dwb2023/gtopdb-target-family-interaction-detail huggingface dataset:
Target family: Lanosterol biosynthesis pathway (type: enzyme)
Target: acetyl-CoA acetyltransferase 2

Ligand: K-604 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 3.890000104904175 pIC50
Reference (Journal): A selective ACAT-1 inhibitor, K-604, suppresses fatty streak lesions in fat-fed hamsters without affecting plasma cholesterol levels.
Published in: Atherosclerosis
Target family: Lanosterol biosynthesis pathway (type: enzyme)
Target: hydroxymethylglutaryl-CoA synthase 1

Ligand: hymeglusin (Natural product)
Interaction type: Inhibitor
Action: Unknown
Ligand approved: no
Median affinity: 7 pIC50
Reference (Journal): Inhibition of 3-hydroxy-3-methylglutaryl-CoA synthase and cholesterol biosynthesis by beta-lactone inhibitors and binding of these inhibitors to the enzyme.
Published in: Biochem J

Ligand: hymeglusin (Natural product)
Interaction type: Inhibitor
Action: Unknown
Ligand approved: no
Median affinity: 7 pIC50
Reference (Journal): Inhibition of hydroxymethylglutaryl-coenzyme A synthase by L-659,699.
Published in: Proc Natl Acad Sci USA

Ligand: (S)-3-hydroxy-3-methylglutaryl-CoA (Metabolite)
Interaction type: Inhibitor
Action: Feedback inhibition
Ligand approved: no
Primary target: no
Median affinity:  pKi
Reference (Journal): A visible wavelength spectrophotometric assay suitable for high-throughput screening of 3-hydroxy-3-methylglutaryl-CoA synthase.
Published in: Anal Biochem
Target family: Lanosterol biosynthesis pathway (type: enzyme)
Target: isopentenyl-diphosphate &Delta;-isomerase 1

Ligand: NE21650 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Median affinity: 4.2 pIC50
Reference (Journal): Identification of a bisphosphonate that inhibits isopentenyl diphosphate isomerase and farnesyl diphosphate synthase.
Published in: Biochem Biophys Res Commun
Target family: Lanosterol biosynthesis pathway (type: enzyme)
Target: phosphomevalonate kinase

Ligand: 3-hydroxy-3-methyl-6-phosphohexanoic acid (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Median affinity: 3.84 pKi
Reference (Journal): Inhibition of 5-phosphomevalonate kinase by an isosteric analog of 5-phosphomevalonate.
Published in: J Am Chem Soc

Ligand: cinnamic acid (Synthetic organic)
Interaction type: Inhibitor
Action: Competitive
Ligand approved: no
Median affinity: 2.42 pKi
Reference (Journal): Inhibition of rat liver mevalonate pyrophosphate decarboxylase and mevalonate phosphate kinase by phenyl and phenolic compounds.
Published in: Biochem J

Ligand: isoferulic acid (Synthetic organic)
Interaction type: Inhibitor
Action: Competitive
Ligand approved: no
Primary target: no
Median affinity: 2.4100000858306885 pKi
Reference (Journal): Inhibition of rat liver mevalonate pyrophosphate decarboxylase and mevalonate phosphate kinase by phenyl and phenolic compounds.
Published in: Biochem J

Ligand: (R)-5-diphosphomevalonate (Metabolite)
Interaction type: Inhibitor
Action: Competitive
Ligand approved: no
Median affinity: 4.75 pKi
Reference (Journal): Functional evaluation of conserved basic residues in human phosphomevalonate kinase.
Published in: Biochemistry
Target family: Lanosterol biosynthesis pathway (type: enzyme)
Target: squalene monooxygenase

Ligand: compound 1b [PMID: 9871762] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.21999979019165 pIC50
Reference (Journal): Sulfonamide derivatives of benzylamine block cholesterol biosynthesis in HepG2 cells: a new type of potent squalene epoxidase inhibitors.
Published in: Bioorg Med Chem Lett
Target family: Leucine-rich repeat proteins (type: other_protein)
Target: leucine rich repeat containing 32

