dwb2023/gtopdb-target-family-interaction-detail huggingface dataset:
Target family: SLC7 family (type: transporter)
Target: Cystine/glutamate transporter

Ligand: quisqualate (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 5.300000190734863 pIC50
Reference (Journal): Conformationally-restricted amino acid analogues bearing a distal sulfonic acid show selective inhibition of system x(c)(-) over the vesicular glutamate transporter.
Published in: Bioorg Med Chem Lett
Target family: SLC8 family of sodium/calcium exchangers (type: transporter)
Target: Sodium/calcium exchanger 2

Ligand: neurounina-1 (Synthetic organic)
Interaction type: Activator
Action: Activation
Ligand approved: no
Primary target: no
Median affinity: 8.770000457763672 pEC50
Reference (Journal): Neurounina-1, a novel compound that increases Na+/Ca2+ exchanger activity, effectively protects against stroke damage.
Published in: Mol Pharmacol
Target family: SLC8 family of sodium/calcium exchangers (type: transporter)
Target: Sodium/calcium exchanger 1

Ligand: neurounina-1 (Synthetic organic)
Interaction type: Activator
Action: Activation
Ligand approved: no
Primary target: no
Median affinity: 8.850000381469727 pEC50
Reference (Journal): Neurounina-1, a novel compound that increases Na+/Ca2+ exchanger activity, effectively protects against stroke damage.
Published in: Mol Pharmacol
Target family: SLC8 family of sodium/calcium exchangers (type: transporter)
Target: Sodium/calcium exchanger 3

Ligand: YM-244769 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: yes
Median affinity: 7.739999771118164 pIC50
Reference (Journal): YM-244769, a novel Na+/Ca2+ exchange inhibitor that preferentially inhibits NCX3, efficiently protects against hypoxia/reoxygenation-induced SH-SY5Y neuronal cell damage.
Published in: Mol Pharmacol
Target family: SLC9 family of sodium/hydrogen exchangers (type: transporter)
Target: Sodium/hydrogen exchanger 5

Ligand: amiloride (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: yes
Approval source: FDA (1981)
Primary target: no
Median affinity: 4.679999828338623 pKi
Reference (Journal): An overview of inhibitors of Na(+)/H(+) exchanger.
Published in: Eur J Med Chem
Target family: SLC9 family of sodium/hydrogen exchangers (type: transporter)
Target: Sodium/hydrogen exchanger 3

Ligand: amiloride (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: yes
Approval source: FDA (1981)
Primary target: no
Median affinity: 4 pKi
Reference (Journal): An overview of inhibitors of Na(+)/H(+) exchanger.
Published in: Eur J Med Chem
Target family: SLC9 family of sodium/hydrogen exchangers (type: transporter)
Target: Sodium/hydrogen exchanger 2

Ligand: amiloride (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: yes
Approval source: FDA (1981)
Primary target: no
Median affinity:  pKi
Reference (Journal): An overview of inhibitors of Na(+)/H(+) exchanger.
Published in: Eur J Med Chem
Target family: SLC9 family of sodium/hydrogen exchangers (type: transporter)
Target: Sodium/hydrogen exchanger 1

Ligand: amiloride (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: yes
Approval source: FDA (1981)
Primary target: no
Median affinity:  pKi
Reference (Journal): An overview of inhibitors of Na(+)/H(+) exchanger.
Published in: Eur J Med Chem
Target family: SLC9 family of sodium/hydrogen exchangers (type: transporter)
Target: Sodium/hydrogen exchanger 3

Ligand: tenapanor (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: yes
Approval source: FDA (2019)
Primary target: no
Median affinity: 7 pIC50
Reference (Patent): Compounds and methods for inhibiting NHE-mediated antiport in the treatment of disorders associated with fluid retention or salt overload and gastrointestinal tract disorders.
Target family: SLCO family of organic anion transporting polypeptides (type: transporter)
Target: OATP1B1

Ligand: indocyanine green (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Median affinity:  -
Target family: SLCO family of organic anion transporting polypeptides (type: transporter)
Target: OATP4C1

Ligand: [3H]digoxin (Synthetic organic)
Interaction type: None
Action: None
Ligand approved: no
Median affinity:  -
Target family: SLCO family of organic anion transporting polypeptides (type: transporter)
Target: OATP4A1

