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|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
102 | nhr | 0B. DAX-like receptors | 636 | SHP | 8,838 | compound 10 [PMID: 18759424] | Synthetic organic | 82,888 | None | Binding | false | 252,827,495 | false | 6.3 | pIC50 | 29,925 | Journal | J Med Chem | Adamantyl-substituted retinoid-derived molecules that interact with the orphan nuclear receptor small heterodimer partner: effects of replacing the 1-adamantyl or hydroxyl group on inhibition of cancer cell growth, induction of cancer cell apoptosis, and inhibition of SRC homology 2 domain-containing protein tyrosine phosphatase-2 activity. | 18,759,424 | null | PMC4097887 |
|
922 | enzyme | 1.1.1.42 Isocitrate dehydrogenases | 2,885 | isocitrate dehydrogenase (NADP(+)) 2 | 8,960 | enasidenib | Synthetic organic | 83,689 | Inhibitor | Binding | true | FDA (2017) | 310,264,741 | false | null | - | 30,371 | Patent | null | Therapeutically active compounds and their methods of use. | null | null | null |
922 | enzyme | 1.1.1.42 Isocitrate dehydrogenases | 2,885 | isocitrate dehydrogenase (NADP(+)) 2 | 12,340 | LY3410738 | Synthetic organic | 89,098 | Inhibitor | Inhibition | false | 479,821,131 | false | 6.05 | pIC50 | 44,570 | Patent | null | 7-phenylethylamino-4H-pyrimido[4,5-d][1,3]oxazin-2-one compounds as mutant IDH1 and IDH2 inhibitors | null | null | null |
|
922 | enzyme | 1.1.1.42 Isocitrate dehydrogenases | 2,885 | isocitrate dehydrogenase (NADP(+)) 2 | 10,663 | vorasidenib | Synthetic organic | 87,066 | Inhibitor | Inhibition | false | 404,859,110 | false | null | - | 38,752 | Journal | ACS Med Chem Lett | Vorasidenib (AG-881): A First-in-Class, Brain-Penetrant Dual Inhibitor of Mutant IDH1 and 2 for Treatment of Glioma. | 32,071,674 | 10.1021/acsmedchemlett.9b00509 | null |
|
922 | enzyme | 1.1.1.42 Isocitrate dehydrogenases | 2,884 | isocitrate dehydrogenase (NADP(+)) 1 | 9,217 | ivosidenib | Synthetic organic | 83,688 | Inhibitor | Inhibition | true | FDA (2018), EMA (2023) | 315,661,293 | true | null | - | 31,205 | Patent | null | Therapeutically active compounds and their methods of use | null | null | null |
922 | enzyme | 1.1.1.42 Isocitrate dehydrogenases | 2,884 | isocitrate dehydrogenase (NADP(+)) 1 | 12,340 | LY3410738 | Synthetic organic | 89,097 | Inhibitor | Inhibition | false | 479,821,131 | false | 8.2 | pIC50 | 44,570 | Patent | null | 7-phenylethylamino-4H-pyrimido[4,5-d][1,3]oxazin-2-one compounds as mutant IDH1 and IDH2 inhibitors | null | null | null |
|
922 | enzyme | 1.1.1.42 Isocitrate dehydrogenases | 2,884 | isocitrate dehydrogenase (NADP(+)) 1 | 9,240 | AGI-5198 | Synthetic organic | 83,752 | Inhibitor | Inhibition | false | 315,661,315 | true | 4.89 | pKi | null | null | null | null | null | null | null |
|
922 | enzyme | 1.1.1.42 Isocitrate dehydrogenases | 2,884 | isocitrate dehydrogenase (NADP(+)) 1 | 12,340 | LY3410738 | Synthetic organic | 89,096 | Inhibitor | Inhibition | false | 479,821,131 | false | 6.98 | pIC50 | 44,570 | Patent | null | 7-phenylethylamino-4H-pyrimido[4,5-d][1,3]oxazin-2-one compounds as mutant IDH1 and IDH2 inhibitors | null | null | null |
|
922 | enzyme | 1.1.1.42 Isocitrate dehydrogenases | 2,884 | isocitrate dehydrogenase (NADP(+)) 1 | 10,319 | olutasidenib | Synthetic organic | 86,199 | Inhibitor | Inhibition | true | FDA (2022) | 381,745,000 | false | null | pIC50 | 37,387 | Patent | null | Pyridin-2(1H)-one quinolinone derivatives as mutant-isocitrate dehydrogenase inhibitors | null | null | null |
922 | enzyme | 1.1.1.42 Isocitrate dehydrogenases | 2,884 | isocitrate dehydrogenase (NADP(+)) 1 | 11,884 | safusidenib | Synthetic organic | 88,488 | Inhibitor | Inhibition | false | 461,663,440 | false | 6.89 | pIC50 | 43,349 | Journal | Mol Cancer Ther | A Potent Blood-Brain Barrier-Permeable Mutant IDH1 Inhibitor Suppresses the Growth of Glioblastoma with IDH1 Mutation in a Patient-Derived Orthotopic Xenograft Model. | 31,727,689 | null |
||
922 | enzyme | 1.1.1.42 Isocitrate dehydrogenases | 2,884 | isocitrate dehydrogenase (NADP(+)) 1 | 10,663 | vorasidenib | Synthetic organic | 87,065 | Inhibitor | Inhibition | false | 404,859,110 | false | null | - | 38,752 | Journal | ACS Med Chem Lett | Vorasidenib (AG-881): A First-in-Class, Brain-Penetrant Dual Inhibitor of Mutant IDH1 and 2 for Treatment of Glioma. | 32,071,674 | 10.1021/acsmedchemlett.9b00509 | null |
|
899 | enzyme | 1.13.11.- Dioxygenases | 2,829 | indoleamine 2,3-dioxygenase 1 | 9,019 | navoximod | Synthetic organic | 83,385 | Inhibitor | Inhibition | false | 315,661,104 | false | 8.24 | pKi | 38,078 | Journal | J Med Chem | Discovery of Clinical Candidate (1<i>R</i>,4<i>r</i>)-4-((<i>R</i>)-2-((<i>S</i>)-6-Fluoro-5<i>H</i>-imidazo[5,1-<i>a</i>]isoindol-5-yl)-1-hydroxyethyl)cyclohexan-1-ol (Navoximod), a Potent and Selective Inhibitor of Indoleamine 2,3-Dioxygenase 1. | 31,264,862 | null |