Ligand: livmoniplimab (Antibody)
Interaction type: Antibody
Action: Binding
Ligand approved: no
Primary target: yes
Median affinity: 9.119999885559082 pKd
Reference (Patent): GARP-TGF-beta 1 antibodies
Target family: Leukotriene and lipoxin metabolism (type: enzyme)
Target: Dipeptidase 1

Ligand: cilastatin (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: yes
Approval source: FDA (1985)
Primary target: yes
Median affinity: 5.960000038146973 pKi
Reference (Journal): Inhibition of the mammalian beta-lactamase renal dipeptidase (dehydropeptidase-I) by (Z)-2-(acylamino)-3-substituted-propenoic acids.
Published in: J Med Chem
Target family: Leukotriene and lipoxin metabolism (type: enzyme)
Target: &gamma;-Glutamyltransferase

Ligand: acivicin (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 6.150000095367432 pIC50
Reference (Journal): The inhibition of gamma-glutamyl transpeptidase from human pancreatic carcinoma cells by (alpha S,5S)-alpha-amino-3-chloro-4,5-dihydro-5-isoxazoleacetic acid (AT-125; NSC-163501).
Published in: Res Commun Chem Pathol Pharmacol

Ligand: GGsTop (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 3.7699999809265137 pKi
Reference (Journal): Design, synthesis, and evaluation of gamma-phosphono diester analogues of glutamate as highly potent inhibitors and active site probes of gamma-glutamyl transpeptidase.
Published in: Biochemistry
Target family: Leukotriene and lipoxin metabolism (type: enzyme)
Target: Leukotriene A<sub>4</sub> hydrolase

Ligand: 4-OMe-ARM1 (Synthetic organic)
Interaction type: Activator
Action: Activation
Ligand approved: no
Primary target: no
Median affinity:  -
Reference (Journal): Effect of Modifier Structure on the Activation of Leukotriene A<sub>4</sub> Hydrolase Aminopeptidase Activity.
Published in: J Med Chem

Ligand: acebilustat (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity:  pIC50
Reference (Patent): Methods of inhibiting leukotriene a4 hydrolase

Ligand: bestatin (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 5.400000095367432 pKi
Reference (Journal): Leukotriene A4 hydrolase. Inhibition by bestatin and intrinsic aminopeptidase activity establish its functional resemblance to metallohydrolase enzymes.
Published in: J Biol Chem

Ligand: compound 1a [PMID: 25692029] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 8.270000457763672 pKi
Reference (Journal): Structure-based dissection of the active site chemistry of leukotriene A4 hydrolase: implications for M1 aminopeptidases and inhibitor design.
Published in: Chem Biol

Ligand: compound 1a [PMID: 25692029] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 8.270000457763672 pKi
Reference (Journal): Long-lasting oral analgesic effects of N-protected aminophosphinic dual ENKephalinase inhibitors (DENKIs) in peripherally controlled pain.
Published in: Pharmacol Res Perspect

Ligand: DG-051 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Median affinity: 7.3 pIC50
Reference (Journal): Discovery of 4-[(2S)-2-{[4-(4-chlorophenoxy)phenoxy]methyl}-1-pyrrolidinyl]butanoic acid (DG-051) as a novel leukotriene A4 hydrolase inhibitor of leukotriene B4 biosynthesis.
Published in: J Med Chem

Ligand: kelatorphan (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 8 pKi
Reference (Journal): Kelatorphan and related analogs: potent and selective inhibitors of leukotriene A4 hydrolase
Published in: Bioorganic and Medicinal Chemistry Letters

Ligand: LYS006 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 8.699999809265137 pIC50
Reference (Patent): Heteroaryl butanoic acid derivatives as lta4h inhibitors

