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NMR chemical shift reference compound
Any compound that produces a peak used to reference an NMR spectrum during data pre-processing.
ChEBI ID: 228364
Members (27)
| Member | Definition | Class |
|---|---|---|
| 1,4-dioxane | A dioxane with oxygen atoms at positions 1 and 4. | 1,4-dioxane |
| 3-(trimethylsilyl)propanesulfonic acid | 1-Propanesulfonic acid, 3-(trimethylsilyl)- (sodium salt) | |
| 3-(trimethylsilyl)propionic acid | An organosilicon compound that is propionic acid substituted at position 3 by a trimethylsilyl group. It is used as internal reference in the NMR spectrum nuclear magnetic resonance for aqueous solvents (e.g. D2O). | 3-(trimethylsilyl)propionic acid |
| acetonitrile | A nitrile that is hydrogen cyanide in which the hydrogen has been replaced by a methyl group. | acetonitrile |
| ammonium bromide | An ammonium salt composed of ammonium and bromide ions in a 1:1 ratio. | ammonium bromide |
| ammonium hydroxide | An azane that consists of a single nitrogen atom covelently bonded to three hydrogen atoms. | ammonia |
| benzotrifluoride | A fluorohydrocarbon that is fluoroform in which the hydrogen is substituted by a phenyl group. | (trifluoromethyl)benzene |
| boron trifluoride | boron trifluoride | |
| fluorine | difluorine | |
| fluorobenzenes | The simplest member of the class of monofluorobenzenes that is benzene carrying a single fluoro substituent. | monofluorobenzene |
| hexafluoroacetone | A ketone that is acetone in which all the methyl hydrogens are replaced by fluoro groups. | hexafluoroacetone |
| hexafluorobenzene | A member of the class of fluorobenzenes that is benzene in which all six hydrogen atom have been replaced by fluorine. | hexafluorobenzene |
| hydrofluoric acid | A diatomic molecule containing covalently bonded hydrogen and fluorine atoms. | hydrogen fluoride |
| morpholine | An organic heteromonocyclic compound whose six-membered ring contains four carbon atoms and one nitrogen atom and one oxygen atom that lies opposite to each other; the parent compound of the morpholine family. | morpholine |
| nitromethane | A primary nitroalkane that is methane in which one of the hydrogens is replace by a nitro group. A polar solvent (b.p. 101 degreeC), it is an important starting material in organic synthesis. It is also used as a fuel for rockets and radio-controlled models. | nitromethane |
| phosphoric acid | A phosphorus oxoacid that consists of one oxo and three hydroxy groups joined covalently to a central phosphorus atom. | phosphoric acid |
| potassium fluoride | A fluoride salt having K+ as the counterion. | potassium fluoride |
| pyridine | An azaarene comprising a benzene core in which one -CH group is replaced by a nitrogen atom. It is the parent compound of the class pyridines. | pyridine |
| sodium acetate, anhydrous | sodium acetate | |
| sodium nitrate | The inorganic nitrate salt of sodium. | sodium nitrate |
| sulfur hexafluoride | A sulfur coordination entity consisting of six fluorine atoms attached to a central sulfur atom. It is the most potent greenhouse gas currently known, with a global warming potential of 23,900 times that of CO2 over a 100 year period (SF6 has an estimated lifetime in the atmosphere of between 800 and 3,000 years). | sulfur hexafluoride |
