dwb2023/gtopdb-target-family-interaction-detail huggingface dataset:
Target family: P2Y receptors (type: gpcr)
Target: P2Y<sub>6</sub> receptor

Ligand: MRS2693 (Synthetic organic)
Interaction type: Agonist
Action: Full agonist
Ligand approved: no
Primary target: no
Median affinity: 7.820000171661377 pEC50
Reference (Journal): Structure-activity relationships of uridine 5'-diphosphate analogues at the human P2Y6 receptor.
Published in: J Med Chem

Ligand: MRS2578 (Synthetic organic)
Interaction type: Antagonist
Action: Antagonist
Ligand approved: no
Primary target: no
Median affinity: 7.400000095367432 pIC50
Reference (Journal): Diisothiocyanate derivatives as potent, insurmountable antagonists of P2Y6 nucleotide receptors.
Published in: Biochem Pharmacol

Ligand: MRS2578 (Synthetic organic)
Interaction type: Antagonist
Action: Antagonist
Ligand approved: no
Median affinity: 7 pIC50
Reference (Journal): Diisothiocyanate derivatives as potent, insurmountable antagonists of P2Y6 nucleotide receptors.
Published in: Biochem Pharmacol

Ligand: MRS2567 (Synthetic organic)
Interaction type: Antagonist
Action: Antagonist
Ligand approved: no
Primary target: no
Median affinity: 6.900000095367432 pIC50
Reference (Journal): Diisothiocyanate derivatives as potent, insurmountable antagonists of P2Y6 nucleotide receptors.
Published in: Biochem Pharmacol

Ligand: MRS2567 (Synthetic organic)
Interaction type: Antagonist
Action: Antagonist
Ligand approved: no
Median affinity: 7 pIC50
Reference (Journal): Diisothiocyanate derivatives as potent, insurmountable antagonists of P2Y6 nucleotide receptors.
Published in: Biochem Pharmacol

Ligand: INS48823 (Synthetic organic)
Interaction type: Agonist
Action: Full agonist
Ligand approved: no
Median affinity: 6.9 pEC50
Reference (Journal): P2 receptors activated by uracil nucleotides--an update.
Published in: Curr Med Chem

Ligand: ADP (Metabolite)
Interaction type: Agonist
Action: Partial agonist
Ligand approved: no
Median affinity: 4.5 pEC50
Reference (Journal): Cloning, functional expression and tissue distribution of the human P2Y6 receptor.
Published in: Biochem Biophys Res Commun

Ligand: 5BrUTP (Synthetic organic)
Interaction type: Agonist
Action: Partial agonist
Ligand approved: no
Median affinity: 6.1 pEC50
Reference (Journal): Cloning, functional expression and tissue distribution of the human P2Y6 receptor.
Published in: Biochem Biophys Res Commun

Ligand: 3-phenacyl-UDP (Synthetic organic)
Interaction type: Agonist
Action: Full agonist
Ligand approved: no
Primary target: no
Median affinity: 7.199999809265137 pEC50
Reference (Journal): Synthesis and structure-activity relationships of uracil nucleotide derivatives and analogues as agonists at human P2Y2, P2Y4, and P2Y6 receptors.
Published in: J Med Chem

Ligand: 2MeSATP (Synthetic organic)
Interaction type: Agonist
Action: Partial agonist
Ligand approved: no
Median affinity: 4 pEC50
Reference (Journal): Cloning, functional expression and tissue distribution of the human P2Y6 receptor.
Published in: Biochem Biophys Res Commun
Target family: P2Y receptors (type: gpcr)
Target: P2Y<sub>13</sub> receptor

Ligand: MRS2603 (Synthetic organic)
Interaction type: Antagonist
Action: Antagonist
Ligand approved: no
Primary target: no
Median affinity: 6.179999828338623 pIC50
Reference (Journal): Synthesis of pyridoxal phosphate derivatives with antagonist activity at the P2Y13 receptor.
Published in: Biochem Pharmacol

Ligand: PPADS (Synthetic organic)
Interaction type: Antagonist
Action: Antagonist
Ligand approved: no
Median affinity: 4.9 pIC50
Reference (Journal): Pharmacological characterization of the human P2Y13 receptor.
Published in: Mol Pharmacol

Ligand: reactive blue-2 (Synthetic organic)
Interaction type: Antagonist
Action: Antagonist
Ligand approved: no
Median affinity: 5.7 pIC50
Reference (Journal): Pharmacological characterization of the human P2Y13 receptor.
Published in: Mol Pharmacol

Ligand: [33P]2MeSADP (Synthetic organic)
Interaction type: Agonist
Action: Full agonist
Ligand approved: no
Primary target: no
Median affinity: 9.600000381469727 pKd
Reference (Journal): Pharmacological characterization of the human P2Y13 receptor.
Published in: Mol Pharmacol

