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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Definition:A member of the class of 1-benzothiophenes that is raloxifene in which the piperidin-1-yl group has been replaced by a pyrrolidin-1-yl group.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 6:137,218,398...137,239,970
Ensembl chr 6:137,218,376...137,236,258
JBrowse link
G Esr1 estrogen receptor 1 affects binding ISO LY 117018 binds to ESR1 protein CTD PMID:10397250 NCBI chr 1:41,192,029...41,594,799
Ensembl chr 1:41,192,824...41,594,796
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 chr11:88,203,863...88,273,301
Ensembl chr11:88,211,599...88,273,254
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 1:198,192,773...198,198,975
Ensembl chr 1:198,192,773...198,198,975
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 chr14:7,688,551...7,863,664
Ensembl chr14:7,688,551...7,863,664
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 chr17:70,586,345...70,603,289
Ensembl chr17:70,586,394...70,603,267
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19816
    role 19764
      application 19426
        pharmaceutical 19301
          drug 19301
            bone density conservation agent 5974
              LY 117018 6
Path 2
Term Annotations click to browse term
  CHEBI ontology 19816
    subatomic particle 19814
      composite particle 19814
        hadron 19814
          baryon 19814
            nucleon 19814
              atomic nucleus 19814
                atom 19814
                  main group element atom 19702
                    main group molecular entity 19702
                      s-block molecular entity 19461
                        hydrogen molecular entity 19452
                          hydrides 18707
                            inorganic hydride 17430
                              pnictogen hydride 17402
                                nitrogen hydride 17243
                                  azane 16960
                                    ammonia 16959
                                      organic amino compound 16958
                                        tertiary amino compound 8643
                                          N-alkylpyrrolidine 1141
                                            LY 117018 6
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