| tetramethylsilane | An organosilicon compound that is silane in which the hydrogens have been replaced by methyl groups. | tetramethylsilane |
| trichlorofluoromethane | A one-carbon compound that is methane in which the hydrogens have been replaced by three chlorine and one fluorine atom. | trichlorofluoromethane |
| trifluoroacetic acid | A monocarboxylic acid that is the trifluoro derivative of acetic acid. | trifluoroacetic acid |
| trimethyl phosphate | A trialkyl phosphate that is the trimethyl ester of phosphoric acid. | trimethyl phosphate |
| triphenylphosphine | A member of the class of tertiary phosphines that is phosphane in which the three hydrogens are replaced by phenyl groups. | triphenylphosphine |
| triphenylphosphine oxide | A phosphine oxide in which the substituents on phosphorus are three phenyl groups. | triphenylphosphane oxide |
Research
Studies (55,187)
| Timeframe | Studies, Drugs with This Role(%) | All Drugs % |
|---|---|---|
| pre-1990 | 15,779 (28.59) | 18.7374 |
| 1990's | 5,675 (10.28) | 18.2507 |
| 2000's | 12,096 (21.92) | 29.6817 |
| 2010's | 17,002 (30.81) | 24.3611 |
| 2020's | 4,635 (8.40) | 2.80 |
Study Types
| Publication Type | Studies, Drugs with this Role (%) | All Drugs (%) |
|---|---|---|
| Trials | 1,884 (3.20%) | 5.53% |
| Reviews | 2,660 (4.52%) | 6.00% |
| Case Studies | 1,780 (3.02%) | 4.05% |
| Observational | 66 (0.11%) | 0.25% |
| Other | 52,493 (89.15%) | 84.16% |
Protein Targets (85)
Potency Measurements
| Protein | Taxonomy | Measurement | Average (mM) | Bioassay(s) | Drugs |
|---|---|---|---|---|---|
| acetylcholinesterase | Homo sapiens (human) | Potency | 61.9928 | 1 | 2 |
| activating transcription factor 6 | Homo sapiens (human) | Potency | 3.7030 | 1 | 3 |
| aldehyde dehydrogenase 1 family, member A1 | Homo sapiens (human) | Potency | 25.1189 | 1 | 1 |
| AR protein | Homo sapiens (human) | Potency | 22.2384 | 6 | 10 |
| aryl hydrocarbon receptor | Homo sapiens (human) | Potency | 66.8495 | 1 | 1 |
| Cellular tumor antigen p53 | Homo sapiens (human) | Potency | 1.9652 | 1 | 1 |
| Chain A, TYROSYL-DNA PHOSPHODIESTERASE | Homo sapiens (human) | Potency | 29.0310 | 1 | 2 |
| cytochrome P450 3A4 isoform 1 | Homo sapiens (human) | Potency | 39.8107 | 2 | 2 |
| cytochrome P450, family 19, subfamily A, polypeptide 1, isoform CRA_a | Homo sapiens (human) | Potency | 48.5577 | 1 | 1 |
| estrogen nuclear receptor alpha | Homo sapiens (human) | Potency | 26.2549 | 4 | 8 |
| estrogen receptor 2 (ER beta) | Homo sapiens (human) | Potency | 24.2519 | 3 | 4 |
| estrogen-related nuclear receptor alpha | Homo sapiens (human) | Potency | 50.1599 | 6 | 19 |
| farnesoid X nuclear receptor | Homo sapiens (human) | Potency | 20.0723 | 1 | 3 |
| GABA theta subunit | Rattus norvegicus (Norway rat) | Potency | 39.8107 | 1 | 1 |
| Gamma-aminobutyric acid receptor subunit alpha-1 | Rattus norvegicus (Norway rat) | Potency | 39.8107 | 1 | 1 |
| Gamma-aminobutyric acid receptor subunit alpha-2 | Rattus norvegicus (Norway rat) | Potency | 39.8107 | 1 | 1 |
| Gamma-aminobutyric acid receptor subunit alpha-3 | Rattus norvegicus (Norway rat) | Potency | 39.8107 | 1 | 1 |
