dwb2023/gtopdb-target-family-interaction-detail huggingface dataset:
Target family: 1.-.-.- Oxidoreductases (type: enzyme)
Target: steroid 5 alpha-reductase 2

Ligand: finasteride (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: yes
Approval source: FDA (1992)
Primary target: yes
Median affinity: 7.840000152587891 pIC50
Reference (Journal): Azasteroids: structure-activity relationships for inhibition of 5 alpha-reductase and of androgen receptor binding.
Published in: J Med Chem
Target family: 1.-.-.- Oxidoreductases (type: enzyme)
Target: sepiapterin reductase

Ligand: SPRi3 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.960000038146973 pIC50
Reference (Patent): Sepiapterin reductase inhibitors for the treatment of pain
Target family: 1.-.-.- Oxidoreductases (type: enzyme)
Target: myeloperoxidase

Ligand: verdiperstat (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: yes
Median affinity: 6.199999809265137 pIC50
Reference (Webpage): AZD3241

Ligand: PF-06282999 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: yes
Median affinity: 6.5 pKi
Reference (Journal): Discovery of 2-(6-(5-Chloro-2-methoxyphenyl)-4-oxo-2-thioxo-3,4-dihydropyrimidin-1(2H)-yl)acetamide (PF-06282999): A Highly Selective Mechanism-Based Myeloperoxidase Inhibitor for the Treatment of Cardiovascular Diseases.
Published in: J Med Chem

Ligand: mitiperstat (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 9.149999618530273 pIC50
Reference (Journal): Safety, tolerability, pharmacokinetics and effect on serum uric acid of the myeloperoxidase inhibitor AZD4831 in a randomized, placebo-controlled, phase I study in healthy volunteers.
Published in: Br J Clin Pharmacol

Ligand: mitiperstat (Synthetic organic)
Interaction type: Inhibitor
Action: Irreversible inhibition
Ligand approved: no
Primary target: no
Median affinity: 8.819999694824219 pIC50
Reference (Journal): Discovery of AZD4831, a Mechanism-Based Irreversible Inhibitor of Myeloperoxidase, As a Potential Treatment for Heart Failure with Preserved Ejection Fraction.
Published in: J Med Chem

Ligand: compound 28 [PMID: 28671460] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.360000133514404 pIC50
Reference (Journal): Discovery of Novel Potent Reversible and Irreversible Myeloperoxidase Inhibitors Using Virtual Screening Procedure.
Published in: J Med Chem

Ligand: AZD5904 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: yes
Median affinity: 6.699999809265137 pIC50
Reference (Journal): 2-thioxanthines are mechanism-based inactivators of myeloperoxidase that block oxidative stress during inflammation.
Published in: J Biol Chem

Ligand: aminopyridine 2 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: yes
Median affinity: 6.800000190734863 pIC50
Reference (Journal): Discovery of 1-((6-Aminopyridin-3-yl)Methyl)-3-(4-Bromophenyl)Urea as a Potent, Irreversible Myeloperoxidase Inhibitor.
Published in: J Pharmacol Exp Ther
Target family: 1.-.-.- Oxidoreductases (type: enzyme)
Target: inosine monophosphate dehydrogenase 2

Ligand: thioguanine (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: yes
Approval source: FDA (1966)
Primary target: yes
Median affinity:  -
Reference (Journal): Thioguanine, mercaptopurine: their analogs and nucleosides as antimetabolites.
Published in: Curr Pharm Des

Ligand: thioguanine (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: yes
Approval source: FDA (1966)
Primary target: yes
Median affinity:  -
Reference (Journal): IMP dehydrogenase basal activity in MOLT-4 human leukaemia cells is altered by mycophenolic acid and 6-thioguanosine.
Published in: Scand J Clin Lab Invest

Ligand: ribavirin (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: yes
Approval source: FDA (1985), EMA (1999)
Primary target: yes
Median affinity:  pIC50
Reference (Journal): Novel 1,2,4-triazole and imidazole derivatives of L-ascorbic and imino-ascorbic acid: synthesis, anti-HCV and antitumor activity evaluations.
Published in: Bioorg Med Chem

