dwb2023/gtopdb-target-family-interaction-detail huggingface dataset:
Target family: 2E. Tailless-like receptors (type: nhr)
Target: TLX

Ligand: tretinoin (Metabolite)
Interaction type: Agonist
Action: Agonist
Ligand approved: yes
Approval source: FDA (1995)
Primary target: no
Median affinity: 5.739999771118164 pEC50
Reference (Journal): The Orphan Nuclear Receptor TLX Is a Receptor for Synthetic and Natural Retinoids.
Published in: Cell Chem Biol

Ligand: compound 10 [PMID: 34989568] (Synthetic organic)
Interaction type: Agonist
Action: Agonist
Ligand approved: no
Primary target: no
Median affinity: 5.71999979019165 pKd
Reference (Journal): Design of a Potent TLX Agonist by Rational Fragment Fusion.
Published in: J Med Chem

Ligand: BMS493 (Synthetic organic)
Interaction type: Agonist
Action: Agonist
Ligand approved: no
Primary target: no
Median affinity: 7.269999980926514 pIC50
Reference (Journal): The Orphan Nuclear Receptor TLX Is a Receptor for Synthetic and Natural Retinoids.
Published in: Cell Chem Biol
Target family: 3.1.1.- Carboxylic Ester Hydrolases (type: enzyme)
Target: carboxyl ester lipase

Ligand: compound 10f [PMID: 24556381] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 5.880000114440918 pIC50
Reference (Journal): Synthesis and evaluation of 2-(1H-indol-3-yl)-4-phenylquinolines as inhibitors of cholesterol esterase.
Published in: Bioorg Med Chem Lett
Target family: 3.1.1.- Carboxylic Ester Hydrolases (type: enzyme)
Target: RB binding protein 9, serine hydrolase

Ligand: Ala(1-naph)-Pro-CN (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 6.059999942779541 pIC50
Reference (Journal): A high-throughput, multiplexed assay for superfamily-wide profiling of enzyme activity.
Published in: Nat Chem Biol
Target family: 3.1.1.- Carboxylic Ester Hydrolases (type: enzyme)
Target: protein phosphatase methylesterase 1

Ligand: ABL127 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 8 pIC50
Reference (Journal): Discovery and optimization of sulfonyl acrylonitriles as selective, covalent inhibitors of protein phosphatase methylesterase-1.
Published in: J Med Chem
Target family: 3.1.1.- Carboxylic Ester Hydrolases (type: enzyme)
Target: carboxyl ester lipase

Ligand: compound 10l [PMID: 24556381] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 5.699999809265137 pIC50
Reference (Journal): Synthesis and evaluation of 2-(1H-indol-3-yl)-4-phenylquinolines as inhibitors of cholesterol esterase.
Published in: Bioorg Med Chem Lett
Target family: 3.1.1.- Carboxylic Ester Hydrolases (type: enzyme)
Target: acyloxyacyl hydrolase

Ligand: JZL195 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.360000133514404 pIC50
Reference (Journal): A high-throughput, multiplexed assay for superfamily-wide profiling of enzyme activity.
Published in: Nat Chem Biol
Target family: 3.1.1.- Carboxylic Ester Hydrolases (type: enzyme)
Target: protein phosphatase methylesterase 1

Ligand: ABL127 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.920000076293945 pIC50
Reference (Journal): A high-throughput, multiplexed assay for superfamily-wide profiling of enzyme activity.
Published in: Nat Chem Biol
Target family: 3.1.-.- Ester bond enzymes (type: enzyme)
Target: palmitoyl-protein thioesterase 1

Ligand: ezurpimtrostat (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity:  -
Reference (Journal): GNS561, a clinical-stage PPT1 inhibitor, is efficient against hepatocellular carcinoma <i>via</i> modulation of lysosomal functions.
Published in: Autophagy
Target family: 3.2.1.- Glycosidases (type: enzyme)
Target: glucosylceramidase beta

Ligand: NCGC607 (Synthetic organic)
Interaction type: None
Action: Binding
Ligand approved: no
Primary target: no
Median affinity:  -
Reference (Journal): A New Glucocerebrosidase Chaperone Reduces α-Synuclein and Glycolipid Levels in iPSC-Derived Dopaminergic Neurons from Patients with Gaucher Disease and Parkinsonism.
Published in: J Neurosci
Target family: 3.2.1.- Glycosidases (type: enzyme)
Target: heparanase

