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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:BMS 195614
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Accession:CHEBI:132571 term browser browse the term
Definition:A carboxamide resulting from the formal condensation of the carboxy group of 5,5-dimethyl-8-(quinolin-3-yl)-5,6-dihydronaphthalene-2-carboxylic acid with the amino group of p-aminobenzoic acid. It is a neutral retinoic acid receptor (RAR) alpha-selective antagonist (Ki = 2.5 nM). It displays no significant effect on nuclear receptor corepressor (NCoR) binding; moderately decreases SMRT binding to RAR. It antagonizes agonist-induced coactivator (CoA) recruitment.
Synonyms:exact_synonym: 4-({[5,5-dimethyl-8-(quinolin-3-yl)-5,6-dihydronaphthalen-2-yl]carbonyl}amino)benzoic acid
 related_synonym: 4-[(5,5-dimethyl-8-quinolin-3-yl-6H-naphthalene-2-carbonyl)amino]benzoic acid;   4-[[[5,6-Dihydro-5,5-dimethyl-8-(3-quinolinyl)-2-naphthalenyl]carbonyl]amino]benzoic acid;   BMS 614;   BMS195614;   BMS614;   CID:445091;   Formula=C29H24N2O3;   InChI=1S/C29H24N2O3/c1-29(2)14-13-23(21-15-19-5-3-4-6-26(19)30-17-21)24-16-20(9-12-25(24)29)27(32)31-22-10-7-18(8-11-22)28(33)34/h3-13,15-17H,14H2,1-2H3,(H,31,32)(H,33,34);   InChIKey=WGLMBRZXZDAQHP-UHFFFAOYSA-N;   SMILES=C1=CC=CC=2C1=NC=C(C2)C=3C=4C(C(CC3)(C)C)=CC=C(C4)C(NC=5C=CC(=CC5)C(=O)O)=O
 xref: CAS:253310-42-8;   PMID:11212271;   PMID:17906643;   PMID:9312028;   Reaxys:24414151


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Term Annotations click to browse term
  CHEBI ontology 19831
    role 19807
      biological role 19805
        pharmacological role 19054
          antagonist 17239
            retinoic acid receptor antagonist 43
              retinoic acid receptor alpha antagonist 42
                BMS 195614 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19831
    subatomic particle 19829
      composite particle 19829
        hadron 19829
          baryon 19829
            nucleon 19829
              atomic nucleus 19829
                atom 19829
                  main group element atom 19779
                    p-block element atom 19779
                      carbon group element atom 19728
                        carbon atom 19724
                          organic molecular entity 19724
                            heteroorganic entity 19477
                              organochalcogen compound 19240
                                organooxygen compound 19155
                                  carbon oxoacid 18613
                                    carboxylic acid 18610
                                      carboacyl group 17699
                                        univalent carboacyl group 17699
                                          carbamoyl group 17549
                                            carboxamide 17549
                                              secondary carboxamide 1216
                                                BMS 195614 0
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