Ligand: mycophenolic acid (Natural product)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: yes
Approval source: FDA (2009)
Primary target: yes
Median affinity: 7.699999809265137 pIC50
Reference (Journal): Synthesis and immunosuppressive activity of some side-chain variants of mycophenolic acid.
Published in: J Med Chem

Ligand: mycophenolate mofetil (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: yes
Approval source: FDA (1995), EMA (1996)
Primary target: yes
Median affinity:  -

Ligand: merimepodib (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 8 pIC50
Reference (Journal): Discovery of N-[2-[2-[[3-methoxy-4-(5-oxazolyl)phenyl]amino]-5-oxazolyl]phenyl]-N-methyl-4- morpholineacetamide as a novel and potent inhibitor of inosine monophosphate dehydrogenase with excellent in vivo activity.
Published in: J Med Chem
Target family: 1.-.-.- Oxidoreductases (type: enzyme)
Target: inosine monophosphate dehydrogenase 1

Ligand: thioguanine (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: yes
Approval source: FDA (1966)
Primary target: yes
Median affinity:  -
Reference (Journal): Thioguanine, mercaptopurine: their analogs and nucleosides as antimetabolites.
Published in: Curr Pharm Des

Ligand: thioguanine (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: yes
Approval source: FDA (1966)
Primary target: yes
Median affinity:  -
Reference (Journal): IMP dehydrogenase basal activity in MOLT-4 human leukaemia cells is altered by mycophenolic acid and 6-thioguanosine.
Published in: Scand J Clin Lab Invest

Ligand: ribavirin (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: yes
Approval source: FDA (1985), EMA (1999)
Primary target: yes
Median affinity:  pIC50
Reference (Journal): Novel 1,2,4-triazole and imidazole derivatives of L-ascorbic and imino-ascorbic acid: synthesis, anti-HCV and antitumor activity evaluations.
Published in: Bioorg Med Chem

Ligand: mycophenolic acid (Natural product)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: yes
Approval source: FDA (2009)
Primary target: yes
Median affinity: 7.699999809265137 pIC50
Reference (Journal): Synthesis and immunosuppressive activity of some side-chain variants of mycophenolic acid.
Published in: J Med Chem

Ligand: mycophenolate mofetil (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: yes
Approval source: FDA (1995), EMA (1996)
Primary target: yes
Median affinity:  -
Target family: 1.-.-.- Oxidoreductases (type: enzyme)
Target: hydroxysteroid 17-beta dehydrogenase 2

Ligand: compound 24 [PMID: 31343176] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 8 pIC50
Reference (Journal): Design, Synthesis, and Biological Characterization of Orally Active 17β-Hydroxysteroid Dehydrogenase Type 2 Inhibitors Targeting the Prevention of Osteoporosis.
Published in: J Med Chem

Ligand: compound 24 [PMID: 31343176] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 8.210000038146973 pIC50
Reference (Journal): Design, Synthesis, and Biological Characterization of Orally Active 17β-Hydroxysteroid Dehydrogenase Type 2 Inhibitors Targeting the Prevention of Osteoporosis.
Published in: J Med Chem

Ligand: compound 24 [PMID: 31343176] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.659999847412109 pIC50
Reference (Journal): Design, Synthesis, and Biological Characterization of Orally Active 17β-Hydroxysteroid Dehydrogenase Type 2 Inhibitors Targeting the Prevention of Osteoporosis.
Published in: J Med Chem
Target family: 1.-.-.- Oxidoreductases (type: enzyme)
Target: hydroxysteroid 17-beta dehydrogenase 13

Ligand: BI-3231 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity:  -
Reference (Journal): Discovery of a Novel Potent and Selective HSD17B13 Inhibitor, BI-3231, a Well-Characterized Chemical Probe Available for Open Science.
Published in: J Med Chem
Target family: 1.-.-.- Oxidoreductases (type: enzyme)
Target: hydroxysteroid 11-beta dehydrogenase 2

Ligand: enoxolone (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 8.920000076293945 pIC50
Reference (Journal): Hupehenols A-E, selective 11β-hydroxysteroid dehydrogenase type 1 (11β-HSD1) inhibitors from Viburnum hupehense.
Published in: J Nat Prod