Ligand: pixatimod (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 8.210000038146973 pKi
Reference (Journal): Discovery of PG545: a highly potent and simultaneous inhibitor of angiogenesis, tumor growth, and metastasis.
Published in: J Med Chem
Target family: 3.2.1.- Glycosidases (type: enzyme)
Target: maltase-glucoamylase

Ligand: acarbose (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: yes
Approval source: FDA (2007), UK (2009), Germany, France, Hungary, Poland, Portugal (2011)
Primary target: no
Median affinity:  pKi
Reference (Journal): Mapping the intestinal alpha-glucogenic enzyme specificities of starch digesting maltase-glucoamylase and sucrase-isomaltase.
Published in: Bioorg Med Chem

Ligand: miglitol (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: yes
Approval source: FDA (1996)
Primary target: no
Median affinity:  pKi
Reference (Journal): Mapping the intestinal alpha-glucogenic enzyme specificities of starch digesting maltase-glucoamylase and sucrase-isomaltase.
Published in: Bioorg Med Chem

Ligand: miglitol (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: yes
Approval source: FDA (1996)
Primary target: yes
Median affinity: 6 pKi
Reference (Journal): Probing the active-site requirements of human intestinal N-terminal maltase-glucoamylase: Synthesis and enzyme inhibitory activities of a six-membered ring nitrogen analogue of kotalanol and its de-O-sulfonated derivative.
Published in: Bioorg Med Chem
Target family: 3.2.1.- Glycosidases (type: enzyme)
Target: alpha glucosidase

Ligand: 1-deoxynojirimycin (Natural product)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 6.820000171661377 pKi
Reference (Journal): New deoxynojirimycin derivatives as potent inhibitors of intestinal &alpha;-glucohydrolases.
Published in: Bioorg Med Chem Lett

Ligand: migalastat (Synthetic organic)
Interaction type: Inhibitor
Action: Binding
Ligand approved: yes
Approval source: EMA (2016), FDA (2018)
Primary target: no
Median affinity: 7.400000095367432 pIC50
Reference (Journal): In vitro inhibition and intracellular enhancement of lysosomal alpha-galactosidase A activity in Fabry lymphoblasts by 1-deoxygalactonojirimycin and its derivatives.
Published in: Eur J Biochem

Ligand: miglitol (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: yes
Approval source: FDA (1996)
Primary target: yes
Median affinity: 6.460000038146973 pIC50
Reference (Journal): In vitro inhibition of glycogen-degrading enzymes and glycosidases by six-membered sugar mimics and their evaluation in cell cultures.
Published in: Bioorg Med Chem

Ligand: trilobatin (Natural product)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 3.619999885559082 pIC50
Reference (Journal): Inhibition of &#x3b1;-glucosidase by trilobatin and its mechanism: kinetics, interaction mechanism and molecular docking.
Published in: Food Funct
Target family: 3.2.1.- Glycosidases (type: enzyme)
Target: amylase alpha 2A

Ligand: acarbose (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: yes
Approval source: FDA (2007), UK (2009), Germany, France, Hungary, Poland, Portugal (2011)
Primary target: no
Median affinity: 4.449999809265137 pIC50
Reference (Journal): Synthesis and glycosidase inhibitory activity of novel (2-phenyl-4H-benzopyrimedo[2,1-b]-thiazol-4-yliden)acetonitrile derivatives.
Published in: Bioorg Med Chem Lett
Target family: 3.2.1.- Glycosidases (type: enzyme)
Target: glucosylceramidase beta

Ligand: ambroxol (Synthetic organic)
Interaction type: None
Action: Binding
Ligand approved: yes
Primary target: no
Median affinity:  -
Reference (Journal): Identification and characterization of ambroxol as an enzyme enhancement agent for Gaucher disease.
Published in: J Biol Chem
Target family: 3.4.21.46 Complement factor D (type: enzyme)
Target: complement factor D

Ligand: example 373 [WO2012093101] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: yes
Median affinity: 9 pIC50
Reference (Journal): Factor D Inhibitors for the Treatment of AMD: Patent Highlight.
Published in: ACS Med Chem Lett

Ligand: lampalizumab (Antibody)
Interaction type: Antibody
Action: Binding
Ligand approved: no
Primary target: yes
Median affinity: 10.699999809265137 pKi
Reference (Journal): Complement inhibition in cynomolgus monkeys by anti-factor d antigen-binding fragment for the treatment of an advanced form of dry age-related macular degeneration.
Published in: J Pharmacol Exp Ther

Ligand: example 373 [WO2012093101] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: yes
Median affinity: 9 pIC50
Reference (Patent): Indole compounds or analogues thereof useful for the treatment of age-related macular degeneration (AMD).