Ligand: SC-22716 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 6.699999809265137 pIC50
Reference (Journal): Structure-activity relationship studies on 1-[2-(4-Phenylphenoxy)ethyl]pyrrolidine (SC-22716), a potent inhibitor of leukotriene A(4) (LTA(4)) hydrolase.
Published in: J Med Chem
Target family: Leukotriene and lipoxin metabolism (type: enzyme)
Target: Leukotriene C4 synthase

Ligand: AZD9898 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 9.539999961853027 pIC50
Reference (Patent): Cyclopropane carboxylic acid derivatives and pharmaceutical uses thereof

Ligand: AZD9898 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 9.539999961853027 pIC50
Reference (Journal): Discovery of the Oral Leukotriene C4 Synthase Inhibitor (1<i>S</i>,2<i>S</i>)-2-({5-[(5-Chloro-2,4-difluorophenyl)(2-fluoro-2-methylpropyl)amino]-3-methoxypyrazin-2-yl}carbonyl)cyclopropanecarboxylic Acid (AZD9898) as a New Treatment for Asthma.
Published in: J Med Chem

Ligand: compound 39 [PMID: 23623673] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 5.519999980926514 pIC50
Reference (Journal): 7-Phenyl-imidazoquinolin-4(5H)-one derivatives as selective and orally available mPGES-1 inhibitors.
Published in: Bioorg Med Chem

Ligand: example 36 [WO2016177845] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 8.050000190734863 pIC50
Reference (Patent): Cyclopropane carboxylic acid derivatives and pharmaceutical uses thereof

Ligand: TK05 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: yes
Median affinity: 8.220000267028809 pKi
Reference (Journal): Tandem Benzophenone Amino Pyridines, Potent and Selective Inhibitors of Human Leukotriene C4 Synthase.
Published in: J Pharmacol Exp Ther
Target family: Leukotriene receptors (type: gpcr)
Target: FPR2

Ligand: amyloid β (Peptide)
Interaction type: Agonist
Action: Full agonist
Ligand approved: no
Primary target: no
Median affinity: 7 pEC50
Reference (Journal): Amyloid (beta)42 activates a G-protein-coupled chemoattractant receptor, FPR-like-1.
Published in: J Neurosci

Ligand: amyloid β (Peptide)
Interaction type: Agonist
Action: Full agonist
Ligand approved: no
Primary target: no
Median affinity: 7 pEC50
Reference (Journal): Amyloid-beta induces chemotaxis and oxidant stress by acting at formylpeptide receptor 2, a G protein-coupled receptor expressed in phagocytes and brain.
Published in: J Biol Chem

Ligand: AG-26 (Synthetic organic)
Interaction type: Agonist
Action: Full agonist
Ligand approved: no
Median affinity: 6.3 pEC50
Reference (Journal): Identification of novel small-molecule agonists for human formyl peptide receptors and pharmacophore models of their recognition.
Published in: Mol Pharmacol

Ligand: ACT-389949 (Synthetic organic)
Interaction type: Agonist
Action: Agonist
Ligand approved: no
Primary target: no
Median affinity: 8.520000457763672 pEC50
Reference (Journal): Biomarker-guided clinical development of the first-in-class anti-inflammatory FPR2/ALX agonist ACT-389949.
Published in: Br J Clin Pharmacol

Ligand: 1R-11 (Synthetic organic)
Interaction type: Agonist
Action: Agonist
Ligand approved: no
Primary target: no
Median affinity:  -
Reference (Journal): Asymmetric synthesis and biological evaluation of imidazole- and oxazole-containing synthetic lipoxin A<sub>4</sub> mimetics (sLXms).
Published in: Eur J Med Chem
Target family: Leukotriene receptors (type: gpcr)
Target: OXE receptor

Ligand: [3H]5-oxo-ETE (Synthetic organic)
Interaction type: Agonist
Action: Agonist
Ligand approved: no
Median affinity: 8.4 pKd
Reference (Journal): Receptors for the 5-oxo class of eicosanoids in neutrophils.
Published in: J Biol Chem
Target family: Leukotriene receptors (type: gpcr)
Target: BLT<sub>2</sub> receptor

