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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:calmidazolium
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Accession:CHEBI:75400 term browser browse the term
Definition:An imidazolium ion that is imidazolium cation substituted by a bis(4-chlorophenyl)methyl group at position 1 and a 2-[(2,4-dichlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl group at position 3. It acts as an antagonist of calmodulin, a calcium binding messenger protein.
Synonyms:exact_synonym: 1-[bis(4-chlorophenyl)methyl]-3-{2-[(2,4-dichlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl}-1H-imidazol-3-ium
 related_synonym: Formula=C31H23Cl6N2O;   InChI=1S/C31H23Cl6N2O/c32-23-6-1-20(2-7-23)31(21-3-8-24(33)9-4-21)39-14-13-38(19-39)17-30(27-12-11-26(35)16-29(27)37)40-18-22-5-10-25(34)15-28(22)36/h1-16,19,30-31H,17-18H2/q+1;   InChIKey=CTKNMSVWMRRCPW-UHFFFAOYSA-N;   SMILES=Clc1ccc(cc1)C(c1ccc(Cl)cc1)n1cc[n+](CC(OCc2ccc(Cl)cc2Cl)c2ccc(Cl)cc2Cl)c1
 xref: CAS:95013-41-5;   LINCS:LSM-5017
 xref_mesh: MESH:C031938
 xref: PMID:10637138;   PMID:15113685;   PMID:15554916;   PMID:18629476;   PMID:26689736;   PMID:31263019;   PMID:35315336;   PMID:35897646;   PMID:35945584;   PMID:6319141;   PMID:6319599;   PMID:9879721;   Patent:DE4014540;   Patent:ES2142703;   Reaxys:4073265


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calmidazolium term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Casp3 caspase 3 increases activity ISO calmidazolium results in increased activity of CASP3 protein CTD PMID:27247146 NCBI chr16:45,662,910...45,681,171
Ensembl chr16:45,662,910...45,684,648 		JBrowse link
G Cyp11b3 cytochrome P450, family 11, subfamily b, polypeptide 3 multiple interactions ISO calmidazolium inhibits the reaction [Potassium results in increased expression of CYP11B2 mRNA] CTD PMID:12193581 NCBI chr 7:106,808,559...106,814,048
Ensembl chr 7:106,808,559...106,814,048 		JBrowse link
G F2 coagulation factor II, thrombin multiple interactions ISO calmidazolium affects the reaction [F2 protein results in increased secretion of Adenosine Triphosphate] CTD PMID:2030746 NCBI chr 3:77,596,196...77,609,486
Ensembl chr 3:77,596,198...77,609,486 		JBrowse link
G Il1b interleukin 1 beta multiple interactions ISO calmidazolium inhibits the reaction [IL1B protein results in increased expression of VCAM1 protein] CTD PMID:19281832 NCBI chr 3:116,577,005...116,583,386
Ensembl chr 3:116,577,010...116,583,415 		JBrowse link
G Mt1 metallothionein 1 increases expression EXP calmidazolium results in increased expression of MT1A mRNA CTD PMID:8128501 NCBI chr19:10,826,032...10,827,048
Ensembl chr19:10,826,032...10,827,049
Ensembl chr17:10,826,032...10,827,049 		JBrowse link
G Myc MYC proto-oncogene, bHLH transcription factor decreases expression ISO calmidazolium results in decreased expression of MYC CTD PMID:27247146 NCBI chr 7:93,593,705...93,598,633
Ensembl chr 7:93,593,705...93,598,630 		JBrowse link
G Myl9 myosin light chain 9 decreases phosphorylation EXP calmidazolium results in decreased phosphorylation of MYL9 protein CTD PMID:17272349 NCBI chr 3:145,281,943...145,288,333
Ensembl chr 3:145,281,937...145,288,333 		JBrowse link
G Ngf nerve growth factor multiple interactions EXP calmidazolium inhibits the reaction [NGF protein results in increased uptake of Calcium] CTD PMID:1374475 NCBI chr 2:189,901,058...189,954,452
Ensembl chr 2:189,901,058...189,954,452 		JBrowse link
G Nos3 nitric oxide synthase 3 decreases activity EXP calmidazolium results in decreased activity of NOS3 protein CTD PMID:1374468 NCBI chr 4:10,793,834...10,814,170
Ensembl chr 4:10,793,834...10,814,166 		JBrowse link
G P2rx7 purinergic receptor P2X 7 multiple interactions ISO calmidazolium inhibits the reaction [Adenosine Triphosphate binds to and results in increased activity of P2RX7 protein] CTD PMID:31263019 NCBI chr12:33,889,709...33,934,168
Ensembl chr12:33,879,745...33,934,619 		JBrowse link
G Rb1 RB transcriptional corepressor 1 decreases phosphorylation ISO calmidazolium results in decreased phosphorylation of RB1 protein CTD PMID:12901840 PMID:15708436 NCBI chr15:48,371,295...48,502,473
Ensembl chr15:48,371,296...48,502,302 		JBrowse link
G Rbl2 RB transcriptional corepressor like 2 decreases phosphorylation ISO calmidazolium results in decreased phosphorylation of RBL2 protein CTD PMID:15708436 NCBI chr19:15,876,852...15,923,632
Ensembl chr19:15,876,853...15,923,572 		JBrowse link
G Slc5a6 solute carrier family 5 member 6 multiple interactions ISO calmidazolium inhibits the reaction [SLC5A6 protein results in increased transport of Biotin] CTD PMID:15561972 NCBI chr 6:25,319,187...25,331,713
Ensembl chr 6:25,320,442...25,331,712 		JBrowse link
G Vcam1 vascular cell adhesion molecule 1 multiple interactions ISO calmidazolium inhibits the reaction [IL1B protein results in increased expression of VCAM1 protein] CTD PMID:19281832 NCBI chr 2:204,038,120...204,057,852
Ensembl chr 2:204,038,114...204,057,958 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19808
    role 19784
      biological role 19782
        biochemical role 19496
          apoptosis inducer 13624
            calmidazolium 14
              calmidazolium chloride 0
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
                    p-block element atom 19756
                      p-block molecular entity 19756
                        carbon group molecular entity 19705
                          organic molecular entity 19702
                            organic ion 9858
                              organic cation 8908
                                imidazolium ion 14
                                  calmidazolium 14
                                    calmidazolium chloride 0
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