Ligand: compound 2 [PMID: 28621538] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 8.220000267028809 pIC50
Reference (Journal): Discovery of Highly Potent and Selective Small-Molecule Reversible Factor D Inhibitors Demonstrating Alternative Complement Pathway Inhibition in Vivo.
Published in: J Med Chem

Ligand: danicopan (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: yes
Approval source: Japan (2024), FDA (2024)
Primary target: no
Median affinity: 9 pKd
Reference (Journal): Chemical Approaches to Modulating Complement-Mediated Diseases.
Published in: J Med Chem
Target family: 3.5.1.2 Glutaminases (type: enzyme)
Target: glutaminase

Ligand: telaglenastat (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: yes
Median affinity: 8.300000190734863 pIC50
Reference (Patent): Heterocyclic inhibitors of glutaminase.

Ligand: IPN60090 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.510000228881836 pIC50
Reference (Journal): Discovery of IPN60090, a Clinical Stage Selective Glutaminase-1 (GLS-1) Inhibitor with Excellent Pharmacokinetic and Physicochemical Properties.
Published in: J Med Chem
Target family: 3.5.1.- Histone deacetylases (HDACs) (type: enzyme)
Target: histone deacetylase 3

Ligand: KA1010 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 6.150000095367432 pIC50
Reference (Journal): Inhibition of Histone Deacetylase 6 Reveals a Potent Immunosuppressant Effect in Models of Transplantation.
Published in: Transplantation
Target family: 3.5.1.- Histone deacetylases (HDACs) (type: enzyme)
Target: sirtuin 6

Ligand: MDL-800 (Synthetic organic)
Interaction type: Allosteric modulator
Action: Binding
Ligand approved: no
Primary target: no
Median affinity: 5.269999980926514 pKd
Reference (Journal): Identification of a cellularly active SIRT6 allosteric activator.
Published in: Nat Chem Biol

Ligand: MDL-800 (Synthetic organic)
Interaction type: Allosteric modulator
Action: Activation
Ligand approved: no
Primary target: no
Median affinity: 4.989999771118164 pEC50
Reference (Journal): Identification of a cellularly active SIRT6 allosteric activator.
Published in: Nat Chem Biol

Ligand: AKK(thioAc)LM21 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 4.329999923706055 pIC50
Reference (Journal): Peptides and Pseudopeptides as SIRT6 Deacetylation Inhibitors.
Published in: ACS Med Chem Lett
Target family: 3.5.1.- Histone deacetylases (HDACs) (type: enzyme)
Target: sirtuin 5

Ligand: compound 2 [Maurer et al., 2012] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: yes
Median affinity: 5.639999866485596 pIC50
Reference (Journal): Inhibitors of the NAD(+)-Dependent Protein Desuccinylase and Demalonylase Sirt5.
Published in: ACS Med Chem Lett
Target family: 3.5.1.- Histone deacetylases (HDACs) (type: enzyme)
Target: sirtuin 3

Ligand: compound 17 [PMID: 23570514] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 8.489999771118164 pIC50
Reference (Journal): Discovery of thieno[3,2-d]pyrimidine-6-carboxamides as potent inhibitors of SIRT1, SIRT2, and SIRT3.
Published in: J Med Chem
Target family: 3.5.1.- Histone deacetylases (HDACs) (type: enzyme)
Target: sirtuin 2

Ligand: compound 86 [PMID: 26982234] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: yes
Median affinity: 7.139999866485596 pKi
Reference (Journal): 5-((3-Amidobenzyl)oxy)nicotinamides as Sirtuin 2 Inhibitors.
Published in: J Med Chem

Ligand: compound 17 [PMID: 23570514] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 8.739999771118164 pIC50
Reference (Journal): Discovery of thieno[3,2-d]pyrimidine-6-carboxamides as potent inhibitors of SIRT1, SIRT2, and SIRT3.
Published in: J Med Chem

Ligand: AGK2 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity:  pIC50
Reference (Journal): Discovery of potent and selective sirtuin 2 (SIRT2) inhibitors using a fragment-based approach.
Published in: J Med Chem

