dwb2023/gtopdb-target-family-interaction-detail huggingface dataset:
Target family: CYP2 family: drug metabolising subset (type: enzyme)
Target: CYP2C8

Ligand: compound 51 [Crosignani et al., 2011] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.369999885559082 pIC50
Reference (Journal): Discovery of a Novel Series of CRTH2 (DP2) Receptor Antagonists Devoid of Carboxylic Acids.
Published in: ACS Med Chem Lett

Ligand: phenelzine (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: yes
Approval source: FDA (1961)
Primary target: no
Median affinity: 5.139999866485596 pKi
Reference (Journal): Cytochrome p450 enzymes mechanism based inhibitors: common sub-structures and reactivity.
Published in: Curr Drug Metab

Ligand: voxelotor (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: yes
Approval source: FDA (2019), EMA (2022)
Primary target: no
Median affinity: 5.099999904632568 pIC50
Reference (Journal): Discovery of GBT440, an Orally Bioavailable R-State Stabilizer of Sickle Cell Hemoglobin.
Published in: ACS Med Chem Lett
Target family: CYP2 family: drug metabolising subset (type: enzyme)
Target: CYP2C9

Ligand: compound 3 [PMID: 18255300] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 8.380000114440918 pKi
Reference (Journal): Modeling and synthesis of novel tight-binding inhibitors of cytochrome P450 2C9.
Published in: Bioorg Med Chem

Ligand: compound 51 [Crosignani et al., 2011] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 6.699999809265137 pIC50
Reference (Journal): Discovery of a Novel Series of CRTH2 (DP2) Receptor Antagonists Devoid of Carboxylic Acids.
Published in: ACS Med Chem Lett

Ligand: noscapine (Natural product)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity:  -

Ligand: sulfaphenazole (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 6.519999980926514 pKi
Reference (Journal): Tolbutamide hydroxylation by human liver microsomes. Kinetic characterisation and relationship to other cytochrome P-450 dependent xenobiotic oxidations.
Published in: Biochem Pharmacol

Ligand: sulfaphenazole (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 6.519999980926514 pKi
Reference (Journal): Cytochrome P450 isoform inhibitors as a tool for the investigation of metabolic reactions catalyzed by human liver microsomes.
Published in: J Pharmacol Exp Ther

Ligand: voxelotor (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: yes
Approval source: FDA (2019), EMA (2022)
Primary target: no
Median affinity: 5.070000171661377 pIC50
Reference (Journal): Discovery of GBT440, an Orally Bioavailable R-State Stabilizer of Sickle Cell Hemoglobin.
Published in: ACS Med Chem Lett
Target family: CYP2 family: drug metabolising subset (type: enzyme)
Target: CYP2D6

Ligand: ajmalicine (Natural product)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: yes
Primary target: no
Median affinity: 8.479999542236328 pKi
Reference (Journal): Development of a pharmacophore for inhibition of human liver cytochrome P-450 2D6: molecular modeling and inhibition studies.
Published in: J Med Chem

Ligand: berberine (Natural product)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 5.400000095367432 pIC50
Reference (Journal): Quasi-Irreversible Inhibition of CYP2D6 by Berberine.
Published in: Pharmaceutics

Ligand: compound 46c [PMID: 29350534] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 5.579999923706055 pIC50
Reference (Journal): Discovery of Tetrahydroisoquinoline-Containing CXCR4 Antagonists with Improved in Vitro ADMET Properties.
Published in: J Med Chem

Ligand: TIQ-15 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 6.489999771118164 pIC50
Reference (Journal): Discovery of Tetrahydroisoquinoline-Containing CXCR4 Antagonists with Improved in Vitro ADMET Properties.
Published in: J Med Chem
Target family: CYP2 family: drug metabolising subset (type: enzyme)
Target: CYP2E1

Ligand: 12-Imidazolyl-1-dodecanol (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 6.199999809265137 pKi
Reference (Journal): Drug targeting CYP2E1 for the treatment of early-stage alcoholic steatohepatitis.
Published in: PLoS One

