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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:IKK16
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Accession:CHEBI:92257 term browser browse the term
Definition:A 1-benzothiophene substituted by a 2-{4-[4-(pyrrolidin-1-yl)piperidine-1-carbonyl]anilino}pyrimidin-4-yl group at position 2. It is an IkappaB kinase (IKK) inhibitor.
Synonyms:exact_synonym: (4-{[4-(1-benzothiophen-2-yl)pyrimidin-2-yl]amino}phenyl)[4-(pyrrolidin-1-yl)piperidin-1-yl]methanone
 related_synonym: Formula=C28H29N5OS;   IKK Inhibitor VII;   IKK-16;   InChI=1S/C28H29N5OS/c34-27(33-17-12-23(13-18-33)32-15-3-4-16-32)20-7-9-22(10-8-20)30-28-29-14-11-24(31-28)26-19-21-5-1-2-6-25(21)35-26/h1-2,5-11,14,19,23H,3-4,12-13,15-18H2,(H,29,30,31);   InChIKey=BWZJBXAPRCVCKQ-UHFFFAOYSA-N;   SMILES=O=C(N1CCC(CC1)N1CCCC1)C1=CC=C(NC2=NC=CC(=N2)C2=CC3=CC=CC=C3S2)C=C1;   [4-[[4-(1-benzothiophen-2-yl)-2-pyrimidinyl]amino]phenyl]-[4-(1-pyrrolidinyl)-1-piperidinyl]methanone;   [4-[[4-(1-benzothiophen-2-yl)pyrimidin-2-yl]amino]phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
 xref: CAS:873225-46-8;   LINCS:LSM-2309;   PDBeChem:V17;   PMID:24854310;   PMID:29434604;   PMID:30300821;   PMID:30445257;   PMID:30684549;   PMID:31263039;   PMID:32205046;   PMID:32335479;   PMID:32518680;   PMID:33808065;   PMID:34059646;   PMID:34382010;   PMID:34884902;   PMID:34948051;   PMID:36166733;   PMID:36358633;   PMID:36703865


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Path 1
Term Annotations click to browse term
  CHEBI ontology 26504
    role 26326
      biological role 26305
        inhibitor 22569
          NF-kappaB inhibitor 2498
            IKK16 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 26504
    subatomic particle 26480
      composite particle 26480
        hadron 26480
          baryon 26480
            nucleon 26480
              atomic nucleus 26480
                atom 26480
                  main group element atom 26217
                    p-block element atom 26217
                      carbon group element atom 25660
                        carbon atom 25622
                          organic molecular entity 25622
                            heteroorganic entity 25005
                              organochalcogen compound 24601
                                organooxygen compound 24195
                                  carbon oxoacid 22808
                                    carboxylic acid 22788
                                      carboacyl group 20081
                                        univalent carboacyl group 20081
                                          carbamoyl group 19605
                                            carboxamide 19605
                                              monocarboxylic acid amide 17049
                                                arenecarboxamide 9008
                                                  benzamides 9008
                                                    IKK16 0
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