Ligand: ZK-158252 (Synthetic organic)
Interaction type: Antagonist
Action: Antagonist
Ligand approved: no
Median affinity: 6 pIC50
Reference (Journal): Hydroxyeicosanoids bind to and activate the low affinity leukotriene B4 receptor, BLT2.
Published in: J Biol Chem
Target family: Lipid binding chaperones (type: other_protein)
Target: unc-119 lipid binding chaperone

Ligand: squarunkin A (Synthetic organic)
Interaction type: None
Action: Binding
Ligand approved: no
Primary target: no
Median affinity: 8 pIC50
Reference (Journal): Small-Molecule Inhibition of the UNC119-Cargo Interaction.
Published in: Angew Chem Int Ed Engl
Target family: Lipid phosphate phosphatases (type: enzyme)
Target: phosphatase and tensin homolog

Ligand: P6949 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 5.050000190734863 pIC50
Reference (Journal): Arylstibonic acids are potent and isoform-selective inhibitors of Cdc25a and Cdc25b phosphatases.
Published in: Bioorg Med Chem
Target family: Lipid transfer/lipopolysaccharide binding proteins (type: other_protein)
Target: cholesteryl ester transfer protein

Ligand: dalcetrapib (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 5.389999866485596 pIC50
Reference (Journal): Discovery of a Novel Piperidine-Based Inhibitor of Cholesteryl Ester Transfer Protein (CETP) That Retains Activity in Hypertriglyceridemic Plasma.
Published in: J Med Chem

Ligand: MK-8262 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.28000020980835 pIC50
Reference (Journal): Invention of MK-8262, a Cholesteryl Ester Transfer Protein (CETP) Inhibitor Backup to Anacetrapib with Best-in-Class Properties.
Published in: J Med Chem

Ligand: evacetrapib (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.590000152587891 pIC50
Reference (Journal): Design, synthesis and structure-activity-relationship of 1,5-tetrahydronaphthyridines as CETP inhibitors.
Published in: Bioorg Med Chem Lett

Ligand: DRL-17822 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 6 pIC50
Reference (Patent): Novel benzylamine derivatives and their utility as cholesterol ester-transfer protein inhibitors

Ligand: anacetrapib (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.760000228881836 pIC50
Reference (Journal): Biphenyl-substituted oxazolidinones as cholesteryl ester transfer protein inhibitors: modifications of the oxazolidinone ring leading to the discovery of anacetrapib.
Published in: J Med Chem

Ligand: obicetrapib (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity:  -
Reference (Journal): Tolerability, pharmacokinetics and pharmacodynamics of TA-8995, a selective cholesteryl ester transfer protein (CETP) inhibitor, in healthy subjects.
Published in: Br J Clin Pharmacol
Target family: Lipoxygenases (type: enzyme)
Target: 12S-LOX

Ligand: ML355 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: yes
Median affinity: 6.46999979019165 pIC50
Reference (Journal): Synthesis and structure-activity relationship studies of 4-((2-hydroxy-3-methoxybenzyl)amino)benzenesulfonamide derivatives as potent and selective inhibitors of 12-lipoxygenase.
Published in: J Med Chem
Target family: Lipoxygenases (type: enzyme)
Target: 15-LOX-1

Ligand: compound 34 [PMID: 20866075] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: yes
Median affinity: 8 pKi
Reference (Journal): Discovery of potent and selective inhibitors of human reticulocyte 15-lipoxygenase-1.
Published in: J Med Chem

Ligand: ML351 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 6.699999809265137 pIC50
Reference (Journal): Discovery of ML351, a Potent and Selective Inhibitor of Human 15-Lipoxygenase-1
Published in: Probe Reports from the NIH Molecular Libraries Program

Ligand: PD-146176 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 6.699999809265137 pKi
Reference (Journal): Attenuation of diet-induced atherosclerosis in rabbits with a highly selective 15-lipoxygenase inhibitor lacking significant antioxidant properties.
Published in: Br J Pharmacol

