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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Definition:A member of the class of 1-benzothiophenes that is raloxifene in which the piperidin-1-yl group has been replaced by a pyrrolidin-1-yl group.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 19800
    role 19751
      application 19498
        pharmaceutical 19356
          drug 19356
            bone density conservation agent 6003
              LY 117018 6
Path 2
Term Annotations click to browse term
  CHEBI ontology 19800
    subatomic particle 19799
      composite particle 19799
        hadron 19799
          baryon 19799
            nucleon 19799
              atomic nucleus 19799
                atom 19799
                  main group element atom 19698
                    main group molecular entity 19698
                      s-block molecular entity 19479
                        hydrogen molecular entity 19471
                          hydrides 18834
                            inorganic hydride 17691
                              pnictogen hydride 17671
                                nitrogen hydride 17543
                                  azane 17278
                                    ammonia 17277
                                      organic amino compound 17277
                                        tertiary amino compound 8697
                                          N-alkylpyrrolidine 1183
                                            LY 117018 6
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