||
899 | enzyme | 1.13.11.- Dioxygenases | 2,829 | indoleamine 2,3-dioxygenase 1 | 9,750 | necrostatin-1 | Synthetic organic | 84,754 | Inhibitor | Inhibition | false | 354,702,223 | false | 4.94 | pKi | 34,030 | Journal | Nat Med | Inhibition of indoleamine 2,3-dioxygenase, an immunoregulatory target of the cancer suppression gene Bin1, potentiates cancer chemotherapy. | 15,711,557 | null | null |
|
899 | enzyme | 1.13.11.- Dioxygenases | 3,019 | indoleamine 2,3-dioxygenase 2 | 10,126 | tryptanthrin 5i | Synthetic organic | 85,686 | Inhibitor | Inhibition | false | 381,118,836 | false | 5.74 | pIC50 | 36,340 | Journal | Eur J Med Chem | Establishment of a human indoleamine 2, 3-dioxygenase 2 (hIDO2) bioassay system and discovery of tryptanthrin derivatives as potent hIDO2 inhibitors. | 27,475,108 | null |
||
899 | enzyme | 1.13.11.- Dioxygenases | 3,019 | indoleamine 2,3-dioxygenase 2 | 10,126 | tryptanthrin 5i | Synthetic organic | 85,685 | Inhibitor | Inhibition | false | 381,118,836 | false | 6.01 | pKi | 36,340 | Journal | Eur J Med Chem | Establishment of a human indoleamine 2, 3-dioxygenase 2 (hIDO2) bioassay system and discovery of tryptanthrin derivatives as potent hIDO2 inhibitors. | 27,475,108 | null |
||
899 | enzyme | 1.13.11.- Dioxygenases | 3,019 | indoleamine 2,3-dioxygenase 2 | 12,668 | example 184 [WO2014186035] | Synthetic organic | 89,777 | Inhibitor | Inhibition | false | 483,123,216 | false | 6 | pIC50 | 45,531 | Patent | null | Inhibitors of the kynurenine pathway | null | null | null |
|
899 | enzyme | 1.13.11.- Dioxygenases | 2,829 | indoleamine 2,3-dioxygenase 1 | 10,126 | tryptanthrin 5i | Synthetic organic | 85,689 | Inhibitor | Inhibition | false | 381,118,836 | false | 6.99 | pIC50 | 36,340 | Journal | Eur J Med Chem | Establishment of a human indoleamine 2, 3-dioxygenase 2 (hIDO2) bioassay system and discovery of tryptanthrin derivatives as potent hIDO2 inhibitors. | 27,475,108 | null |
||
899 | enzyme | 1.13.11.- Dioxygenases | 2,829 | indoleamine 2,3-dioxygenase 1 | 10,126 | tryptanthrin 5i | Synthetic organic | 85,688 | Inhibitor | Inhibition | false | 381,118,836 | false | 7.27 | pKi | 36,340 | Journal | Eur J Med Chem | Establishment of a human indoleamine 2, 3-dioxygenase 2 (hIDO2) bioassay system and discovery of tryptanthrin derivatives as potent hIDO2 inhibitors. | 27,475,108 | null |
||
899 | enzyme | 1.13.11.- Dioxygenases | 2,829 | indoleamine 2,3-dioxygenase 1 | 8,224 | tryptanthrin | Natural product | 81,828 | Inhibitor | Inhibition | false | 249,565,904 | false | 5.32 | pKi | 27,057 | Journal | J Med Chem | Discovery of tryptanthrin derivatives as potent inhibitors of indoleamine 2,3-dioxygenase with therapeutic activity in Lewis lung cancer (LLC) tumor-bearing mice. | 24,099,220 | null | null |
|
899 | enzyme | 1.13.11.- Dioxygenases | 2,829 | indoleamine 2,3-dioxygenase 1 | 9,565 | PF-06840003 | Synthetic organic | 84,344 | Inhibitor | Inhibition | false | 336,446,951 | false | 6.82 | pIC50 | 33,072 | Patent | null | Pyrrolidine-2,5-dione derivatives, pharmaceutical compositions and methods for use as ido1 inhibitors. | null | null | null |
|
899 | enzyme | 1.13.11.- Dioxygenases | 2,887 | tryptophan 2,3-dioxygenase | 9,019 | navoximod | Synthetic organic | 86,538 | Inhibitor | Inhibition | false | 315,661,104 | false | 6 | pIC50 | 35,557 | Journal | J Med Chem | Challenges and Opportunities in the Discovery of New Therapeutics Targeting the Kynurenine Pathway. | 26,207,924 | null |
||
899 | enzyme | 1.13.11.- Dioxygenases | 2,887 | tryptophan 2,3-dioxygenase | 9,016 | LM10 | Synthetic organic | 83,380 | Inhibitor | Inhibition | false | 315,661,101 | true | 5.25 | pKi | 30,562 | Journal | Proc Natl Acad Sci USA | Reversal of tumoral immune resistance by inhibition of tryptophan 2,3-dioxygenase. | 22,308,364 | null | PMC3289319 |
|
899 | enzyme | 1.13.11.- Dioxygenases | 2,887 | tryptophan 2,3-dioxygenase | 9,016 | LM10 | Synthetic organic | 83,381 | Inhibitor | Inhibition | false | 315,661,101 | true | 6.21 | pIC50 | 30,562 | Journal | Proc Natl Acad Sci USA | Reversal of tumoral immune resistance by inhibition of tryptophan 2,3-dioxygenase. | 22,308,364 | null | PMC3289319 |
|
899 | enzyme | 1.13.11.- Dioxygenases | 2,887 | tryptophan 2,3-dioxygenase | 9,016 | LM10 | Synthetic organic | 83,382 | Inhibitor | Inhibition | false | 315,661,101 | false | 5.71 | pIC50 | 30,562 | Journal | Proc Natl Acad Sci USA | Reversal of tumoral immune resistance by inhibition of tryptophan 2,3-dioxygenase. | 22,308,364 | null | PMC3289319 |
|