Ligand: PKUMDL_MH_1001 (Synthetic organic)
Interaction type: Allosteric modulator
Action: Positive
Ligand approved: no
Primary target: no
Median affinity: 5.409999847412109 pKd
Reference (Journal): Discovery of Novel 15-Lipoxygenase Activators To Shift the Human Arachidonic Acid Metabolic Network toward Inflammation Resolution.
Published in: J Med Chem
Target family: Lipoxygenases (type: enzyme)
Target: 15-LOX-2

Ligand: compound 21n [PMID: 17656086] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.289999961853027 pIC50
Reference (Journal): Discovery of selective imidazole-based inhibitors of mammalian 15-lipoxygenase: highly potent against human enzyme within a cellular environment.
Published in: Bioorg Med Chem Lett

Ligand: MLS000536924 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 5.599999904632568 pKi
Reference (Journal): A high throughput screen identifies potent and selective inhibitors to human epithelial 15-lipoxygenase-2.
Published in: PLoS ONE
Target family: Lymphocyte antigens (type: other_protein)
Target: lymphocyte antigen 96

Ligand: L6H21 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: yes
Median affinity: 4.480000019073486 pKd
Reference (Journal): MD-2 as the target of a novel small molecule, L6H21, in the attenuation of LPS-induced inflammatory response and sepsis.
Published in: Br J Pharmacol

Ligand: neoceptin-3 (Synthetic organic)
Interaction type: Agonist
Action: Binding
Ligand approved: no
Primary target: no
Median affinity:  -
Reference (Journal): TLR4/MD-2 activation by a synthetic agonist with no similarity to LPS.
Published in: Proc Natl Acad Sci USA
Target family: Lysophospholipid (LPA) receptors (type: gpcr)
Target: LPA<sub>2</sub> receptor

Ligand: CpY (Synthetic organic)
Interaction type: Agonist
Action: Agonist
Ligand approved: no
Primary target: no
Median affinity: 8.699999809265137 pKi
Reference (Journal): Lysophosphatidic Acid Receptor Agonism: Discovery of Potent Nonlipid Benzofuran Ethanolamine Structures.
Published in: J Pharmacol Exp Ther
Target family: Lysophospholipid (LPA) receptors (type: gpcr)
Target: LPA<sub>4</sub> receptor

Ligand: [1-bromo-(3S)-hydrox-4-(palmitoyloxy)butyl]phosphate (Synthetic organic)
Interaction type: Antagonist
Action: Antagonist
Ligand approved: no
Primary target: no
Median affinity: 6.579999923706055 pIC50
Reference (Journal): LPA and its analogs-attractive tools for elucidation of LPA biology and drug development.
Published in: Curr Med Chem

Ligand: AM966 (Synthetic organic)
Interaction type: Antagonist
Action: Antagonist
Ligand approved: no
Median affinity: 5.1 pIC50
Reference (Journal): A novel, orally active LPA(1) receptor antagonist inhibits lung fibrosis in the mouse bleomycin model.
Published in: Br J Pharmacol

Ligand: farnesyl diphosphate (Metabolite)
Interaction type: Antagonist
Action: Antagonist
Ligand approved: no
Median affinity: 5.7 pIC50
Reference (Journal): Unique ligand selectivity of the GPR92/LPA5 lysophosphatidate receptor indicates role in human platelet activation.
Published in: J Biol Chem

Ligand: farnesyl monophosphate (Metabolite)
Interaction type: Antagonist
Action: Antagonist
Ligand approved: no
Median affinity: 5.84 pIC50
Reference (Journal): Unique ligand selectivity of the GPR92/LPA5 lysophosphatidate receptor indicates role in human platelet activation.
Published in: J Biol Chem

Ligand: LPA (Metabolite)
Interaction type: Agonist
Action: Agonist
Ligand approved: no
Primary target: no
Median affinity: 7.349999904632568 pKd
Reference (Journal): Identification of p2y9/GPR23 as a novel G protein-coupled receptor for lysophosphatidic acid, structurally distant from the Edg family.
Published in: J Biol Chem