Ligand: [3H]estrone-3-sulphate (Synthetic organic)
Interaction type: None
Action: None
Ligand approved: no
Median affinity:  -
Target family: SLCO family of organic anion transporting polypeptides (type: transporter)
Target: OATP3A1

Ligand: [3H]PGE2 (Synthetic organic)
Interaction type: None
Action: None
Ligand approved: no
Median affinity:  -

Ligand: [3H]estrone-3-sulphate (Synthetic organic)
Interaction type: None
Action: None
Ligand approved: no
Median affinity:  -
Target family: SLCO family of organic anion transporting polypeptides (type: transporter)
Target: OATP2B1

Ligand: verlukast (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 5.550000190734863 pKi
Reference (Journal): Classification of inhibitors of hepatic organic anion transporting polypeptides (OATPs): influence of protein expression on drug-drug interactions.
Published in: J Med Chem

Ligand: [3H]estrone-3-sulphate (Synthetic organic)
Interaction type: None
Action: None
Ligand approved: no
Median affinity:  -

Ligand: [3H]BSP (Synthetic organic)
Interaction type: None
Action: None
Ligand approved: no
Median affinity:  -

Ligand: sildenafil (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: yes
Approval source: EMA & FDA (1998)
Primary target: no
Median affinity:  -
Reference (Journal): Bosentan is a substrate of human OATP1B1 and OATP1B3: inhibition of hepatic uptake as the common mechanism of its interactions with cyclosporin A, rifampicin, and sildenafil.
Published in: Drug Metab Dispos

Ligand: rifamycin SV (Natural product)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: yes
Approval source: FDA (2018)
Median affinity:  -

Ligand: glibenclamide (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: yes
Approval source: FDA (as glyburide, 1984), EMA (2018)
Median affinity:  -

Ligand: gemfibrozil (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: yes
Approval source: FDA (1993)
Median affinity:  -

Ligand: erlotinib (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: yes
Approval source: FDA (2004), EMA (2005)
Primary target: no
Median affinity: 6.28000020980835 pKi
Reference (Journal): Classification of inhibitors of hepatic organic anion transporting polypeptides (OATPs): influence of protein expression on drug-drug interactions.
Published in: J Med Chem
Target family: SLCO family of organic anion transporting polypeptides (type: transporter)
Target: OATP2A1

Ligand: [3H]PGE2 (Synthetic organic)
Interaction type: None
Action: Binding
Ligand approved: no
Primary target: no
Median affinity:  -
Reference (Journal): Mechanism of prostaglandin E2 transport across the plasma membrane of HeLa cells and Xenopus oocytes expressing the prostaglandin transporter &quot;PGT&quot;.
Published in: J Biol Chem

Ligand: bromsulphthalein (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 5.239999771118164 pKi
Reference (Journal): Identification and characterization of a prostaglandin transporter.
Published in: Science

Ligand: bromocresol green (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 5.440000057220459 pKi
Reference (Journal): Identification and characterization of a prostaglandin transporter.
Published in: Science
Target family: SLCO family of organic anion transporting polypeptides (type: transporter)
Target: OATP1C1

Ligand: taurocholic acid (Metabolite)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Median affinity:  -

Ligand: [3H]estrone-3-sulphate (Synthetic organic)
Interaction type: None
Action: None
Ligand approved: no
Median affinity:  -

Ligand: [3H]BSP (Synthetic organic)
Interaction type: None
Action: None
Ligand approved: no
Median affinity:  -

Ligand: [125I]thyroxine (Synthetic organic)
Interaction type: None
Action: None
Ligand approved: no
Median affinity:  -

Ligand: probenecid (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: yes
Approval source: FDA (1951)
Median affinity:  -

Ligand: DPDPE (Peptide)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Median affinity:  -
Target family: SLCO family of organic anion transporting polypeptides (type: transporter)
Target: OATP1B3

Ligand: [3H]estradiol-17β-glucuronide (Synthetic organic)
Interaction type: None
Action: None
Ligand approved: no
Median affinity:  -

Ligand: [3H]CCK-8 (human, mouse, rat) (Peptide)
Interaction type: None
Action: None
Ligand approved: no
Median affinity:  -

Ligand: [3H]BSP (Synthetic organic)
Interaction type: None
Action: None
Ligand approved: no
Median affinity:  -