899 | enzyme | 1.13.11.- Dioxygenases | 2,887 | tryptophan 2,3-dioxygenase | 9,016 | LM10 | Synthetic organic | 83,380 | Inhibitor | Inhibition | false | 315,661,101 | true | 5.25 | pKi | 30,563 | Journal | J Med Chem | Tryptophan 2,3-dioxygenase (TDO) inhibitors. 3-(2-(pyridyl)ethenyl)indoles as potential anticancer immunomodulators. | 21,726,069 | null | null |
|
899 | enzyme | 1.13.11.- Dioxygenases | 3,019 | indoleamine 2,3-dioxygenase 2 | 10,126 | tryptanthrin 5i | Synthetic organic | 85,687 | Inhibitor | Inhibition | false | 381,118,836 | false | 6.35 | pIC50 | 36,340 | Journal | Eur J Med Chem | Establishment of a human indoleamine 2, 3-dioxygenase 2 (hIDO2) bioassay system and discovery of tryptanthrin derivatives as potent hIDO2 inhibitors. | 27,475,108 | null |
||
899 | enzyme | 1.13.11.- Dioxygenases | 2,829 | indoleamine 2,3-dioxygenase 1 | 8,225 | 1-methyl-L-tryptophan | Synthetic organic | 81,829 | Inhibitor | Inhibition | false | 249,565,905 | false | 4.37 | pKi | 27,057 | Journal | J Med Chem | Discovery of tryptanthrin derivatives as potent inhibitors of indoleamine 2,3-dioxygenase with therapeutic activity in Lewis lung cancer (LLC) tumor-bearing mice. | 24,099,220 | null | null |
|
899 | enzyme | 1.13.11.- Dioxygenases | 2,829 | indoleamine 2,3-dioxygenase 1 | 8,227 | amg-1 | Synthetic organic | 81,830 | Inhibitor | Inhibition | false | 249,565,907 | false | 5.52 | pIC50 | 27,060 | Journal | Biochim Biophys Acta | Purification and kinetic characterization of human indoleamine 2,3-dioxygenases 1 and 2 (IDO1 and IDO2) and discovery of selective IDO1 inhibitors. | 21,835,273 | null | null |
|
899 | enzyme | 1.13.11.- Dioxygenases | 2,829 | indoleamine 2,3-dioxygenase 1 | 8,222 | beta-carboline | Synthetic organic | 81,831 | Inhibitor | Inhibition | false | 249,565,902 | false | 0.92 | pKi | 27,062 | Journal | Bioorg Med Chem | Indol-2-yl ethanones as novel indoleamine 2,3-dioxygenase (IDO) inhibitors. | 21,269,836 | null | null |
|
899 | enzyme | 1.13.11.- Dioxygenases | 2,829 | indoleamine 2,3-dioxygenase 1 | 10,682 | compound 8u [PMID: 31999451] | Synthetic organic | 87,100 | Inhibitor | Inhibition | false | 404,859,129 | false | 7.1 | pKd | 38,829 | Journal | J Med Chem | Bifunctional Naphthoquinone Aromatic Amide-Oxime Derivatives Exert Combined Immunotherapeutic and Antitumor Effects through Simultaneous Targeting of Indoleamine-2,3-dioxygenase and Signal Transducer and Activator of Transcription 3. | 31,999,451 | null | null |
|
899 | enzyme | 1.13.11.- Dioxygenases | 2,829 | indoleamine 2,3-dioxygenase 1 | 8,221 | epacadostat | Synthetic organic | 81,826 | Inhibitor | Inhibition | false | 249,565,901 | true | 7.17 | pIC50 | 27,054 | Journal | J Med Chem | Discovery of potent competitive inhibitors of indoleamine 2,3-dioxygenase with in vivo pharmacodynamic activity and efficacy in a mouse melanoma model. | 19,507,862 | null | null |
|
899 | enzyme | 1.13.11.- Dioxygenases | 2,829 | indoleamine 2,3-dioxygenase 1 | 9,707 | linrodostat | Synthetic organic | 87,102 | Inhibitor | Inhibition | false | 348,353,666 | false | null | - | 38,831 | Journal | Proc Natl Acad Sci USA | Immune-modulating enzyme indoleamine 2,3-dioxygenase is effectively inhibited by targeting its apo-form. | 29,531,094 | null |
||
899 | enzyme | 1.13.11.- Dioxygenases | 2,829 | indoleamine 2,3-dioxygenase 1 | 9,940 | LW106 | Synthetic organic | 85,196 | Inhibitor | Inhibition | false | 363,894,234 | false | 5.8 | pIC50 | 35,001 | Journal | Br J Pharmacol | LW106, a novel indoleamine 2,3-dioxygenase 1 inhibitor, suppresses tumour progression by limiting stroma-immune crosstalk and cancer stem cell enrichment in tumour micro-environment. | 29,722,898 | null | PMC6016675 |
|
869 | enzyme | 1.14.11.- Histone demethylases | 2,673 | lysine demethylase 3A | 8,230 | IOX1 | Synthetic organic | 81,840 | Inhibitor | Inhibition | false | 249,565,910 | true | 7 | pIC50 | 27,117 | Journal | ChemMedChem | A cell-permeable ester derivative of the JmjC histone demethylase inhibitor IOX1. | 24,504,543 | null | PMC4503230 |
|
869 | enzyme | 1.14.11.- Histone demethylases | 2,671 | lysine demethylase 2A | 8,229 | IOX2 | Synthetic organic | 81,838 | Inhibitor | Inhibition | false | 249,565,909 | false | 7.28 | pIC50 | 27,116 | Journal | ACS Chem Biol | Selective small molecule probes for the hypoxia inducible factor (HIF) prolyl hydroxylases. | 23,683,440 | null | null |
|
869 | enzyme | 1.14.11.- Histone demethylases | 2,671 | lysine demethylase 2A | 7,025 | daminozide | Synthetic organic | 79,347 | Inhibitor | Inhibition | false | 178,103,604 | false | 5.82 | pIC50 | 24,165 | Journal | J Med Chem | Plant growth regulator daminozide is a selective inhibitor of human KDM2/7 histone demethylases. | 22,724,510 | null | PMC4673902 |
|