Ligand: LPA (Metabolite)
Interaction type: Agonist
Action: Agonist
Ligand approved: no
Median affinity: 7.35 pKd
Reference (Journal): Identification of p2y9/GPR23 as a novel G protein-coupled receptor for lysophosphatidic acid, structurally distant from the Edg family.
Published in: J Biol Chem
Target family: Lysophospholipid (LPA) receptors (type: gpcr)
Target: LPA<sub>6</sub> receptor

Ligand: LPA (Metabolite)
Interaction type: Agonist
Action: Partial agonist
Ligand approved: no
Primary target: no
Median affinity: 6 pEC50
Reference (Journal): Identification and characterization of a novel lysophosphatidic acid receptor, p2y5/LPA6.
Published in: J Biol Chem

Ligand: LPA (Metabolite)
Interaction type: Agonist
Action: Agonist
Ligand approved: no
Median affinity: 6 pEC50
Reference (Journal): Identification and characterization of a novel lysophosphatidic acid receptor, p2y5/LPA6.
Published in: J Biol Chem

Ligand: LPA (Metabolite)
Interaction type: Agonist
Action: Agonist
Ligand approved: no
Median affinity: 6 pEC50
Reference (Journal): G protein-coupled receptor P2Y5 and its ligand LPA are involved in maintenance of human hair growth.
Published in: Nat Genet
Target family: Lysophospholipid (S1P) receptors (type: gpcr)
Target: S1P<sub>3</sub> receptor

Ligand: SPM-354 (Synthetic organic)
Interaction type: Antagonist
Action: Antagonist
Ligand approved: no
Primary target: no
Median affinity: 9.300000190734863 pA2
Reference (Journal): Bitopic Sphingosine 1-Phosphate Receptor 3 (S1P3) Antagonist Rescue from Complete Heart Block: Pharmacological and Genetic Evidence for Direct S1P3 Regulation of Mouse Cardiac Conduction.
Published in: Mol Pharmacol
Target family: Lysophospholipid (S1P) receptors (type: gpcr)
Target: S1P<sub>3</sub> receptor

Ligand: VPC44116 (Synthetic organic)
Interaction type: Antagonist
Action: Antagonist
Ligand approved: no
Primary target: no
Median affinity: 6.519999980926514 pKi
Reference (Journal): Synthesis and biological evaluation of gamma-aminophosphonates as potent, subtype-selective sphingosine 1-phosphate receptor agonists and antagonists.
Published in: Bioorg Med Chem

Ligand: VPC23019 (Synthetic organic)
Interaction type: Antagonist
Action: Antagonist
Ligand approved: no
Primary target: no
Median affinity: 5.929999828338623 pKi
Reference (Journal): Sphingosine 1-phosphate analogs as receptor antagonists.
Published in: J Biol Chem

Ligand: VPC12249 (Synthetic organic)
Interaction type: Agonist
Action: Agonist
Ligand approved: no
Median affinity: 6.5 pEC50
Reference (Journal): Synthesis and biological evaluation of gamma-aminophosphonates as potent, subtype-selective sphingosine 1-phosphate receptor agonists and antagonists.
Published in: Bioorg Med Chem

Ligand: VPC03090-P (Synthetic organic)
Interaction type: Antagonist
Action: Antagonist
Ligand approved: no
Primary target: no
Median affinity:  pKi
Reference (Journal): Characterization of a sphingosine 1-phosphate receptor antagonist prodrug.
Published in: J Pharmacol Exp Ther

Ligand: TY-52156 (Synthetic organic)
Interaction type: Antagonist
Action: Antagonist
Ligand approved: no
Primary target: no
Median affinity: 6.960000038146973 pKi
Reference (Journal): Sphingosine 1-phosphate (S1P) regulates vascular contraction via S1P3 receptor: investigation based on a new S1P3 receptor antagonist.
Published in: Mol Pharmacol