Ligand: compound 23 [PMID: 17125252] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.400000095367432 pKi
Reference (Journal): Synthetic inhibitors of cytochrome P-450 2A6: inhibitory activity, difference spectra, mechanism of inhibition, and protein cocrystallization.
Published in: J Med Chem
Target family: CYP2 family: drug metabolising subset (type: enzyme)
Target: CYP2J2

Ligand: compound 4 [PMID: 16495056] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 6.800000190734863 pIC50
Reference (Journal): Design and synthesis of selective, high-affinity inhibitors of human cytochrome P450 2J2.
Published in: Bioorg Med Chem Lett

Ligand: terfenadine (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: yes
Approval source: FDA
Primary target: no
Median affinity: 5.090000152587891 pIC50
Reference (Journal): Design and synthesis of selective, high-affinity inhibitors of human cytochrome P450 2J2.
Published in: Bioorg Med Chem Lett
Target family: CYP39, CYP46 and CYP51 families (type: enzyme)
Target: CYP46A1

Ligand: soticlestat (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 8.350000381469727 pIC50
Reference (Journal): Soticlestat, a novel cholesterol 24-hydroxylase inhibitor shows a therapeutic potential for neural hyperexcitation in mice.
Published in: Sci Rep
Target family: CYP39, CYP46 and CYP51 families (type: enzyme)
Target: CYP51A1

Ligand: azalanstat (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: yes
Median affinity: 9.100000381469727 pKi
Reference (Journal): Selective inhibition of mammalian lanosterol 14 alpha-demethylase: a possible strategy for cholesterol lowering.
Published in: J Med Chem

Ligand: compound 10 [PMID: 31663733] (Synthetic organic)
Interaction type: Inhibitor
Action: Irreversible inhibition
Ligand approved: no
Primary target: no
Median affinity: 6 pIC50
Reference (Journal): Validation of Human Sterol 14α-Demethylase (CYP51) Druggability: Structure-Guided Design, Synthesis, and Evaluation of Stoichiometric, Functionally Irreversible Inhibitors.
Published in: J Med Chem
Target family: CYP3 family (type: enzyme)
Target: CYP3A5

Ligand: ritonavir (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: yes
Approval source: EMA & FDA (1996)
Primary target: no
Median affinity: 6.920000076293945 pKi
Reference (Journal): Cytochrome p450 enzymes mechanism based inhibitors: common sub-structures and reactivity.
Published in: Curr Drug Metab
Target family: CYP4 family (type: enzyme)
Target: CYP4A11

Ligand: epalrestat (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: yes
Primary target: no
Median affinity: 5.739999771118164 pIC50
Reference (Journal): A Specific Probe Substrate for Evaluation of CYP4A11 Activity in Human Tissue Microsomes and a Highly Selective CYP4A11 Inhibitor: Luciferin-4A and Epalrestat.
Published in: J Pharmacol Exp Ther

Ligand: TP0472993 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 6.849999904632568 pIC50
Reference (Journal): Discovery of Novel Pyrazolylpyridine Derivatives for 20-Hydroxyeicosatetraenoic Acid Synthase Inhibitors with Selective CYP4A11/4F2 Inhibition.
Published in: J Med Chem
Target family: CYP4 family (type: enzyme)
Target: CYP4F12

Ligand: HET0016 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.860000133514404 pIC50
Reference (Journal): A Specific Probe Substrate for Evaluation of CYP4A11 Activity in Human Tissue Microsomes and a Highly Selective CYP4A11 Inhibitor: Luciferin-4A and Epalrestat.
Published in: J Pharmacol Exp Ther
Target family: CYP4 family (type: enzyme)
Target: CYP4F2

Ligand: 17-octadecynoic acid (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 5.920000076293945 pKi
Reference (Journal): Leukotriene B4 omega-hydroxylase in human polymorphonuclear leukocytes. Suicidal inactivation by acetylenic fatty acids.
Published in: J Biol Chem