Ligand: AGK2 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity:  pIC50
Reference (Journal): Sirtuin 2 inhibitors rescue alpha-synuclein-mediated toxicity in models of Parkinson's disease.
Published in: Science
Target family: 3.5.1.- Histone deacetylases (HDACs) (type: enzyme)
Target: sirtuin 1

Ligand: SRT2104 (Synthetic organic)
Interaction type: Activator
Action: Activation
Ligand approved: no
Primary target: no
Median affinity:  -
Reference (Journal): The Identification of the SIRT1 Activator SRT2104 as a Clinical Candidate
Published in: Lett Drug Des Discov

Ligand: SRT1720 (Synthetic organic)
Interaction type: Activator
Action: Activation
Ligand approved: no
Primary target: yes
Median affinity: 6.800000190734863 pEC50
Reference (Journal): Small molecule activators of SIRT1 as therapeutics for the treatment of type 2 diabetes.
Published in: Nature

Ligand: splitomicin (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 4.019999980926514 pIC50
Reference (Journal): Characterization of sirtuin inhibitors in nematodes expressing a muscular dystrophy protein reveals muscle cell and behavioral protection by specific sirtinol analogues.
Published in: J Med Chem

Ligand: SIRT1 activator 3 (Synthetic organic)
Interaction type: Activator
Action: Activation
Ligand approved: no
Primary target: no
Median affinity: 6 pIC50
Reference (Journal): SIRT1 modulating compounds from high-throughput screening as anti-inflammatory and insulin-sensitizing agents.
Published in: J Biomol Screen

Ligand: selisistat (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: yes
Median affinity: 7.420000076293945 pIC50
Reference (Journal): Inhibition of SIRT1 catalytic activity increases p53 acetylation but does not alter cell survival following DNA damage.
Published in: Mol Cell Biol

Ligand: compound 17 [PMID: 23570514] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 8.170000076293945 pIC50
Reference (Journal): Discovery of thieno[3,2-d]pyrimidine-6-carboxamides as potent inhibitors of SIRT1, SIRT2, and SIRT3.
Published in: J Med Chem
Target family: 3.5.1.- Histone deacetylases (HDACs) (type: enzyme)
Target: histone deacetylase 11

Ligand: vorinostat (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: yes
Approval source: FDA (2006)
Primary target: no
Median affinity: 7.440000057220459 pKi
Reference (Journal): Acylurea connected straight chain hydroxamates as novel histone deacetylase inhibitors: Synthesis, SAR, and in vivo antitumor activity.
Published in: Bioorg Med Chem Lett

Ligand: SS-208 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 5.289999961853027 pIC50
Reference (Journal): Discovery of a New Isoxazole-3-hydroxamate-Based Histone Deacetylase 6 Inhibitor SS-208 with Antitumor Activity in Syngeneic Melanoma Mouse Models.
Published in: J Med Chem

Ligand: quisinostat (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 9.430000305175781 pIC50
Reference (Journal): JNJ-26481585, a novel &quot;second-generation&quot; oral histone deacetylase inhibitor, shows broad-spectrum preclinical antitumoral activity.
Published in: Clin Cancer Res

Ligand: KA1010 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 6.230000019073486 pIC50
Reference (Journal): Inhibition of Histone Deacetylase 6 Reveals a Potent Immunosuppressant Effect in Models of Transplantation.
Published in: Transplantation

Ligand: fimepinostat (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 8.270000457763672 pIC50
Reference (Journal): Cancer network disruption by a single molecule inhibitor targeting both histone deacetylase activity and phosphatidylinositol 3-kinase signaling.
Published in: Clin Cancer Res
Target family: 3.5.3.15 Peptidyl arginine deiminases (PADI) (type: enzyme)
Target: peptidyl arginine deiminase 3

Ligand: compound 3 [PMID: 24440480] (Synthetic organic)
Interaction type: Inhibitor
Action: Irreversible inhibition
Ligand approved: no
Primary target: no
Median affinity:  -
Reference (Journal): Insights into the mechanism of streptonigrin-induced protein arginine deiminase inactivation.
Published in: Bioorg Med Chem

Ligand: streptonigrin (Natural product)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 6.369999885559082 pIC50
Target family: 3.5.3.15 Peptidyl arginine deiminases (PADI) (type: enzyme)
Target: peptidyl arginine deiminase 4