Ligand: sildenafil (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: yes
Approval source: EMA & FDA (1998)
Primary target: no
Median affinity: 6.099999904632568 pIC50
Reference (Journal): Bosentan is a substrate of human OATP1B1 and OATP1B3: inhibition of hepatic uptake as the common mechanism of its interactions with cyclosporin A, rifampicin, and sildenafil.
Published in: Drug Metab Dispos

Ligand: rifamycin SV (Natural product)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: yes
Approval source: FDA (2018)
Median affinity:  -

Ligand: rifampicin (Natural product)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: yes
Approval source: FDA (1971)
Primary target: no
Median affinity: 5.800000190734863 pIC50
Reference (Journal): Classification of inhibitors of hepatic organic anion transporting polypeptides (OATPs): influence of protein expression on drug-drug interactions.
Published in: J Med Chem

Ligand: rifampicin (Natural product)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: yes
Approval source: FDA (1971)
Primary target: no
Median affinity: 5.800000190734863 pIC50
Reference (Journal): Bosentan is a substrate of human OATP1B1 and OATP1B3: inhibition of hepatic uptake as the common mechanism of its interactions with cyclosporin A, rifampicin, and sildenafil.
Published in: Drug Metab Dispos

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

Ligand: gemfibrozil (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: yes
Approval source: FDA (1993)
Median affinity:  -

Ligand: cyclosporin A (Peptide)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: yes
Approval source: FDA and UK (1983), EMA (2015)
Primary target: no
Median affinity: 6.099999904632568 pIC50
Reference (Journal): Bosentan is a substrate of human OATP1B1 and OATP1B3: inhibition of hepatic uptake as the common mechanism of its interactions with cyclosporin A, rifampicin, and sildenafil.
Published in: Drug Metab Dispos

Ligand: cyclosporin A (Peptide)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: yes
Approval source: FDA and UK (1983), EMA (2015)
Primary target: no
Median affinity: 6.099999904632568 pIC50
Reference (Journal): Classification of inhibitors of hepatic organic anion transporting polypeptides (OATPs): influence of protein expression on drug-drug interactions.
Published in: J Med Chem
Target family: SLCO family of organic anion transporting polypeptides (type: transporter)
Target: OATP1B1

Ligand: [3H]estrone-3-sulphate (Synthetic organic)
Interaction type: None
Action: None
Ligand approved: no
Median affinity:  -

Ligand: [3H]estradiol-17β-glucuronide (Synthetic organic)
Interaction type: None
Action: None
Ligand approved: no
Median affinity:  -

Ligand: rifamycin SV (Natural product)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: yes
Approval source: FDA (2018)
Primary target: no
Median affinity: 5.699999809265137 pKi
Reference (Journal): Interactions of rifamycin SV and rifampicin with organic anion uptake systems of human liver.
Published in: Hepatology

Ligand: rifampicin (Natural product)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: yes
Approval source: FDA (1971)
Primary target: no
Median affinity: 5.960000038146973 pKi
Reference (Journal): Classification of inhibitors of hepatic organic anion transporting polypeptides (OATPs): influence of protein expression on drug-drug interactions.
Published in: J Med Chem

Ligand: pravastatin (Synthetic organic)
Interaction type: None
Action: Binding
Ligand approved: yes
Approval source: FDA (1991)
Primary target: no
Median affinity:  -

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

Ligand: gemfibrozil (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: yes
Approval source: FDA (1993)
Primary target: no
Median affinity:  -
Reference (Journal): Substrate-dependent drug-drug interactions between gemfibrozil, fluvastatin and other organic anion-transporting peptide (OATP) substrates on OATP1B1, OATP2B1, and OATP1B3.
Published in: Drug Metab Dispos

Ligand: estrone-3-sulphate (Metabolite)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: yes
Approval source: FDA (1977)
Primary target: no
Median affinity: 7.21999979019165 pIC50
Reference (Journal): Development of a cell-based high-throughput assay to screen for inhibitors of organic anion transporting polypeptides 1B1 and 1B3.
Published in: Curr Chem Genomics

Ligand: cyclosporin A (Peptide)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: yes
Approval source: FDA and UK (1983), EMA (2015)
Primary target: no
Median affinity: 7.289999961853027 pKi
Reference (Journal): Classification of inhibitors of hepatic organic anion transporting polypeptides (OATPs): influence of protein expression on drug-drug interactions.
Published in: J Med Chem