Ligand: suramin (Synthetic organic)
Interaction type: Antagonist
Action: Antagonist
Ligand approved: yes
Median affinity: 5.6 pIC50
Reference (Journal): Pharmacological characterization of the human P2Y13 receptor.
Published in: Mol Pharmacol
Target family: P2Y receptors (type: gpcr)
Target: P2Y<sub>1</sub> receptor

Ligand: suramin (Synthetic organic)
Interaction type: Antagonist
Action: Antagonist
Ligand approved: yes
Primary target: no
Median affinity: 5.300000190734863 pKi
Reference (Journal): Quantitation of the P2Y(1) receptor with a high affinity radiolabeled antagonist.
Published in: Mol Pharmacol

Ligand: [3H]MRS2279 (Synthetic organic)
Interaction type: Antagonist
Action: Antagonist
Ligand approved: no
Median affinity: 8.1 pKd
Reference (Journal): Quantitation of the P2Y(1) receptor with a high affinity radiolabeled antagonist.
Published in: Mol Pharmacol

Ligand: [35S]ADPβS (Synthetic organic)
Interaction type: Agonist
Action: Agonist
Ligand approved: no
Primary target: no
Median affinity:  -
Target family: P2Y receptors (type: gpcr)
Target: P2Y<sub>13</sub> receptor

Ligand: 2MeSADP (Synthetic organic)
Interaction type: Agonist
Action: Full agonist
Ligand approved: no
Primary target: no
Median affinity: 9 pIC50
Reference (Journal): Pharmacological characterization of the human P2Y13 receptor.
Published in: Mol Pharmacol

Ligand: 2MeSAMP (Synthetic organic)
Interaction type: Antagonist
Action: Antagonist
Ligand approved: no
Primary target: no
Median affinity: 5.599999904632568 pIC50
Reference (Journal): Pharmacological characterization of the human P2Y13 receptor.
Published in: Mol Pharmacol

Ligand: 2MeSATP (Synthetic organic)
Interaction type: Agonist
Action: Full agonist
Ligand approved: no
Primary target: no
Median affinity: 7.699999809265137 pIC50
Reference (Journal): Pharmacological characterization of the human P2Y13 receptor.
Published in: Mol Pharmacol

Ligand: ADP (Metabolite)
Interaction type: Agonist
Action: Full agonist
Ligand approved: no
Primary target: no
Median affinity: 6.5 pIC50
Reference (Journal): Pharmacological characterization of the human P2Y13 receptor.
Published in: Mol Pharmacol

Ligand: ADPβS (Synthetic organic)
Interaction type: Agonist
Action: Full agonist
Ligand approved: no
Primary target: no
Median affinity: 5.699999809265137 pIC50
Reference (Journal): Pharmacological characterization of the human P2Y13 receptor.
Published in: Mol Pharmacol

Ligand: Ap4A (Metabolite)
Interaction type: Antagonist
Action: Antagonist
Ligand approved: no
Primary target: no
Median affinity: 6.699999809265137 pIC50
Reference (Journal): Pharmacological characterization of the human P2Y13 receptor.
Published in: Mol Pharmacol

Ligand: ATP (Metabolite)
Interaction type: Agonist
Action: Full agonist
Ligand approved: no
Median affinity: 5.4 pIC50
Reference (Journal): Pharmacological characterization of the human P2Y13 receptor.
Published in: Mol Pharmacol

Ligand: ATPγS (Synthetic organic)
Interaction type: Agonist
Action: Full agonist
Ligand approved: no
Median affinity: 5.5 pIC50
Reference (Journal): Pharmacological characterization of the human P2Y13 receptor.
Published in: Mol Pharmacol

Ligand: cangrelor (Synthetic organic)
Interaction type: Antagonist
Action: Antagonist
Ligand approved: yes
Approval source: FDA & EMA (2015)
Primary target: no
Median affinity: 8.300000190734863 pIC50
Reference (Journal): Pharmacological characterization of the human P2Y13 receptor.
Published in: Mol Pharmacol

Ligand: MRS2211 (Synthetic organic)
Interaction type: Antagonist
Action: Antagonist
Ligand approved: no
Primary target: no
Median affinity: 5.96999979019165 pIC50
Reference (Journal): Synthesis of pyridoxal phosphate derivatives with antagonist activity at the P2Y13 receptor.
Published in: Biochem Pharmacol
Target family: p38 subfamily (type: enzyme)
Target: mitogen-activated protein kinase 13

Ligand: PF-03715455 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.639999866485596 pIC50
Reference (Journal): Design and synthesis of inhaled p38 inhibitors for the treatment of chronic obstructive pulmonary disease.
Published in: J Med Chem

Ligand: MAPK13-IN-1 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 6.210000038146973 pIC50
Reference (Journal): IL-13-induced airway mucus production is attenuated by MAPK13 inhibition.
Published in: J Clin Invest