Ligand: Cl-amidine (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity:  -
Reference (Journal): Identification of multiple structurally distinct, nonpeptidic small molecule inhibitors of protein arginine deiminase 3 using a substrate-based fragment method.
Published in: J Am Chem Soc

Ligand: compound 14b [PMID: 25742366] (Synthetic organic)
Interaction type: Inhibitor
Action: Irreversible inhibition
Ligand approved: no
Primary target: no
Median affinity:  -
Reference (Journal): Identification of multiple structurally distinct, nonpeptidic small molecule inhibitors of protein arginine deiminase 3 using a substrate-based fragment method.
Published in: J Am Chem Soc

Ligand: compound 3 [PMID: 24440480] (Synthetic organic)
Interaction type: Inhibitor
Action: Irreversible inhibition
Ligand approved: no
Primary target: no
Median affinity:  -
Reference (Journal): Insights into the mechanism of streptonigrin-induced protein arginine deiminase inactivation.
Published in: Bioorg Med Chem
Target family: 3.5.3.15 Peptidyl arginine deiminases (PADI) (type: enzyme)
Target: peptidyl arginine deiminase 3

Ligand: Cl-amidine (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity:  -
Reference (Journal): Identification of multiple structurally distinct, nonpeptidic small molecule inhibitors of protein arginine deiminase 3 using a substrate-based fragment method.
Published in: J Am Chem Soc
Target family: 3.5.3.15 Peptidyl arginine deiminases (PADI) (type: enzyme)
Target: peptidyl arginine deiminase 4

Ligand: o-F-amidine (Synthetic organic)
Interaction type: Inhibitor
Action: Irreversible inhibition
Ligand approved: no
Primary target: yes
Median affinity: 5.71999979019165 pIC50
Reference (Journal): The development of N-α-(2-carboxyl)benzoyl-N(5)-(2-fluoro-1-iminoethyl)-l-ornithine amide (o-F-amidine) and N-α-(2-carboxyl)benzoyl-N(5)-(2-chloro-1-iminoethyl)-l-ornithine amide (o-Cl-amidine) as second generation protein arginine deiminase (PAD) inhibitors.
Published in: J Med Chem

Ligand: JBI-589 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity:  pIC50
Reference (Patent): Method and compound for use, in treating and/or preventing netosis

Ligand: JBI-589 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 6.909999847412109 pIC50
Reference (Journal): Alleviation of arthritis through prevention of neutrophil extracellular traps by an orally available inhibitor of protein arginine deiminase 4.
Published in: Sci Rep

Ligand: streptonigrin (Natural product)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: yes
Median affinity: 5.599999904632568 pIC50
Reference (Journal): A fluopol-ABPP HTS assay to identify PAD inhibitors.
Published in: Chem Commun (Camb.)
Target family: 3.5.3.15 Peptidyl arginine deiminases (PADI) (type: enzyme)
Target: peptidyl arginine deiminase 1

Ligand: o-F-amidine (Synthetic organic)
Interaction type: Inhibitor
Action: Irreversible inhibition
Ligand approved: no
Primary target: yes
Median affinity: 5.849999904632568 pIC50
Reference (Journal): The development of N-α-(2-carboxyl)benzoyl-N(5)-(2-fluoro-1-iminoethyl)-l-ornithine amide (o-F-amidine) and N-α-(2-carboxyl)benzoyl-N(5)-(2-chloro-1-iminoethyl)-l-ornithine amide (o-Cl-amidine) as second generation protein arginine deiminase (PAD) inhibitors.
Published in: J Med Chem
Target family: 3.5.3.15 Peptidyl arginine deiminases (PADI) (type: enzyme)
Target: peptidyl arginine deiminase 3

Ligand: compound 14b [PMID: 25742366] (Synthetic organic)
Interaction type: Inhibitor
Action: Irreversible inhibition
Ligand approved: no
Primary target: yes
Median affinity:  -
Reference (Journal): Identification of multiple structurally distinct, nonpeptidic small molecule inhibitors of protein arginine deiminase 3 using a substrate-based fragment method.
Published in: J Am Chem Soc
Target family: 3.6.1.3 ATPases (type: enzyme)
Target: ATPase family AAA domain containing 2B

Ligand: GSK8814 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: yes
Median affinity: 7.699999809265137 pIC50
Reference (Journal): A Chemical Probe for the ATAD2 Bromodomain.
Published in: Angew Chem Int Ed Engl