Ligand: sesamin (Natural product)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 6.420000076293945 pIC50
Reference (Journal): In Vitro Inhibitory Effects of Sesamin on CYP4F2 Activity.
Published in: Biol Pharm Bull

Ligand: TP0472993 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.400000095367432 pIC50
Reference (Journal): Discovery of Novel Pyrazolylpyridine Derivatives for 20-Hydroxyeicosatetraenoic Acid Synthase Inhibitors with Selective CYP4A11/4F2 Inhibition.
Published in: J Med Chem
Target family: CYP4 family (type: enzyme)
Target: CYP4Z1

Ligand: compound 7 [PMID: 32302132] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 5.230000019073486 pIC50
Reference (Journal): Design and Characterization of the First Selective and Potent Mechanism-Based Inhibitor of Cytochrome P450 4Z1.
Published in: J Med Chem
Target family: CYP5, CYP7 and CYP8 families (type: enzyme)
Target: CYP5A1

Ligand: camonagrel (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity:  -
Reference (Journal): The mechanism of anti-thrombotic, thrombolytic and fibrinolytic actions of camonagrel--a new thromboxane synthase inhibitor.
Published in: Wien Klin Wochenschr

Ligand: compound 10a [PMID: 1447738] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 8.699999809265137 pIC50
Reference (Journal): Thromboxane receptor antagonism combined with thromboxane synthase inhibition. 4. 8-[[(4-Chlorophenyl)sulfonyl]amino]-4-(3-(3-pyridinyl) propyl)octanoic acid and analogs.
Published in: J Med Chem

Ligand: compound 7p [PMID: 7861416] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 5 pIC50
Reference (Journal): Dual-acting thromboxane receptor antagonist/synthase inhibitors: synthesis and biological properties of [2-substituted-4-(3-pyridyl)-1,3-dioxan-5-yl] alkenoic acids.
Published in: J Med Chem

Ligand: dazoxiben (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 8.5 pIC50
Reference (Journal): UK-37, 248, a novel, selective thromboxane synthetase inhibitor with platelet anti-aggregatory and anti-thrombotic activity.
Published in: Thromb Res

Ligand: furegrelate sodium (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.800000190734863 pIC50
Reference (Journal): Inhibition of platelet thromboxane A2 synthase activity by sodium 5-(3'-pyridinylmethyl)benzofuran-2-carboxylate.
Published in: Prostaglandins

Ligand: ozagrel (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: yes
Approval source: China and Japan only
Primary target: no
Median affinity: 8.220000267028809 pIC50
Reference (Journal): Structure-activity relationships of (E)-3-(1,4-benzoquinonyl)-2-[(3-pyridyl)-alkyl]-2-propenoic acid derivatives that inhibit both 5-lipoxygenase and thromboxane A2 synthetase.
Published in: J Med Chem

Ligand: ozagrel (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: yes
Approval source: China and Japan only
Primary target: no
Median affinity: 8.399999618530273 pIC50
Reference (Journal): Pharmacological studies on the TXA2 synthetase inhibitor (E)-3-[p-(1H-imidazol-1-ylmethyl)phenyl]-2-propenoic acid (OKY-046).
Published in: Jpn J Pharmacol

Ligand: picotamide (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 3.799999952316284 pIC50
Reference (Journal): Characterization of N,N'-bis(3-picolyl)-4-methoxy-isophtalamide (picotamide) as a dual thromboxane synthase inhibitor/thromboxane A2 receptor antagonist in human platelets.
Published in: Thromb Haemost
Target family: CYP5, CYP7 and CYP8 families (type: enzyme)
Target: CYP7A1

Ligand: (2S,4S)-ketoconazole (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 9.699999809265137 pIC50
Reference (Journal): Stereoisomers of ketoconazole: preparation and biological activity.
Published in: J Med Chem
Target family: CYP5, CYP7 and CYP8 families (type: enzyme)
Target: CYP8A1