869 | enzyme | 1.14.11.- Histone demethylases | 2,669 | lysine demethylase 1A | 5,281 | tranylcypromine | Synthetic organic | 80,056 | Inhibitor | Inhibition | true | FDA (1961) | 178,101,964 | false | 4.4 | pIC50 | 24,161 | Journal | MBio | A novel selective LSD1/KDM1A inhibitor epigenetically blocks herpes simplex virus lytic replication and reactivation from latency. | 23,386,436 | null | PMC3565832 |
869 | enzyme | 1.14.11.- Histone demethylases | 2,669 | lysine demethylase 1A | 11,516 | TAK-418 | Synthetic organic | 87,987 | Inhibitor | Inhibition | false | 441,604,888 | false | 8.54 | pIC50 | 41,977 | Journal | Sci Adv | LSD1 enzyme inhibitor TAK-418 unlocks aberrant epigenetic machinery and improves autism symptoms in neurodevelopmental disorder models. | 33,712,455 | 10.1126/sciadv.aba1187 | null |
|
869 | enzyme | 1.14.11.- Histone demethylases | 2,669 | lysine demethylase 1A | 8,980 | RN-1 | Synthetic organic | 83,295 | Inhibitor | Inhibition | false | 310,264,760 | true | null | pIC50 | 30,419 | Journal | ACS Chem Neurosci | Brain-penetrant LSD1 inhibitors can block memory consolidation. | 22,754,608 | null | PMC3382965 |
|
869 | enzyme | 1.14.11.- Histone demethylases | 2,669 | lysine demethylase 1A | 8,390 | ORY-1001 | Synthetic organic | 84,267 | Activator | Activation | false | 252,166,601 | true | 7.7 | pIC50 | 32,716 | Journal | Epigenomics | KDM1 histone lysine demethylases as targets for treatments of oncological and neurodegenerative disease. | 26,111,032 | null | null |
|
869 | enzyme | 1.14.11.- Histone demethylases | 2,669 | lysine demethylase 1A | 7,024 | NCL-1 | Synthetic organic | 79,345 | Inhibitor | Inhibition | false | 178,103,603 | false | 5.8 | pIC50 | 24,162 | Journal | Bioorg Med Chem | Synthesis and biological activity of optically active NCL-1, a lysine-specific demethylase 1 selective inhibitor. | 21,227,703 | null | null |
|
869 | enzyme | 1.14.11.- Histone demethylases | 2,669 | lysine demethylase 1A | 8,241 | GSK-LSD1 | Synthetic organic | 81,857 | Inhibitor | Inhibition | false | 249,565,921 | true | 7.8 | pIC50 | 27,143 | Webpage | null | GSK-LSD1 - a chemical probe for LSD1. | null | null |
||
869 | enzyme | 1.14.11.- Histone demethylases | 2,669 | lysine demethylase 1A | 9,116 | GSK2879552 | Synthetic organic | 83,517 | Inhibitor | Inhibition | false | 315,661,201 | false | 6.4 | pIC50 | 30,869 | Patent | null | Cyclopropylamines as lsd1 inhibitors | null | null | null |
|
869 | enzyme | 1.14.11.- Histone demethylases | 2,669 | lysine demethylase 1A | 11,284 | CC-90011 | Synthetic organic | 87,625 | Inhibitor | Inhibition | false | 434,321,719 | false | 9.52 | pIC50 | 40,730 | Journal | J Med Chem | Discovery of CC-90011: A Potent and Selective Reversible Inhibitor of Lysine Specific Demethylase 1 (LSD1) | 33,034,194 | 10.1021/acs.jmedchem.0c00978 | null |
|
869 | enzyme | 1.14.11.- Histone demethylases | 2,669 | lysine demethylase 1A | 7,023 | OG-L002 | Synthetic organic | 80,055 | Inhibitor | Inhibition | false | 178,103,602 | false | 7.7 | pIC50 | 24,161 | Journal | MBio | A novel selective LSD1/KDM1A inhibitor epigenetically blocks herpes simplex virus lytic replication and reactivation from latency. | 23,386,436 | null | PMC3565832 |
|
869 | enzyme | 1.14.11.- Histone demethylases | 2,698 | PHD finger protein 8 | 7,025 | daminozide | Synthetic organic | 79,346 | Inhibitor | Inhibition | false | 178,103,604 | false | 6.26 | pIC50 | 24,165 | Journal | J Med Chem | Plant growth regulator daminozide is a selective inhibitor of human KDM2/7 histone demethylases. | 22,724,510 | null | PMC4673902 |
|
869 | enzyme | 1.14.11.- Histone demethylases | 2,686 | lysine demethylase 7A | 7,025 | daminozide | Synthetic organic | 79,348 | Inhibitor | Inhibition | false | 178,103,604 | false | 5.68 | pIC50 | 24,165 | Journal | J Med Chem | Plant growth regulator daminozide is a selective inhibitor of human KDM2/7 histone demethylases. | 22,724,510 | null | PMC4673902 |
|
869 | enzyme | 1.14.11.- Histone demethylases | 2,685 | lysine demethylase 6B | 12,807 | zavondemstat | Synthetic organic | 89,918 | Inhibitor | Inhibition | false | 483,123,355 | false | null | pIC50 | 45,828 | Patent | null | Histone demethylase inhibitors | null | null | null |
|
869 | enzyme | 1.14.11.- Histone demethylases | 2,685 | lysine demethylase 6B | 8,230 | IOX1 | Synthetic organic | 81,842 | Inhibitor | Inhibition | false | 249,565,910 | false | 5.8 | pIC50 | 27,117 | Journal | ChemMedChem | A cell-permeable ester derivative of the JmjC histone demethylase inhibitor IOX1. | 24,504,543 | null | PMC4503230 |
|
869 | enzyme | 1.14.11.- Histone demethylases | 2,685 | lysine demethylase 6B | 8,979 | GSK-J4 | Synthetic organic | 83,289 | Inhibitor | Inhibition | false | 310,264,759 | false | 5.07 | pIC50 | 30,418 | Journal | Nature | Inhibition of demethylases by GSK-J1/J4. | 25,279,926 | null | null |
|