Ligand: enoxolone (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 6.440000057220459 pIC50
Reference (Journal): Synthesis of glycyrrhetinic acid derivatives for the treatment of metabolic diseases.
Published in: Bioorg Med Chem
Target family: 1.-.-.- Oxidoreductases (type: enzyme)
Target: hydroxysteroid 11-beta dehydrogenase 1

Ligand: UE2343 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.619999885559082 pIC50
Reference (Journal): Selection and early clinical evaluation of the brain-penetrant 11β-hydroxysteroid dehydrogenase type 1 (11β-HSD1) inhibitor UE2343 (Xanamem™).
Published in: Br J Pharmacol

Ligand: INCB13739 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 8.489999771118164 pIC50
Reference (Journal): Discovery of 1'-(1-phenylcyclopropane-carbonyl)-3H-spiro[isobenzofuran-1,3'-pyrrolidin]-3-one as a novel steroid mimetic scaffold for the potent and tissue-specific inhibition of 11β-HSD1 using a scaffold-hopping approach.
Published in: Bioorg Med Chem Lett

Ligand: enoxolone (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.539999961853027 pIC50
Reference (Journal): Hupehenols A-E, selective 11β-hydroxysteroid dehydrogenase type 1 (11β-HSD1) inhibitors from Viburnum hupehense.
Published in: J Nat Prod

Ligand: enoxolone (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.050000190734863 pIC50
Reference (Journal): Synthesis of glycyrrhetinic acid derivatives for the treatment of metabolic diseases.
Published in: Bioorg Med Chem

Ligand: enoxolone (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.889999866485596 pIC50
Reference (Journal): Structure-based virtual screening for identification of novel 11beta-HSD1 inhibitors.
Published in: Eur J Med Chem

Ligand: BMS-823778 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: yes
Median affinity: 8.640000343322754 pIC50
Reference (Journal): Discovery of Clinical Candidate BMS-823778 as an Inhibitor of Human 11β-Hydroxysteroid Dehydrogenase Type 1 (11β-HSD-1).
Published in: ACS Med Chem Lett

Ligand: AZD8329 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: yes
Median affinity: 8.050000190734863 pIC50
Reference (Webpage): AZD8329.

Ligand: AZD4017 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: yes
Median affinity: 8.699999809265137 pIC50
Reference (Journal): Discovery of a potent, selective, and orally bioavailable acidic 11β-hydroxysteroid dehydrogenase type 1 (11β-HSD1) inhibitor: discovery of 2-[(3S)-1-[5-(cyclohexylcarbamoyl)-6-propylsulfanylpyridin-2-yl]-3-piperidyl]acetic acid (AZD4017).
Published in: J Med Chem

Ligand: ABT-384 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: yes
Median affinity: 8.050000190734863 pKi
Reference (Journal): Adamantane 11-beta-HSD-1 inhibitors: Application of an isocyanide multicomponent reaction.
Published in: Bioorg Med Chem Lett
Target family: 1.-.-.- Oxidoreductases (type: enzyme)
Target: hydroxy-delta-5-steroid dehydrogenase, 3 beta- and steroid delta-isomerase 2

Ligand: trilostane (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: yes
Approval source: FDA (date of approval not specified)
Primary target: yes
Median affinity: 8.399999618530273 pIC50
Reference (Journal): Inhibition of human placental progesterone synthesis and aromatase activity by synthetic steroidogenic inhibitors in vitro.
Published in: Fertil Steril
Target family: 1.-.-.- Oxidoreductases (type: enzyme)
Target: glutathione-disulfide reductase

Ligand: oxiglutatione (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: yes
Approval source: FDA (2008)-see Comment
Primary target: yes
Median affinity:  -

Ligand: carmustine (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: yes
Approval source: FDA (1977), EMA (2003)
Primary target: yes
Median affinity: 4.150000095367432 pIC50
Reference (Journal): Profiling patterns of glutathione reductase inhibition by the natural product illudin S and its acylfulvene analogues.
Published in: Mol Biosyst
Target family: 1.-.-.- Oxidoreductases (type: enzyme)
Target: 4-hydroxyphenylpyruvate dioxygenase