Ligand: compound 7p [PMID: 7861416] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 6 pIC50
Reference (Journal): Dual-acting thromboxane receptor antagonist/synthase inhibitors: synthesis and biological properties of [2-substituted-4-(3-pyridyl)-1,3-dioxan-5-yl] alkenoic acids.
Published in: J Med Chem

Ligand: tranylcypromine (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: yes
Approval source: FDA (1961)
Primary target: no
Median affinity:  -
Reference (Journal): Arterial walls are protected against deposition of platelet thrombi by a substance (prostaglandin X) which they make from prostaglandin endoperoxides.
Published in: Prostaglandins
Target family: Cytolytic pore-forming proteins (type: other_protein)
Target: perforin 1

Ligand: compound 16 [PMID: 31525966] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 5.349999904632568 pIC50
Reference (Journal): Inhibition of the Cytolytic Protein Perforin Prevents Rejection of Transplanted Bone Marrow Stem Cells in Vivo.
Published in: J Med Chem
Target family: DCAMKL family (type: enzyme)
Target: doublecortin like kinase 1

Ligand: compound 5g [PMID: 20483621] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity:  -
Reference (Journal): Synthesis and structure-activity relationships of 1,2,3,4-tetrahydropyrido[2,3-b]pyrazines as potent and selective inhibitors of the anaplastic lymphoma kinase.
Published in: Bioorg Med Chem

Ligand: DCLK1-IN-1 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 8.020000457763672 pIC50
Reference (Journal): Discovery of a selective inhibitor of doublecortin like kinase 1.
Published in: Nat Chem Biol

Ligand: DCLK1-IN-1 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 6.550000190734863 pIC50
Reference (Journal): Discovery of a selective inhibitor of doublecortin like kinase 1.
Published in: Nat Chem Biol

Ligand: DCLK1-IN-1 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 6.960000038146973 pKd
Reference (Journal): Discovery of a selective inhibitor of doublecortin like kinase 1.
Published in: Nat Chem Biol
Target family: DCAMKL family (type: enzyme)
Target: doublecortin like kinase 2

Ligand: DCLK1-IN-1 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.510000228881836 pIC50
Reference (Journal): Discovery of a selective inhibitor of doublecortin like kinase 1.
Published in: Nat Chem Biol

Ligand: XMD8-92 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 6.71999979019165 pKd
Reference (Journal): Pharmacological inhibition of BMK1 suppresses tumor growth through promyelocytic leukemia protein.
Published in: Cancer Cell
Target family: DCAMKL family (type: enzyme)
Target: doublecortin like kinase 3

Ligand: compound 5n [PMID: 20483621] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity:  -
Target family: Death-associated kinase (DAPK) family (type: enzyme)
Target: death associated protein kinase 1

Ligand: staurosporine (Natural product)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 9.300000190734863 pIC50
Reference (Journal): Synthesis, activity, and pharmacophore development for isatin-beta-thiosemicarbazones with selective activity toward multidrug-resistant cells.
Published in: J Med Chem
Target family: Death-associated kinase (DAPK) family (type: enzyme)
Target: death associated protein kinase 3

Ligand: DAPK inhibitor 13 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 6.599999904632568 pIC50
Reference (Journal): Structure-activity relationship of novel DAPK inhibitors identified by structure-based virtual screening.
Published in: Bioorg Med Chem

Ligand: silmitasertib (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.769999980926514 pIC50
Reference (Journal): Discovery and SAR of 5-(3-chlorophenylamino)benzo[c][2,6]naphthyridine-8-carboxylic acid (CX-4945), the first clinical stage inhibitor of protein kinase CK2 for the treatment of cancer.
Published in: J Med Chem

