
      composite particle 19892
        hadron 19920
          baryon 19892
            nucleon 19920
              atomic nucleus 19892
                atom 19892
                  main group element atom 19866
                    main group molecular entity 19838
                      s-block molecular entity 19698
                        hydrogen molecular entity 19679
                          hydrides 19181
                            inorganic hydride 18192
                              pnictogen hydride 18157
                                nitrogen hydride 18070
                                  azane 17873
                                    ammonia 17898
                                      organic amino compound 17898
                                        tertiary amino compound 10158
                                          N-alkylpyrrolidine 1236
                                            LY 117018 6
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