869 | enzyme | 1.14.11.- Histone demethylases | 2,685 | lysine demethylase 6B | 7,027 | GSK-J1 | Synthetic organic | 79,352 | Inhibitor | Inhibition | false | 178,103,606 | false | null | pIC50 | 24,169 | Journal | Nature | A selective jumonji H3K27 demethylase inhibitor modulates the proinflammatory macrophage response. | 22,842,901 | null | PMC4691848 |
|
869 | enzyme | 1.14.11.- Histone demethylases | 2,685 | lysine demethylase 6B | 7,027 | GSK-J1 | Synthetic organic | 79,352 | Inhibitor | Inhibition | false | 178,103,606 | false | null | pIC50 | 30,418 | Journal | Nature | Inhibition of demethylases by GSK-J1/J4. | 25,279,926 | null | null |
|
869 | enzyme | 1.14.11.- Histone demethylases | 2,685 | lysine demethylase 6B | 9,960 | compound 3 [PMID: 29633584] | Synthetic organic | 85,227 | Inhibitor | Inhibition | false | 374,883,847 | true | 5.82 | pIC50 | 35,098 | Journal | ChemMedChem | Virtual Fragment Screening Identification of a Quinoline-5,8-dicarboxylic Acid Derivative as a Selective JMJD3 Inhibitor. | 29,633,584 | null | PMC6055880 |
|
869 | enzyme | 1.14.11.- Histone demethylases | 2,684 | lysine demethylase 6A | 10,141 | KDM5 inhibitor N71 | Synthetic organic | 85,721 | Inhibitor | Inhibition | false | 381,118,851 | false | 4.22 | pIC50 | 36,398 | Journal | J Med Chem | Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A. | 30,392,349 | null | PMC6467790 |
|
869 | enzyme | 1.14.11.- Histone demethylases | 2,684 | lysine demethylase 6A | 8,979 | GSK-J4 | Synthetic organic | 83,288 | Inhibitor | Inhibition | false | 310,264,759 | false | 5.18 | pIC50 | 30,418 | Journal | Nature | Inhibition of demethylases by GSK-J1/J4. | 25,279,926 | null | null |
|
869 | enzyme | 1.14.11.- Histone demethylases | 2,684 | lysine demethylase 6A | 7,027 | GSK-J1 | Synthetic organic | 83,287 | Inhibitor | Inhibition | false | 178,103,606 | false | 7.28 | pIC50 | 30,418 | Journal | Nature | Inhibition of demethylases by GSK-J1/J4. | 25,279,926 | null | null |
|
869 | enzyme | 1.14.11.- Histone demethylases | 2,682 | lysine demethylase 5C | 7,026 | PBIT | Synthetic organic | 79,351 | Inhibitor | Inhibition | false | 178,103,605 | false | 5.31 | pIC50 | 24,166 | Journal | J Biol Chem | Identification of small molecule inhibitors of Jumonji AT-rich interactive domain 1B (JARID1B) histone demethylase by a sensitive high throughput screen. | 23,408,432 | null | PMC3611010 |
|
869 | enzyme | 1.14.11.- Histone demethylases | 2,682 | lysine demethylase 5C | 8,229 | IOX2 | Synthetic organic | 81,839 | Inhibitor | Inhibition | false | 249,565,909 | false | 6.8 | pIC50 | 27,116 | Journal | ACS Chem Biol | Selective small molecule probes for the hypoxia inducible factor (HIF) prolyl hydroxylases. | 23,683,440 | null | null |
|
869 | enzyme | 1.14.11.- Histone demethylases | 2,682 | lysine demethylase 5C | 8,979 | GSK-J4 | Synthetic organic | 83,294 | Inhibitor | Inhibition | false | 310,264,759 | false | 4.82 | pIC50 | 30,418 | Journal | Nature | Inhibition of demethylases by GSK-J1/J4. | 25,279,926 | null | null |
|
869 | enzyme | 1.14.11.- Histone demethylases | 2,682 | lysine demethylase 5C | 7,027 | GSK-J1 | Synthetic organic | 83,293 | Inhibitor | Inhibition | false | 178,103,606 | false | 6.26 | pIC50 | 30,418 | Journal | Nature | Inhibition of demethylases by GSK-J1/J4. | 25,279,926 | null | null |
|
869 | enzyme | 1.14.11.- Histone demethylases | 2,681 | lysine demethylase 5B | 7,026 | PBIT | Synthetic organic | 79,349 | Inhibitor | Inhibition | false | 178,103,605 | false | 5.52 | pIC50 | 24,166 | Journal | J Biol Chem | Identification of small molecule inhibitors of Jumonji AT-rich interactive domain 1B (JARID1B) histone demethylase by a sensitive high throughput screen. | 23,408,432 | null | PMC3611010 |
|
869 | enzyme | 1.14.11.- Histone demethylases | 2,681 | lysine demethylase 5B | 8,576 | KDOAM25 | Synthetic organic | 89,969 | Inhibitor | Inhibition | false | 252,166,777 | false | 7.72 | pIC50 | 45,914 | Journal | Cell Chem Biol | Potent and Selective KDM5 Inhibitor Stops Cellular Demethylation of H3K4me3 at Transcription Start Sites and Proliferation of MM1S Myeloma Cells. | 28,262,558 | null |
||
869 | enzyme | 1.14.11.- Histone demethylases | 2,681 | lysine demethylase 5B | 10,141 | KDM5 inhibitor N71 | Synthetic organic | 85,719 | Inhibitor | Irreversible inhibition | false | 381,118,851 | true | 6.66 | pIC50 | 36,398 | Journal | J Med Chem | Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A. | 30,392,349 | null | PMC6467790 |
|
869 | enzyme | 1.14.11.- Histone demethylases | 2,681 | lysine demethylase 5B | 8,979 | GSK-J4 | Synthetic organic | 83,292 | Inhibitor | Inhibition | false | 310,264,759 | false | 5.01 | pIC50 | 30,418 | Journal | Nature | Inhibition of demethylases by GSK-J1/J4. | 25,279,926 | null | null |
|