Ligand: URMC-099 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 6.820000171661377 pIC50
Reference (Journal): Discovery, synthesis, and characterization of an orally bioavailable, brain penetrant inhibitor of mixed lineage kinase 3.
Published in: J Med Chem
Target family: Death-associated kinase (DAPK) family (type: enzyme)
Target: serine/threonine kinase 17a

Ligand: AT-9283 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 8 pIC50
Reference (Journal): Fragment-based discovery of the pyrazol-4-yl urea (AT9283), a multitargeted kinase inhibitor with potent aurora kinase activity.
Published in: J Med Chem

Ligand: BAY-985 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 6.510000228881836 pIC50
Reference (Journal): Discovery of BAY-985, a Highly Selective TBK1/IKKε Inhibitor.
Published in: J Med Chem

Ligand: compound 7 [PMID: 34333981] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 6.900000095367432 pIC50
Reference (Journal): Identification of Pyrimidine-Based Lead Compounds for Understudied Kinases Implicated in Driving Neurodegeneration.
Published in: J Med Chem

Ligand: tomivosertib (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 6.889999866485596 pIC50
Reference (Journal): Structure-based Design of Pyridone-Aminal eFT508 Targeting Dysregulated Translation by Selective Mitogen-activated Protein Kinase Interacting Kinases 1 and 2 (MNK1/2) Inhibition.
Published in: J Med Chem
Target family: Decarboxylases (type: enzyme)
Target: Glutamic acid decarboxylase 1

Ligand: s-allylglycine (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity:  -
Target family: Decarboxylases (type: enzyme)
Target: Glutamic acid decarboxylase 2

Ligand: s-allylglycine (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity:  -
Target family: Decarboxylases (type: enzyme)
Target: Histidine decarboxylase

Ligand: AMA (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Median affinity:  -

Ligand: FMH (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Median affinity:  -
Reference (Journal): Inhibition of histamine synthesis in brain by alpha-fluoromethylhistidine, a new irreversible inhibitor: in vitro and in vivo studies.
Published in: J Neurochem
Target family: Decarboxylases (type: enzyme)
Target: L-Aromatic amino-acid decarboxylase

Ligand: 3-hydroxybenzylhydrazine (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity:  -

Ligand: benserazide (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: yes
Primary target: no
Median affinity:  -
Reference (Journal): Identification by virtual screening and in vitro testing of human DOPA decarboxylase inhibitors.
Published in: PLoS ONE

Ligand: carbidopa (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: yes
Approval source: FDA (1977)
Primary target: yes
Median affinity:  -

Ligand: L-α-methyldopa (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: yes
Approval source: FDA (1962)
Primary target: no
Median affinity:  -
Target family: Decarboxylases (type: enzyme)
Target: Malonyl-CoA decarboxylase

Ligand: compound 10h [PMID: 20832306] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 9.300000190734863 pIC50
Reference (Journal): Design and synthesis of a new class of malonyl-CoA decarboxylase inhibitors with anti-obesity and anti-diabetic activities.
Published in: Bioorg Med Chem Lett
Target family: Decarboxylases (type: enzyme)
Target: Ornithine decarboxylase

Ligand: APA (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.460000038146973 pIC50
Reference (Journal): 2-substituted 3-(aminooxy)propanamines as inhibitors of ornithine decarboxylase: synthesis and biological activity.
Published in: J Med Chem

Ligand: eflornithine (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: yes
Approval source: FDA (2000), EMA (2001)
Primary target: yes
Median affinity: 4.889999866485596 pKd
Reference (Journal): Inhibition of human ornithine decarboxylase activity by enantiomers of difluoromethylornithine.
Published in: Biochem J
Target family: Decarboxylases (type: enzyme)
Target: S-Adenosylmethionine decarboxylase

Ligand: sardomozide (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Median affinity: 8 pIC50
Reference (Journal): 4-Amidinoindan-1-one 2'-amidinohydrazone: a new potent and selective inhibitor of S-Adenosylmethionine decarboxylase.
Published in: J Med Chem