Ligand: cyclosporin A (Peptide)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: yes
Approval source: FDA and UK (1983), EMA (2015)
Primary target: no
Median affinity: 7.289999961853027 pKi
Reference (Journal): Characterization of the transport of the bicyclic peptide phalloidin by human hepatic transport proteins.
Published in: Naunyn Schmiedebergs Arch Pharmacol
Target family: SLCO family of organic anion transporting polypeptides (type: transporter)
Target: OATP1A2

Ligand: [3H]estrone-3-sulphate (Synthetic organic)
Interaction type: None
Action: None
Ligand approved: no
Median affinity:  -

Ligand: [3H]DPDPE (Peptide)
Interaction type: None
Action: None
Ligand approved: no
Median affinity:  -

Ligand: [3H]BSP (Synthetic organic)
Interaction type: None
Action: None
Ligand approved: no
Median affinity:  -

Ligand: rifamycin SV (Natural product)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: yes
Approval source: FDA (2018)
Primary target: no
Median affinity: 4.960000038146973 pKi
Reference (Journal): Interactions of rifamycin SV and rifampicin with organic anion uptake systems of human liver.
Published in: Hepatology

Ligand: rifampicin (Natural product)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: yes
Approval source: FDA (1971)
Primary target: no
Median affinity: 4.289999961853027 pKi
Reference (Journal): Interactions of rifamycin SV and rifampicin with organic anion uptake systems of human liver.
Published in: Hepatology

Ligand: naringin (Natural product)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity:  -
Reference (Journal): Naringin is a major and selective clinical inhibitor of organic anion-transporting polypeptide 1A2 (OATP1A2) in grapefruit juice.
Published in: Clin Pharmacol Ther
Target family: SLK subfamily (type: enzyme)
Target: STE20 like kinase

Ligand: RN486 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.369999885559082 pKd
Reference (Journal): RN486, a selective Bruton's tyrosine kinase inhibitor, abrogates immune hypersensitivity responses and arthritis in rodents.
Published in: J Pharmacol Exp Ther
Target family: SLK subfamily (type: enzyme)
Target: serine/threonine kinase 10

Ligand: bosutinib (Synthetic organic)
Interaction type: Inhibitor
Action: None
Ligand approved: yes
Approval source: FDA (2012), EMA (2013)
Primary target: no
Median affinity: 7.28000020980835 pIC50
Reference (Journal): Global target profile of the kinase inhibitor bosutinib in primary chronic myeloid leukemia cells.
Published in: Leukemia

Ligand: DDR1/2 inhibitor 5n (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 8 pKd
Reference (Journal): Design, Synthesis, and Biological Evaluation of 3-(Imidazo[1,2- a]pyrazin-3-ylethynyl)-4-isopropyl- N-(3-((4-methylpiperazin-1-yl)methyl)-5-(trifluoromethyl)phenyl)benzamide as a Dual Inhibitor of Discoidin Domain Receptors 1 and 2.
Published in: J Med Chem
Target family: SLK subfamily (type: enzyme)
Target: STE20 like kinase

Ligand: danusertib (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 6.210000038146973 pIC50
Reference (Journal): 1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazoles: identification of a potent Aurora kinase inhibitor with a favorable antitumor kinase inhibition profile.
Published in: J Med Chem
Target family: SMG1 subfamily (type: enzyme)
Target: SMG1 nonsense mediated mRNA decay associated PI3K related kinase

Ligand: compound 11j [PMID: 23021994] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: yes
Median affinity: 9.960000038146973 pIC50
Reference (Journal): Identification of pyrimidine derivatives as hSMG-1 inhibitors.
Published in: Bioorg Med Chem Lett
Target family: Sodium <i>myo</i>-inositol cotransporter transporters (type: transporter)
Target: SMIT

Ligand: phlorizin (Natural product)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity:  -
Reference (Journal): Identification of a novel Na+/myo-inositol cotransporter.
Published in: J Biol Chem
Target family: Sodium <i>myo</i>-inositol cotransporter transporters (type: transporter)
Target: SGLT6

Ligand: phlorizin (Natural product)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 4.099999904632568 pKi
Reference (Journal): Identification of a novel Na+/myo-inositol cotransporter.
Published in: J Biol Chem
Target family: Sodium iodide symporter, sodium-dependent multivitamin transporter and sodium-coupled monocarboxylate transporters (type: transporter)
Target: SMCT1

Ligand: ketoprofen (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: yes
Approval source: FDA (1986)
Primary target: no
Median affinity: 3.9200000762939453 pIC50
Reference (Journal): Interaction of ibuprofen and other structurally related NSAIDs with the sodium-coupled monocarboxylate transporter SMCT1 (SLC5A8).
Published in: Pharm Res

