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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-2157299
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Accession:CHEBI:137064 term browser browse the term
Definition:A pyrrolopyrazole that is 5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole which is substituted at positions 2 and 3 by 6-methylpyridin-2-yl and 6-(aminocarbonyl)quinolin-4-yl groups, respectively. A Transforming growth factor-betaRI (TGF-betaRI) kinase inhibitor, it blocks TGF-beta-mediated tumor growth in glioblastoma.
Synonyms:exact_synonym: 4-[2-(6-methylpyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline-6-carboxamide
 related_synonym: Formula=C22H19N5O;   InChI=1S/C22H19N5O/c1-13-4-2-5-18(25-13)21-20(19-6-3-11-27(19)26-21)15-9-10-24-17-8-7-14(22(23)28)12-16(15)17/h2,4-5,7-10,12H,3,6,11H2,1H3,(H2,23,28);   InChIKey=IVRXNBXKWIJUQB-UHFFFAOYSA-N;   LY2157299;   SMILES=C12=C(C=CN=C1C=CC(=C2)C(N)=O)C=3C(=NN4C3CCC4)C=5N=C(C=CC5)C;   galunisertib;   galunisertibum
 xref: CAS:700874-72-2;   KEGG:D10437
 xref_mesh: MESH:C557799
 xref: PMCID:PMC3734332;   PMCID:PMC4055765;   PMCID:PMC4652527;   PMID:18039567;   PMID:23826206;   PMID:24868575;   PMID:25424852;   PMID:25488804;   PMID:25529192;   PMID:25573078;   PMID:26057634;   PMID:26137087;   PMID:26309397;   PMID:26526984;   PMID:26902851;   PMID:26976322;   PMID:27197172;   PMID:27509307;   PMID:27756784;   PMID:27990167;   PMID:28230858;   PMID:28405618;   PMID:28436712;   PMID:28451833;   PMID:28481241;   Reaxys:14275134;   Wikipedia:Galunisertib


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LY-2157299 term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Abcb4 ATP binding cassette subfamily B member 4 multiple interactions ISO [ABCB4 protein affects the susceptibility to LY-2157299] which affects the expression of COL1A1 mRNA; [ABCB4 protein affects the susceptibility to LY-2157299] which affects the expression of CTNNB1 protein; [ABCB4 protein affects the susceptibility to LY-2157299] which affects the expression of FN1 protein; [ABCB4 protein affects the susceptibility to LY-2157299] which affects the expression of LAMC2 protein; [ABCB4 protein affects the susceptibility to LY-2157299] which affects the expression of TGFB1 mRNA; [ABCB4 protein affects the susceptibility to LY-2157299] which affects the phosphorylation of SMAD2 protein CTD PMID:29808285 NCBI chr 4:25,150,998...25,209,489
Ensembl chr 4:25,151,953...25,209,202
JBrowse link
G Acan aggrecan decreases expression EXP LY-2157299 results in decreased expression of ACAN mRNA CTD PMID:29660438 NCBI chr 1:132,981,034...133,044,416
Ensembl chr 1:132,981,582...133,043,627
JBrowse link
G Col1a1 collagen type I alpha 1 chain multiple interactions ISO [ABCB4 protein affects the susceptibility to LY-2157299] which affects the expression of COL1A1 mRNA CTD PMID:29808285 NCBI chr10:79,883,622...79,900,625
Ensembl chr10:79,883,622...79,900,624
JBrowse link
G Col2a1 collagen type II alpha 1 chain decreases expression EXP LY-2157299 results in decreased expression of COL2A1 mRNA CTD PMID:29660438 NCBI chr 7:129,098,489...129,127,620
Ensembl chr 7:129,098,786...129,127,546
JBrowse link
G Ctnnb1 catenin beta 1 multiple interactions ISO [ABCB4 protein affects the susceptibility to LY-2157299] which affects the expression of CTNNB1 protein CTD PMID:29808285 NCBI chr 8:120,640,008...120,667,110
Ensembl chr 8:120,639,995...120,667,111
JBrowse link
G Fn1 fibronectin 1 multiple interactions ISO [ABCB4 protein affects the susceptibility to LY-2157299] which affects the expression of FN1 protein CTD PMID:29808285 NCBI chr 9:73,196,044...73,264,695
Ensembl chr 9:73,196,044...73,264,678
JBrowse link
G Lamc2 laminin subunit gamma 2 multiple interactions ISO [ABCB4 protein affects the susceptibility to LY-2157299] which affects the expression of LAMC2 protein CTD PMID:29808285 NCBI chr13:65,284,664...65,344,200
Ensembl chr13:65,284,664...65,344,200
JBrowse link
G Smad2 SMAD family member 2 multiple interactions ISO [ABCB4 protein affects the susceptibility to LY-2157299] which affects the phosphorylation of SMAD2 protein CTD PMID:29808285 NCBI chr18:69,849,884...69,918,926
Ensembl chr18:69,850,377...69,912,323
JBrowse link
G Tgfb1 transforming growth factor, beta 1 multiple interactions ISO [ABCB4 protein affects the susceptibility to LY-2157299] which affects the expression of TGFB1 mRNA CTD PMID:29808285 NCBI chr 1:81,196,532...81,212,848
Ensembl chr 1:81,196,532...81,212,847
JBrowse link

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    role 19761
      application 19471
        pharmaceutical 19319
          drug 19319
            antineoplastic agent 17316
              LY-2157299 9
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  CHEBI ontology 19812
    subatomic particle 19811
      composite particle 19811
        hadron 19811
          baryon 19811
            nucleon 19811
              atomic nucleus 19811
                atom 19811
                  main group element atom 19708
                    p-block element atom 19708
                      carbon group element atom 19630
                        carbon atom 19620
                          organic molecular entity 19620
                            organic group 18728
                              organic divalent group 18719
                                organodiyl group 18719
                                  carbonyl group 18667
                                    carbonyl compound 18667
                                      carboxylic acid 18364
                                        carboacyl group 17482
                                          univalent carboacyl group 17482
                                            carbamoyl group 17298
                                              carboxamide 17298
                                                monocarboxylic acid amide 15014
                                                  LY-2157299 9
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