869 | enzyme | 1.14.11.- Histone demethylases | 2,681 | lysine demethylase 5B | 7,027 | GSK-J1 | Synthetic organic | 83,291 | Inhibitor | Inhibition | false | 178,103,606 | false | 6.77 | pIC50 | 30,418 | Journal | Nature | Inhibition of demethylases by GSK-J1/J4. | 25,279,926 | null | null |
|
869 | enzyme | 1.14.11.- Histone demethylases | 2,681 | lysine demethylase 5B | 10,083 | Compound 9 [doi:10.26434/chemrxiv.7072592.v1] | Synthetic organic | 85,544 | Inhibitor | Inhibition | false | 375,973,270 | true | 6.52 | pIC50 | 36,158 | Journal | Angew Chem Int Ed Engl | Design, Synthesis and Characterization of Covalent KDM5 Inhibitors. | 30,431,220 | 10.26434/chemrxiv.7072592.v1 | null |
|
869 | enzyme | 1.14.11.- Histone demethylases | 2,680 | lysine demethylase 5A | 7,026 | PBIT | Synthetic organic | 79,350 | Inhibitor | Inhibition | false | 178,103,605 | false | 5.22 | pIC50 | 24,166 | Journal | J Biol Chem | Identification of small molecule inhibitors of Jumonji AT-rich interactive domain 1B (JARID1B) histone demethylase by a sensitive high throughput screen. | 23,408,432 | null | PMC3611010 |
|
869 | enzyme | 1.14.11.- Histone demethylases | 2,680 | lysine demethylase 5A | 10,141 | KDM5 inhibitor N71 | Synthetic organic | 85,718 | Inhibitor | Irreversible inhibition | false | 381,118,851 | true | 6.49 | pIC50 | 36,398 | Journal | J Med Chem | Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A. | 30,392,349 | null | PMC6467790 |
|
869 | enzyme | 1.14.11.- Histone demethylases | 2,680 | lysine demethylase 5A | 7,027 | GSK-J1 | Synthetic organic | 83,290 | Inhibitor | Inhibition | false | 178,103,606 | false | 5.17 | pIC50 | 30,418 | Journal | Nature | Inhibition of demethylases by GSK-J1/J4. | 25,279,926 | null | null |
|
869 | enzyme | 1.14.11.- Histone demethylases | 2,679 | lysine demethylase 4E | 9,584 | ML324 | Synthetic organic | 84,387 | Inhibitor | Inhibition | false | 340,590,215 | false | 6.04 | pIC50 | 33,194 | Journal | Probe Reports from the NIH Molecular Libraries Program | Discovery of ML324, a JMJD2 demethylase inhibitor with demonstrated antiviral activity | 24,260,783 | null | null |
|
869 | enzyme | 1.14.11.- Histone demethylases | 2,679 | lysine demethylase 4E | 8,744 | compound 6a [PMID: 18942826] | Synthetic organic | 82,695 | Inhibitor | Inhibition | false | 252,827,402 | false | 5.85 | pIC50 | 29,703 | Journal | J Med Chem | Inhibitor scaffolds for 2-oxoglutarate-dependent histone lysine demethylases. | 18,942,826 | null | null |
|
869 | enzyme | 1.14.11.- Histone demethylases | 2,677 | lysine demethylase 4C | 12,807 | zavondemstat | Synthetic organic | 89,917 | Inhibitor | Inhibition | false | 483,123,355 | false | null | pIC50 | 45,828 | Patent | null | Histone demethylase inhibitors | null | null | null |
|
869 | enzyme | 1.14.11.- Histone demethylases | 2,677 | lysine demethylase 4C | 8,230 | IOX1 | Synthetic organic | 81,841 | Inhibitor | Inhibition | false | 249,565,910 | false | 6.22 | pIC50 | 27,117 | Journal | ChemMedChem | A cell-permeable ester derivative of the JmjC histone demethylase inhibitor IOX1. | 24,504,543 | null | PMC4503230 |
|
869 | enzyme | 1.14.11.- Histone demethylases | 2,675 | lysine demethylase 4A | 9,584 | ML324 | Synthetic organic | 84,388 | Inhibitor | Inhibition | false | 340,590,215 | false | 6 | pIC50 | 33,194 | Journal | Probe Reports from the NIH Molecular Libraries Program | Discovery of ML324, a JMJD2 demethylase inhibitor with demonstrated antiviral activity | 24,260,783 | null | null |
|
869 | enzyme | 1.14.11.- Histone demethylases | 2,675 | lysine demethylase 4A | 10,141 | KDM5 inhibitor N71 | Synthetic organic | 85,720 | Inhibitor | Inhibition | false | 381,118,851 | false | 5.28 | pIC50 | 36,398 | Journal | J Med Chem | Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A. | 30,392,349 | null | PMC6467790 |
|
869 | enzyme | 1.14.11.- Histone demethylases | 2,675 | lysine demethylase 4A | 8,744 | compound 6a [PMID: 18942826] | Synthetic organic | 82,694 | Inhibitor | Inhibition | false | 252,827,402 | false | 6.15 | pIC50 | 29,703 | Journal | J Med Chem | Inhibitor scaffolds for 2-oxoglutarate-dependent histone lysine demethylases. | 18,942,826 | null | null |
|
923 | enzyme | 1.14.13.9 Kynurenine 3-monooxygenase | 2,886 | kynurenine 3-monooxygenase | 10,358 | GSK065 | Synthetic organic | 86,320 | Inhibitor | Inhibition | false | 384,403,639 | false | 10.3 | pKi | 37,581 | Journal | Nat Commun | Structural and mechanistic basis of differentiated inhibitors of the acute pancreatitis target kynurenine-3-monooxygenase. | 28,604,669 | PMC5477544 |
||
923 | enzyme | 1.14.13.9 Kynurenine 3-monooxygenase | 2,886 | kynurenine 3-monooxygenase | 10,358 | GSK065 | Synthetic organic | 86,319 | Inhibitor | Inhibition | false | 384,403,639 | false | 8.6 | pIC50 | 37,581 | Journal | Nat Commun | Structural and mechanistic basis of differentiated inhibitors of the acute pancreatitis target kynurenine-3-monooxygenase. | 28,604,669 | PMC5477544 |