| Gamma-aminobutyric acid receptor subunit alpha-4 | Rattus norvegicus (Norway rat) | Potency | 39.8107 | 1 | 1 |
| Gamma-aminobutyric acid receptor subunit alpha-5 | Rattus norvegicus (Norway rat) | Potency | 39.8107 | 1 | 1 |
| Gamma-aminobutyric acid receptor subunit alpha-6 | Rattus norvegicus (Norway rat) | Potency | 39.8107 | 1 | 1 |
| Gamma-aminobutyric acid receptor subunit beta-1 | Rattus norvegicus (Norway rat) | Potency | 39.8107 | 1 | 1 |
| Gamma-aminobutyric acid receptor subunit beta-2 | Rattus norvegicus (Norway rat) | Potency | 39.8107 | 1 | 1 |
| Gamma-aminobutyric acid receptor subunit beta-3 | Rattus norvegicus (Norway rat) | Potency | 39.8107 | 1 | 1 |
| Gamma-aminobutyric acid receptor subunit delta | Rattus norvegicus (Norway rat) | Potency | 39.8107 | 1 | 1 |
| Gamma-aminobutyric acid receptor subunit epsilon | Rattus norvegicus (Norway rat) | Potency | 39.8107 | 1 | 1 |
| Gamma-aminobutyric acid receptor subunit gamma-1 | Rattus norvegicus (Norway rat) | Potency | 39.8107 | 1 | 1 |
| Gamma-aminobutyric acid receptor subunit gamma-2 | Rattus norvegicus (Norway rat) | Potency | 39.8107 | 1 | 1 |
| Gamma-aminobutyric acid receptor subunit gamma-3 | Rattus norvegicus (Norway rat) | Potency | 39.8107 | 1 | 1 |
| Gamma-aminobutyric acid receptor subunit pi | Rattus norvegicus (Norway rat) | Potency | 39.8107 | 1 | 1 |
| GLI family zinc finger 3 | Homo sapiens (human) | Potency | 33.1038 | 2 | 8 |
| glucocorticoid receptor [Homo sapiens] | Homo sapiens (human) | Potency | 2.1522 | 1 | 1 |
| Glutamate receptor 2 | Rattus norvegicus (Norway rat) | Potency | 48.9530 | 1 | 1 |
| heat shock protein beta-1 | Homo sapiens (human) | Potency | 3.2128 | 2 | 2 |
| Histone H2A.x | Cricetulus griseus (Chinese hamster) | Potency | 101.2065 | 1 | 2 |
| hypoxia-inducible factor 1 alpha subunit | Homo sapiens (human) | Potency | 62.8384 | 1 | 1 |
| interleukin 8 | Homo sapiens (human) | Potency | 74.9780 | 1 | 1 |
| lethal factor (plasmid) | Bacillus anthracis str. A2012 | Potency | 1.2589 | 1 | 1 |
| nuclear factor erythroid 2-related factor 2 isoform 1 | Homo sapiens (human) | Potency | 41.3486 | 3 | 7 |
| nuclear factor of kappa light polypeptide gene enhancer in B-cells 1 (p105), isoform CRA_a | Homo sapiens (human) | Potency | 1.3828 | 1 | 2 |
| nuclear receptor subfamily 1, group I, member 3 | Homo sapiens (human) | Potency | 40.9641 | 3 | 6 |
| peroxisome proliferator activated receptor gamma | Homo sapiens (human) | Potency | 61.4789 | 1 | 1 |
| peroxisome proliferator-activated receptor delta | Homo sapiens (human) | Potency | 50.1187 | 1 | 1 |
| potassium voltage-gated channel subfamily H member 2 isoform d | Homo sapiens (human) | Potency | 14.1254 | 1 | 1 |
| pregnane X nuclear receptor | Homo sapiens (human) | Potency | 38.4966 | 2 | 6 |
| pregnane X receptor | Rattus norvegicus (Norway rat) | Potency | 79.9598 | 1 | 2 |
| progesterone receptor | Homo sapiens (human) | Potency | 42.6121 | 2 | 3 |
| RAR-related orphan receptor gamma | Mus musculus (house mouse) | Potency | 23.3832 | 1 | 4 |
| retinoic acid nuclear receptor alpha variant 1 | Homo sapiens (human) | Potency | 45.8168 | 3 | 15 |
| retinoid X nuclear receptor alpha | Homo sapiens (human) | Potency | 30.6834 | 1 | 2 |
| SMAD family member 2 | Homo sapiens (human) | Potency | 22.1993 | 1 | 1 |