Ligand: nitisinone (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: yes
Approval source: FDA (2002), EMA (2005)
Primary target: yes
Median affinity: 7.400000095367432 pIC50
Reference (Journal): SAR studies of 2-o-substituted-benzoyl- and 2-alkanoyl-cyclohexane-1,3-diones as inhibitors of 4-hydroxyphenylpyruvate dioxygenase.
Published in: Bioorg Med Chem Lett
Target family: 1.-.-.- Oxidoreductases (type: enzyme)
Target: aldehyde dehydrogenase 2 family member

Ligand: disulfiram (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: yes
Approval source: FDA (1951)
Primary target: no
Median affinity: 4.440000057220459 pIC50
Reference (Journal): Role of disulfiram in the in vitro inhibition of rat liver mitochondrial aldehyde dehydrogenase.
Published in: Biochem Pharmacol

Ligand: prunetin (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 6.349999904632568 pKi
Reference (Journal): Structure of daidzin, a naturally occurring anti-alcohol-addiction agent, in complex with human mitochondrial aldehyde dehydrogenase.
Published in: J Med Chem
Target family: 1.-.-.- Oxidoreductases (type: enzyme)
Target: aldo-keto reductase family 1 member B

Ligand: AK198 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 8.890000343322754 pIC50
Reference (Journal): The Effect of Halogen-to-Hydrogen Bond Substitution on Human Aldose Reductase Inhibition.
Published in: ACS Chem Biol

Ligand: govorestat (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 10 pIC50
Reference (Journal): Sorbitol reduction via govorestat ameliorates synaptic dysfunction and neurodegeneration in sorbitol dehydrogenase deficiency.
Published in: JCI Insight

Ligand: lidorestat (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 8.300000190734863 pIC50
Reference (Journal): Discovery of 3-[(4,5,7-trifluorobenzothiazol-2-yl)methyl]indole-N-acetic acid (lidorestat) and congeners as highly potent and selective inhibitors of aldose reductase for treatment of chronic diabetic complications.
Published in: J Med Chem

Ligand: sorbinil (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 5.269999980926514 pIC50
Reference (Journal): A potent aldose reductase inhibitor, (2S,4S)-6-fluoro-2', 5'-dioxospiro[chroman-4,4'-imidazolidine]-2-carboxamide (Fidarestat): its absolute configuration and interactions with the aldose reductase by X-ray crystallography.
Published in: J Med Chem

Ligand: tolrestat (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: yes
Primary target: yes
Median affinity: 7.329999923706055 pIC50
Reference (Journal): Molecular modeling of the aldose reductase-inhibitor complex based on the X-ray crystal structure and studies with single-site-directed mutants.
Published in: J Med Chem

Ligand: zenarestat (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 5 pIC50
Reference (Journal): Discovery of 3-[(4,5,7-trifluorobenzothiazol-2-yl)methyl]indole-N-acetic acid (lidorestat) and congeners as highly potent and selective inhibitors of aldose reductase for treatment of chronic diabetic complications.
Published in: J Med Chem

Ligand: zopolrestat (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 4.409999847412109 pIC50
Reference (Journal): Discovery of 3-[(4,5,7-trifluorobenzothiazol-2-yl)methyl]indole-N-acetic acid (lidorestat) and congeners as highly potent and selective inhibitors of aldose reductase for treatment of chronic diabetic complications.
Published in: J Med Chem
Target family: 1.-.-.- Oxidoreductases (type: enzyme)
Target: amine oxidase copper containing 3

Ligand: mofegiline (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.739999771118164 pIC50
Reference (Journal): PXS-4681A, a potent and selective mechanism-based inhibitor of SSAO/VAP-1 with anti-inflammatory effects in vivo.
Published in: J Pharmacol Exp Ther

Ligand: phenelzine (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: yes
Approval source: FDA (1961)
Primary target: no
Median affinity: 7.699999809265137 pIC50
Reference (Journal): Synthesis, in vitro activity, and three-dimensional quantitative structure-activity relationship of novel hydrazine inhibitors of human vascular adhesion protein-1.
Published in: J Med Chem