||
923 | enzyme | 1.14.13.9 Kynurenine 3-monooxygenase | 2,886 | kynurenine 3-monooxygenase | 9,007 | GSK180 | Synthetic organic | 83,368 | Inhibitor | Inhibition | false | 310,264,785 | true | 8.2 | pIC50 | 30,503 | Journal | Nat Med | Kynurenine-3-monooxygenase inhibition prevents multiple organ failure in rodent models of acute pancreatitis. | 26,752,518 | null | PMC4871268 |
|
877 | enzyme | 1.17.4.1 Ribonucleoside-diphosphate reductases | 2,630 | ribonucleotide reductase catalytic subunit M1 | 6,802 | clofarabine | Synthetic organic | 78,910 | Inhibitor | Inhibition | true | FDA (2004), EMA (2009) | 178,103,408 | false | 8.3 | pIC50 | 23,352 | Journal | Cancer Res | Effects of 2-chloro-9-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)adenine on K562 cellular metabolism and the inhibition of human ribonucleotide reductase and DNA polymerases by its 5'-triphosphate. | 1,707,752 | null | null |
877 | enzyme | 1.17.4.1 Ribonucleoside-diphosphate reductases | 2,630 | ribonucleotide reductase catalytic subunit M1 | 4,802 | fludarabine | Synthetic organic | 78,912 | Inhibitor | Inhibition | true | FDA (1991) | 178,101,504 | true | 6 | pIC50 | 23,353 | Journal | Mol Pharmacol | In vitro biological activity of 9-beta-D-arabinofuranosyl-2-fluoroadenine and the biochemical actions of its triphosphate on DNA polymerases and ribonucleotide reductase from HeLa cells. | 7,048,062 | null | null |
877 | enzyme | 1.17.4.1 Ribonucleoside-diphosphate reductases | 2,630 | ribonucleotide reductase catalytic subunit M1 | 4,793 | gemcitabine | Synthetic organic | 78,905 | Inhibitor | Inhibition | true | FDA (1996) | 178,101,495 | true | null | - | 23,348 | Journal | Mol Pharmacol | Inhibition of ribonucleotide reduction in CCRF-CEM cells by 2',2'-difluorodeoxycytidine. | 2,233,693 | null | null |
877 | enzyme | 1.17.4.1 Ribonucleoside-diphosphate reductases | 2,630 | ribonucleotide reductase catalytic subunit M1 | 6,822 | hydroxyurea | Synthetic organic | 78,907 | Inhibitor | Inhibition | true | FDA (1967), EMA (2007) | 178,103,428 | true | 3.83 | pIC50 | 23,349 | Journal | Biochem Pharmacol | Determination of the potency and subunit-selectivity of ribonucleotide reductase inhibitors with a recombinant-holoenzyme-based in vitro assay. | 15,670,581 | null | null |
877 | enzyme | 1.17.4.1 Ribonucleoside-diphosphate reductases | 2,630 | ribonucleotide reductase catalytic subunit M1 | 12,113 | TAS1553 | Synthetic organic | 88,838 | Inhibitor | Binding | false | 472,319,235 | false | 7.46 | pKd | 43,979 | Journal | Commun Biol | TAS1553, a small molecule subunit interaction inhibitor of ribonucleotide reductase, exhibits antitumor activity by causing DNA replication stress. | 35,681,099 | null |
||
877 | enzyme | 1.17.4.1 Ribonucleoside-diphosphate reductases | 2,631 | ribonucleotide reductase regulatory subunit M2 | 6,802 | clofarabine | Synthetic organic | 78,911 | Inhibitor | Inhibition | true | FDA (2004), EMA (2009) | 178,103,408 | true | 8.3 | pIC50 | 23,352 | Journal | Cancer Res | Effects of 2-chloro-9-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)adenine on K562 cellular metabolism and the inhibition of human ribonucleotide reductase and DNA polymerases by its 5'-triphosphate. | 1,707,752 | null | null |
877 | enzyme | 1.17.4.1 Ribonucleoside-diphosphate reductases | 2,631 | ribonucleotide reductase regulatory subunit M2 | 4,802 | fludarabine | Synthetic organic | 78,913 | Inhibitor | Inhibition | true | FDA (1991) | 178,101,504 | true | 6 | pIC50 | 23,353 | Journal | Mol Pharmacol | In vitro biological activity of 9-beta-D-arabinofuranosyl-2-fluoroadenine and the biochemical actions of its triphosphate on DNA polymerases and ribonucleotide reductase from HeLa cells. | 7,048,062 | null | null |
877 | enzyme | 1.17.4.1 Ribonucleoside-diphosphate reductases | 2,631 | ribonucleotide reductase regulatory subunit M2 | 4,793 | gemcitabine | Synthetic organic | 78,906 | Inhibitor | Inhibition | true | FDA (1996) | 178,101,495 | true | null | - | 23,348 | Journal | Mol Pharmacol | Inhibition of ribonucleotide reduction in CCRF-CEM cells by 2',2'-difluorodeoxycytidine. | 2,233,693 | null | null |
877 | enzyme | 1.17.4.1 Ribonucleoside-diphosphate reductases | 2,631 | ribonucleotide reductase regulatory subunit M2 | 6,822 | hydroxyurea | Synthetic organic | 78,908 | Inhibitor | Inhibition | true | FDA (1967), EMA (2007) | 178,103,428 | true | 3.83 | pIC50 | 23,349 | Journal | Biochem Pharmacol | Determination of the potency and subunit-selectivity of ribonucleotide reductase inhibitors with a recombinant-holoenzyme-based in vitro assay. | 15,670,581 | null | null |
