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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:batimastat
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Accession:CHEBI:195398 term browser browse the term
Definition:A secondary carboxamide resulting from the formal condensation of the carboxy group of (2S,3R)-5-methyl-3-{[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl}-2-[(thiophen-2-ylsulfanyl)methyl]hexanoic acid with the amino group of hydroxylamine. It a broad-spectrum matrix metalloprotease inhibitor.
Synonyms:exact_synonym: (2R,3S)-N(4)-hydroxy-N(1)-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-2-(2-methylpropyl)-3-[(thiophen-2-ylsulfanyl)methyl]butanediamide
 related_synonym: (2R,3S)-N(4)-hydroxy-N(1)-[(1S)-2-(methylamino)-2-oxo-1-(phenylmethyl)ethyl]-2-(2-methylpropyl)-3-[(2-thienylthio)methyl]butanediamide;   4-(N-hydroxyamino)-2R-isobutyl-3S-(thiopen-2-ylthiomethyl)-succinyl-L-phenylalanine-N-methylamide;   BB-94;   BB94;   Formula=C23H31N3O4S2;   InChI=1S/C23H31N3O4S2/c1-15(2)12-17(18(22(28)26-30)14-32-20-10-7-11-31-20)21(27)25-19(23(29)24-3)13-16-8-5-4-6-9-16/h4-11,15,17-19,30H,12-14H2,1-3H3,(H,24,29)(H,25,27)(H,26,28)/t17-,18+,19+/m1/s1;   InChIKey=XFILPEOLDIKJHX-QYZOEREBSA-N;   SMILES=CNC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(C)C)[C@H](CSC1=CC=CS1)C(=O)NO;   batimastatum
 alt_id: CHEBI:40976
 xref: CAS:130370-60-4;   Chemspider:4515033;   DrugBank:DB03880;   KEGG:D03061;   LINCS:LSM-6276
 xref_mesh: MESH:C080985
 xref: MetaCyc:CPD-21519;   PDBeChem:BAT;   PMID:10100701;   PMID:10416010;   PMID:10566008;   PMID:10628317;   PMID:11129784;   PMID:11435723;   PMID:11575928;   PMID:11718018;   PMID:12172929;   PMID:14741217;   PMID:15206921;   PMID:22684055;   PMID:24819550;   PMID:26443597;   PMID:26546696;   PMID:26559179;   PMID:28417261;   PMID:32048249;   PMID:32397419;   PMID:32411205;   PMID:33330030;   PMID:34055088;   PMID:34060428;   PMID:36001659;   PMID:36482856;   PMID:36825288;   PMID:37302822;   PMID:7577999;   PMID:7627972;   PMID:8062271;   PMID:8347186;   PMID:8610113;   PMID:8665519;   PMID:8913271;   PMID:8913840;   PMID:9816289;   PMID:9882797;   PMID:9932102;   Wikipedia:Batimastat



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batimastat term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Ache acetylcholinesterase multiple interactions ISO batimastat results in decreased metabolism of and results in decreased secretion of ACHE protein CTD PMID:23047022 NCBI chr12:19,406,133...19,413,713
Ensembl chr12:19,407,360...19,413,651
JBrowse link
G Areg amphiregulin decreases secretion
multiple interactions
ISO batimastat results in decreased secretion of AREG protein
batimastat inhibits the reaction [pervanadate results in increased cleavage of AREG protein]; batimastat inhibits the reaction [Tetrachlorodibenzodioxin results in increased secretion of AREG protein]
CTD PMID:9685416 PMID:27117977 NCBI chr14:16,972,185...16,981,443
Ensembl chr14:16,972,187...16,981,535
JBrowse link
G Erbb4 erb-b2 receptor tyrosine kinase 4 multiple interactions ISO batimastat inhibits the reaction [pervanadate results in increased cleavage of ERBB4 protein] CTD PMID:9685416 NCBI chr 9:69,523,733...70,596,743
Ensembl chr 9:69,531,481...70,596,595
JBrowse link
G Ereg epiregulin multiple interactions ISO batimastat inhibits the reaction [Tetrachlorodibenzodioxin results in increased secretion of EREG protein] CTD PMID:27117977 NCBI chr14:17,027,287...17,041,062
Ensembl chr14:17,027,287...17,041,062
JBrowse link
G Furin furin (paired basic amino acid cleaving enzyme) decreases activity ISO batimastat results in decreased activity of FURIN protein CTD PMID:15632106 NCBI chr 1:134,348,142...134,361,182
Ensembl chr 1:134,348,144...134,364,314
JBrowse link
G Il5ra interleukin 5 receptor subunit alpha decreases cleavage ISO batimastat results in decreased cleavage of IL5RA protein CTD PMID:12444155 NCBI chr 4:139,630,652...139,664,593
Ensembl chr 4:139,632,066...139,668,544
JBrowse link
G Mapk1 mitogen activated protein kinase 1 decreases activity
multiple interactions
ISO batimastat results in decreased activity of MAPK1 protein
batimastat inhibits the reaction [NTS protein results in increased phosphorylation of and results in increased activity of MAPK1 protein]; batimastat inhibits the reaction [TAC1 protein results in increased phosphorylation of and results in increased activity of MAPK1 protein]; batimastat inhibits the reaction [Tetrachlorodibenzodioxin results in increased activity of MAPK1 protein]