Ligand: PXS-4681A (Synthetic organic)
Interaction type: Inhibitor
Action: Irreversible inhibition
Ligand approved: no
Primary target: yes
Median affinity: 7.429999828338623 pKi
Reference (Journal): PXS-4681A, a potent and selective mechanism-based inhibitor of SSAO/VAP-1 with anti-inflammatory effects in vivo.
Published in: J Pharmacol Exp Ther

Ligand: PXS-4681A (Synthetic organic)
Interaction type: Inhibitor
Action: Irreversible inhibition
Ligand approved: no
Primary target: yes
Median affinity: 8.520000457763672 pIC50
Reference (Journal): PXS-4681A, a potent and selective mechanism-based inhibitor of SSAO/VAP-1 with anti-inflammatory effects in vivo.
Published in: J Pharmacol Exp Ther

Ligand: PXS-4728A (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: yes
Median affinity: 8.300000190734863 pIC50
Reference (Journal): Effects of an anti-inflammatory VAP-1/SSAO inhibitor, PXS-4728A, on pulmonary neutrophil migration.
Published in: Respir Res
Target family: 1.-.-.- Oxidoreductases (type: enzyme)
Target: catalase

Ligand: tectorigenin (Synthetic organic)
Interaction type: Activator
Action: Activation
Ligand approved: no
Primary target: no
Median affinity:  -
Reference (Journal): Protective Effect of an Isoflavone, Tectorigenin, Against Oxidative Stress-induced Cell Death via Catalase Activation.
Published in: J Cancer Prev
Target family: 1.-.-.- Oxidoreductases (type: enzyme)
Target: dihydrofolate reductase

Ligand: compound 9 [PMID: 15615544] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 10.470000267028809 pKi
Reference (Journal): Synthesis and in vitro antifolate activity of rotationally restricted aminopterin and methotrexate analogues.
Published in: J Med Chem

Ligand: diflunisal (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: yes
Approval source: FDA (1982)
Primary target: no
Median affinity: 4.46999979019165 pKi
Reference (Journal): The Structural Basis for Nonsteroidal Anti-Inflammatory Drug Inhibition of Human Dihydrofolate Reductase
Published in: Journal of Medicinal Chemistry

Ligand: iclaprim (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 6.110000133514404 pKi

Ligand: methotrexate (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: yes
Approval source: FDA (1953), EMA (2016)
Primary target: yes
Median affinity: 8.920000076293945 pKi
Reference (Journal): 2,4-Diamino-5-substituted-quinazolines as inhibitors of a human dihydrofolate reductase with a site-directed mutation at position 22 and of the dihydrofolate reductases from Pneumocystis carinii and Toxoplasma gondii.
Published in: J Med Chem

Ligand: pemetrexed (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: yes
Approval source: FDA (2004), EMA (2009)
Primary target: yes
Median affinity: 8.149999618530273 pKi
Reference (Journal): Multiple folate enzyme inhibition: mechanism of a novel pyrrolopyrimidine-based antifolate LY231514 (MTA).
Published in: Adv Enzyme Regul

Ligand: pemetrexed (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: yes
Approval source: FDA (2004), EMA (2009)
Primary target: yes
Median affinity: 8.149999618530273 pKi
Reference (Journal): Synthesis of classical, four-carbon bridged 5-substituted furo[2,3-d]pyrimidine and 6-substituted pyrrolo[2,3-d]pyrimidine analogues as antifolates.
Published in: J Med Chem

Ligand: pralatrexate (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: yes
Approval source: FDA (2009)
Primary target: yes
Median affinity: 7.349999904632568 pKi
Reference (Journal): Distinct mechanistic activity profile of pralatrexate in comparison to other antifolates in in vitro and in vivo models of human cancers.
Published in: Cancer Chemother Pharmacol

Ligand: trimetrexate (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: yes
Approval source: FDA (1993)
Primary target: no
Median affinity: 7.889999866485596 pKi
Reference (Journal): 2,4-Diamino-5-substituted-quinazolines as inhibitors of a human dihydrofolate reductase with a site-directed mutation at position 22 and of the dihydrofolate reductases from Pneumocystis carinii and Toxoplasma gondii.
Published in: J Med Chem