| SMAD family member 3 | Homo sapiens (human) | Potency | 22.1993 | 1 | 1 |
| thyroid hormone receptor beta isoform 2 | Rattus norvegicus (Norway rat) | Potency | 46.1852 | 3 | 7 |
| thyroid hormone receptor beta isoform a | Homo sapiens (human) | Potency | 12.5893 | 1 | 1 |
| thyroid stimulating hormone receptor | Homo sapiens (human) | Potency | 14.9910 | 3 | 5 |
| thyrotropin-releasing hormone receptor | Homo sapiens (human) | Potency | 31.1530 | 1 | 1 |
| v-jun sarcoma virus 17 oncogene homolog (avian) | Homo sapiens (human) | Potency | 15.7498 | 1 | 1 |
| vitamin D (1,25- dihydroxyvitamin D3) receptor | Homo sapiens (human) | Potency | 28.0820 | 2 | 2 |
| Voltage-dependent calcium channel gamma-2 subunit | Mus musculus (house mouse) | Potency | 48.9530 | 1 | 1 |
Inhibition Measurements
| Protein | Taxonomy | Measurement | Average (mM) | Bioassay(s) | Drugs |
|---|---|---|---|---|---|
| 2-dehydropantoate 2-reductase | Escherichia coli K-12 | Ki | 27,000.0000 | 1 | 1 |
| Carbonic anhydrase | Candida albicans SC5314 | Ki | 36.0000 | 1 | 1 |
| Carbonic anhydrase | Methanosarcina thermophila | Ki | 77,375.0000 | 4 | 4 |
| Carbonic anhydrase | Methanothermobacter thermautotrophicus str. Delta H | Ki | 1,000,000.0000 | 1 | 1 |
| Carbonic anhydrase | Stylophora pistillata | Ki | 920.0000 | 1 | 1 |
| Carbonic anhydrase | Astrosclera willeyana | Ki | 76,400.0000 | 1 | 1 |
| Carbonic anhydrase | Pseudomonas aeruginosa PAO1 | Ki | 14,200.0000 | 1 | 1 |
| Carbonic anhydrase | Stylophora pistillata | Ki | 620.0000 | 1 | 1 |
| Carbonic anhydrase 1 | Homo sapiens (human) | Ki | 153,063.1750 | 16 | 16 |
| Carbonic anhydrase 13 | Mus musculus (house mouse) | Ki | 3,000.0000 | 1 | 1 |
| Carbonic anhydrase 2 | Homo sapiens (human) | Ki | 117,687.8571 | 28 | 28 |
| Carbonic anhydrase 4 | Homo sapiens (human) | Ki | 230.0000 | 3 | 3 |
| Carbonic anhydrase 5A, mitochondrial | Homo sapiens (human) | Ki | 187,225.0000 | 4 | 4 |
| Carbonic anhydrase 5B, mitochondrial | Homo sapiens (human) | Ki | 241,000.0000 | 2 | 2 |
| Carbonic anhydrase 6 | Homo sapiens (human) | Ki | 600.0000 | 1 | 1 |
| Carbonic anhydrase 7 | Homo sapiens (human) | Ki | 1,240.0000 | 1 | 1 |
| Carbonic anhydrase 9 | Homo sapiens (human) | Ki | 82,000.0000 | 3 | 3 |
| Cytochrome P450 3A4 | Homo sapiens (human) | IC50 | 4,000.0000 | 1 | 1 |
| Fe(3+)-Zn(2+) purple acid phosphatase | Phaseolus vulgaris | Ki | 2,000.0000 | 1 | 1 |
| Integrase | Human immunodeficiency virus 1 | IC50 | 11.0000 | 2 | 2 |
| Mu-type opioid receptor | Rattus norvegicus (Norway rat) | Ki | 35,000.0000 | 1 | 1 |
| Nicotinate phosphoribosyltransferase | Homo sapiens (human) | Ki | 0.0008 | 1 | 1 |
| Nociceptin receptor | Mus musculus (house mouse) | Ki | 20,000.0000 | 1 | 1 |
| Ornithine transcarbamylase, mitochondrial | Homo sapiens (human) | Ki | 12,666.6667 | 3 | 3 |
| Proto-oncogene tyrosine-protein kinase Src | Homo sapiens (human) | IC50 | 40,000.0000 | 2 | 2 |
Activation Measurements
| Protein | Taxonomy | Measurement | Average (mM) | Bioassay(s) | Drugs |
|---|---|---|---|---|---|
| Cytochrome P450 3A4 | Homo sapiens (human) | Kd | 4,500.0000 | 1 | 1 |
| Free fatty acid receptor 3 | Rattus norvegicus (Norway rat) | EC50 | 1,000.0000 | 1 | 1 |