CTD PMID:15247267 PMID:15319441 PMID:27117977 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 decreases activity
multiple interactions
ISO batimastat results in decreased activity of MAPK3 protein
batimastat inhibits the reaction [NTS protein results in increased phosphorylation of and results in increased activity of MAPK3 protein]; batimastat inhibits the reaction [TAC1 protein results in increased phosphorylation of and results in increased activity of MAPK3 protein]; batimastat inhibits the reaction [Tetrachlorodibenzodioxin results in increased activity of MAPK3 protein]
CTD PMID:15247267 PMID:15319441 PMID:27117977 NCBI chr 1:181,366,646...181,372,863
Ensembl chr 1:181,366,637...181,372,863
JBrowse link
G Nts neurotensin multiple interactions ISO batimastat inhibits the reaction [NTS protein results in increased phosphorylation of and results in increased activity of MAPK1 protein]; batimastat inhibits the reaction [NTS protein results in increased phosphorylation of and results in increased activity of MAPK3 protein] CTD PMID:15247267 NCBI chr 7:37,564,944...37,574,350
Ensembl chr 7:37,564,533...37,574,423
JBrowse link
G Tac1 tachykinin, precursor 1 multiple interactions ISO batimastat inhibits the reaction [TAC1 protein results in increased phosphorylation of and results in increased activity of MAPK1 protein]; batimastat inhibits the reaction [TAC1 protein results in increased phosphorylation of and results in increased activity of MAPK3 protein]; batimastat inhibits the reaction [TAC1 protein results in increased secretion of TGFA protein] CTD PMID:15319441 NCBI chr 4:35,679,183...35,687,180
Ensembl chr 4:35,679,704...35,687,178
JBrowse link
G Tgfa transforming growth factor alpha multiple interactions
decreases secretion
ISO batimastat inhibits the reaction [TAC1 protein results in increased secretion of TGFA protein]; batimastat inhibits the reaction [Tetrachlorodibenzodioxin results in increased secretion of TGFA protein]
batimastat results in decreased secretion of TGFA protein
CTD PMID:15319441 PMID:27117977 NCBI chr 4:118,618,043...118,700,897
Ensembl chr 4:118,618,269...118,700,894
JBrowse link
G Timp2 TIMP metallopeptidase inhibitor 2 decreases activity ISO batimastat results in decreased activity of TIMP2 protein CTD PMID:15632106 NCBI chr10:103,541,199...103,590,611
Ensembl chr10:103,531,505...103,590,611
JBrowse link
G Tnf tumor necrosis factor multiple interactions ISO batimastat inhibits the reaction [tributyltin results in increased secretion of TNF protein] CTD PMID:29532501 NCBI chr20:3,622,011...3,624,629
Ensembl chr20:3,622,011...3,624,629
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19808
    role 19784
      application 19627
        pharmaceutical 19468
          drug 19468
            antineoplastic agent 17749
              batimastat 13
Path 2
Term Annotations click to browse term
  CHEBI ontology 19808
    subatomic particle 19806
      composite particle 19806
        hadron 19806
          baryon 19806
            nucleon 19806
              atomic nucleus 19806
                atom 19806
                  main group element atom 19756
                    main group molecular entity 19756
                      s-block molecular entity 19595
                        hydrogen molecular entity 19582
                          hydrides 19095
                            organic hydride 18669
                              organic fundamental parent 18669
                                hydrocarbon 18415
                                  cyclic hydrocarbon 17215
                                    monocyclic hydrocarbon 6141
                                      annulene 5792
                                        aromatic annulene 5792
                                          benzene 5792
                                            alkylbenzene 3505
                                              methylbenzene 3366
                                                toluene 3238
                                                  benzyl group 2648
                                                    phenylalanine 2648
                                                      L-phenylalanine 2373
                                                        L-phenylalanine derivative 2334
                                                          batimastat 13
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