1,068 | enzyme | 1.2.3.1 Aldehyde oxidase | 3,186 | aldehyde oxidase 1 | 2,820 | raloxifene | Synthetic organic | 89,776 | Inhibitor | Inhibition | true | FDA (1997), EMA (1998) | 135,650,883 | false | 7.35 | pIC50 | 45,530 | Patent | null | Therapeutic agent for nonalcoholic fatty liver disease | null | null | null |
912 | enzyme | 1.4.3.13 Lysyl oxidases | 3,097 | lysyl oxidase | 10,485 | CCT365623 | Synthetic organic | 86,766 | Inhibitor | Inhibition | false | 385,612,244 | false | 6.05 | pIC50 | 38,259 | Journal | J Med Chem | Anti-metastatic Inhibitors of Lysyl Oxidase (LOX): Design and Structure-Activity Relationships. | 31,070,916 | null |
||
912 | enzyme | 1.4.3.13 Lysyl oxidases | 3,097 | lysyl oxidase | 10,486 | compound 21b [PMID: 31430136] | Synthetic organic | 86,767 | Inhibitor | Inhibition | false | 385,612,245 | false | 5.48 | pIC50 | 38,256 | Journal | J Med Chem | 2-Aminomethylene-5-sulfonylthiazole Inhibitors of Lysyl Oxidase (LOX) and LOXL2 Show Significant Efficacy in Delaying Tumor Growth. | 31,430,136 | null | PMC7073924 |
|
912 | enzyme | 1.4.3.13 Lysyl oxidases | 2,853 | lysyl oxidase like 2 | 10,485 | CCT365623 | Synthetic organic | 86,768 | Inhibitor | Inhibition | false | 385,612,244 | false | 5.82 | pIC50 | 38,259 | Journal | J Med Chem | Anti-metastatic Inhibitors of Lysyl Oxidase (LOX): Design and Structure-Activity Relationships. | 31,070,916 | null |
||
912 | enzyme | 1.4.3.13 Lysyl oxidases | 2,853 | lysyl oxidase like 2 | 10,486 | compound 21b [PMID: 31430136] | Synthetic organic | 86,769 | Inhibitor | Inhibition | false | 385,612,245 | true | 6.82 | pIC50 | 38,256 | Journal | J Med Chem | 2-Aminomethylene-5-sulfonylthiazole Inhibitors of Lysyl Oxidase (LOX) and LOXL2 Show Significant Efficacy in Delaying Tumor Growth. | 31,430,136 | null | PMC7073924 |
|
912 | enzyme | 1.4.3.13 Lysyl oxidases | 2,853 | lysyl oxidase like 2 | 8,412 | simtuzumab | Antibody | 82,117 | Inhibitor | Inhibition | false | 252,166,622 | true | 7.17 | pKi | 27,880 | Patent | null | LOX and LOXL2 inhibitors and uses thereof. | null | null | null |
|
84 | nhr | 1A. Thyroid hormone receptors | 588 | Thyroid hormone receptor-α | 2,639 | sobetirome | Synthetic organic | 6,262 | Agonist | Agonist | false | 135,650,297 | null | 9.36 | pKd | 10,040 | Journal | Mol Endocrinol | Binding of 3,5,3'-triiodothyronine (T3) and its analogs to the in vitro translational products of c-erbA protooncogenes: differences in the affinity of the alpha- and beta-forms for the acetic acid analog and failure of the human testis and kidney alpha-2 products to bind T3. | 2,158,622 | null | null |
|
84 | nhr | 1A. Thyroid hormone receptors | 588 | Thyroid hormone receptor-α | 2,636 | rT<sub>3</sub> | Synthetic organic | 6,260 | Agonist | Agonist | false | 135,650,897 | null | null | pIC50 | 10,040 | Journal | Mol Endocrinol | Binding of 3,5,3'-triiodothyronine (T3) and its analogs to the in vitro translational products of c-erbA protooncogenes: differences in the affinity of the alpha- and beta-forms for the acetic acid analog and failure of the human testis and kidney alpha-2 products to bind T3. | 2,158,622 | null | null |
|
84 | nhr | 1A. Thyroid hormone receptors | 588 | Thyroid hormone receptor-α | 12,026 | resmetirom | Synthetic organic | 88,707 | Agonist | Agonist | true | FDA (2024) | 464,244,167 | false | 5.43 | pEC50 | 43,758 | Journal | J Med Chem | Discovery of 2-[3,5-dichloro-4-(5-isopropyl-6-oxo-1,6-dihydropyridazin-3-yloxy)phenyl]-3,5-dioxo-2,3,4,5-tetrahydro[1,2,4]triazine-6-carbonitrile (MGL-3196), a Highly Selective Thyroid Hormone Receptor β agonist in clinical trials for the treatment of dyslipidemia. | 24,712,661 | null |
|
84 | nhr | 1A. Thyroid hormone receptors | 588 | Thyroid hormone receptor-α | 2,633 | NH-3 | Synthetic organic | 6,257 | Antagonist | Antagonist | false | 135,650,713 | null | 7.62 | pKd | 10,041 | Journal | J Med Chem | Rational design and synthesis of a novel thyroid hormone antagonist that blocks coactivator recruitment. | 12,109,914 | null | null |
|
84 | nhr | 1A. Thyroid hormone receptors | 588 | Thyroid hormone receptor-α | 2,638 | KB-141 | Synthetic organic | 6,263 | Agonist | Agonist | false | 135,650,452 | null | 7.6 | pIC50 | 10,066 | Journal | J Med Chem | Thyroid receptor ligands. 1. Agonist ligands selective for the thyroid receptor beta1. | 12,699,376 | null | null |
|
84 | nhr | 1A. Thyroid hormone receptors | 588 | Thyroid hormone receptor-α | 6,951 | dextrothyroxine | Synthetic organic | 79,001 | Agonist | Agonist | true | FDA (1967) | 178,103,533 | true | null | - | 23,507 | Journal | J Clin Endocrinol Metab | Effects of dextrothyroxine on the pituitary-thyroid axis in hypercholesterolemic children and goitrous adults. | 6,777,394 | null | null |