Ligand: fenoprofen (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: yes
Approval source: FDA (1976)
Primary target: no
Median affinity: 4.570000171661377 pIC50
Reference (Journal): Interaction of ibuprofen and other structurally related NSAIDs with the sodium-coupled monocarboxylate transporter SMCT1 (SLC5A8).
Published in: Pharm Res

Ligand: ibuprofen (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: yes
Approval source: FDA (1974), EMA (2004)
Primary target: no
Median affinity: 4.199999809265137 pIC50
Reference (Journal): Interaction of ibuprofen and other structurally related NSAIDs with the sodium-coupled monocarboxylate transporter SMCT1 (SLC5A8).
Published in: Pharm Res
Target family: Sodium leak channel, non-selective  (Na<sub>Vi</sub>) (type: other_ic)
Target: Na<sub>vi</sub>2.1

Ligand: Gd3+ (Inorganic)
Interaction type: Channel blocker
Action: None
Ligand approved: no
Median affinity: 5.6 pIC50

Ligand: Co2+ (Inorganic)
Interaction type: Channel blocker
Action: None
Ligand approved: no
Median affinity: 3.6 pIC50

Ligand: verapamil (Synthetic organic)
Interaction type: Channel blocker
Action: None
Ligand approved: yes
Approval source: FDA (1981)
Median affinity: 3.4 pIC50

Ligand: Cd2+ (Inorganic)
Interaction type: Channel blocker
Action: None
Median affinity: 3.8 pIC50
Target family: Somatostatin receptors (type: gpcr)
Target: SST<sub>2</sub> receptor

Ligand: BIM 23027 (Peptide)
Interaction type: Agonist
Action: Agonist
Ligand approved: no
Primary target: no
Median affinity: 9.699999809265137 pIC50
Reference (Journal): A quantitative autoradiographical study on the distribution of somatostatin sst2 receptors in the rat central nervous system using [125I]-BIM-23027.
Published in: Neuropharmacology
Target family: Sphingolipid &Delta;<sup>4</sup>-desaturase (type: enzyme)
Target: delta 4-desaturase, sphingolipid 1

Ligand: RBM2-1B (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 4.739999771118164 pIC50
Reference (Journal): 3-Deoxy-3,4-dehydro analogs of XM462. Preparation and activity on sphingolipid metabolism and cell fate.
Published in: Bioorg Med Chem

Ligand: SKI II (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 6.519999980926514 pKi
Reference (Journal): Inhibition of dihydroceramide desaturase activity by the sphingosine kinase inhibitor SKI II.
Published in: J Lipid Res
Target family: Sphingomyelin phosphodiesterase (type: enzyme)
Target: sphingomyelin phosphodiesterase 1

Ligand: compound 21b [PMID: 31944697] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 6.489999771118164 pIC50
Reference (Journal): Discovery of Potent, Selective, and Direct Acid Sphingomyelinase Inhibitors with Antidepressant Activity.
Published in: J Med Chem

Ligand: WJYK50 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 6.320000171661377 pIC50
Reference (Journal): Discovery of N-hydroxy-3-alkoxybenzamides as direct acid sphingomyelinase inhibitors using a ligand-based pharmacophore model.
Published in: Eur J Med Chem
Target family: Sphingomyelin phosphodiesterase (type: enzyme)
Target: sphingomyelin phosphodiesterase 2

Ligand: inhibitor A [PMID: 12482429] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 5.800000190734863 pKi
Reference (Journal): Synthesis of non-competitive inhibitors of sphingomyelinases with significant activity.
Published in: Bioorg Med Chem Lett
Target family: Sphingomyelin phosphodiesterase (type: enzyme)
Target: sphingomyelin phosphodiesterase 1

Ligand: WJYK50 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 6.050000190734863 pIC50
Reference (Journal): Discovery of Potent, Selective, and Direct Acid Sphingomyelinase Inhibitors with Antidepressant Activity.
Published in: J Med Chem
Target family: Sphingomyelin synthase (type: enzyme)
Target: sphingomyelin synthase 2

Ligand: compound D24 [PMID: 24374347] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 4.909999847412109 pIC50
Reference (Journal): Identification of small molecule sphingomyelin synthase inhibitors.
Published in: Eur J Med Chem