Ligand: MAPK13-IN-1 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.079999923706055 pIC50
Reference (Patent): Anti-mucus drugs and uses therefor

Ligand: doramapimod (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 6.519999980926514 pIC50
Reference (Journal): Discovery of a novel class of non-ATP site DFG-out state p38 inhibitors utilizing computationally assisted virtual fragment-based drug design (vFBDD).
Published in: Bioorg Med Chem Lett

Ligand: compound 4e [PMID: 35546685] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 5.389999866485596 pIC50
Reference (Journal): Design, Synthesis, and Biological Characterization of Inhaled p38α/β MAPK Inhibitors for the Treatment of Lung Inflammatory Diseases.
Published in: J Med Chem
Target family: p38 subfamily (type: enzyme)
Target: mitogen-activated protein kinase 12

Ligand: doramapimod (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: yes
Median affinity: 7.519999980926514 pIC50
Reference (Journal): Discovery of a novel class of non-ATP site DFG-out state p38 inhibitors utilizing computationally assisted virtual fragment-based drug design (vFBDD).
Published in: Bioorg Med Chem Lett

Ligand: compound 4e [PMID: 35546685] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 6.03000020980835 pIC50
Reference (Journal): Design, Synthesis, and Biological Characterization of Inhaled p38α/β MAPK Inhibitors for the Treatment of Lung Inflammatory Diseases.
Published in: J Med Chem
Target family: p70 subfamily (type: enzyme)
Target: ribosomal protein S6 kinase B1

Ligand: PF-4708671 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: yes
Median affinity: 7.699999809265137 pIC50
Reference (Journal): Characterization of PF-4708671, a novel and highly specific inhibitor of p70 ribosomal S6 kinase (S6K1).
Published in: Biochem J

Ligand: rupitasertib (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 9 pIC50
Reference (Journal): M2698 is a potent dual-inhibitor of p70S6K and Akt that affects tumor growth in mouse models of cancer and crosses the blood-brain barrier.
Published in: Am J Cancer Res

Ligand: Sanofi-14h (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.119999885559082 pIC50
Reference (Journal): The hVps34-SGK3 pathway alleviates sustained PI3K/Akt inhibition by stimulating mTORC1 and tumour&#xa0;growth.
Published in: EMBO J

Ligand: compound E22 [PMID: 31298542] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 8.050000190734863 pIC50
Reference (Journal): Discovery of 3,4,6-Trisubstituted Piperidine Derivatives as Orally Active, Low hERG Blocking Akt Inhibitors via Conformational Restriction and Structure-Based Design.
Published in: J Med Chem

Ligand: GLXC-26326 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity:  -
Reference (Patent): Akt and p70 s6 kinase inhibitors

Ligand: GNE-3511 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 5.710000038146973 pIC50
Reference (Journal): Development of dihydropyridone indazole amides as selective Rho-kinase inhibitors.
Published in: J Med Chem

Ligand: LY2584702 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: yes
Median affinity: 8.399999618530273 pIC50
Reference (Journal): A phase I trial of LY2584702 tosylate, a p70 S6 kinase inhibitor, in patients with advanced solid tumours.
Published in: Eur J Cancer

Ligand: compound 1 [PMID: 20005102] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 8.149999618530273 pIC50
Reference (Journal): 2,3,5-Trisubstituted pyridines as selective AKT inhibitors. Part II: Improved drug-like properties and kinase selectivity from azaindazoles.
Published in: Bioorg Med Chem Lett
Target family: PAKA subfamily (type: enzyme)
Target: p21 (RAC1) activated kinase 2

Ligand: compound 3 [PMID: 26191365] (Synthetic organic)
Interaction type: Allosteric modulator
Action: Negative
Ligand approved: no
Primary target: no
Median affinity: 6.400000095367432 pKd
Reference (Journal): Optimization of a Dibenzodiazepine Hit to a Potent and Selective Allosteric PAK1 Inhibitor.
Published in: ACS Med Chem Lett

Ligand: compound 4 [PMID: 24432870] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 6.010000228881836 pIC50
Reference (Journal): Optimization of a Dibenzodiazepine Hit to a Potent and Selective Allosteric PAK1 Inhibitor.
Published in: ACS Med Chem Lett

Ligand: FRAX486 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.400000095367432 pIC50
Reference (Journal): Rescue of fragile X syndrome phenotypes in Fmr1 KO mice by the small-molecule PAK inhibitor FRAX486.
Published in: Proc Natl Acad Sci USA

Ligand: FRAX597 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.889999866485596 pIC50
Reference (Journal): FRAX597, a small molecule inhibitor of the p21-activated kinases, inhibits tumorigenesis of neurofibromatosis type 2 (NF2)-associated Schwannomas.
Published in: J Biol Chem

Ligand: Il-94 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.190000057220459 pIC50
Reference (Journal): PAK1: A Therapeutic Target for Cancer Treatment.
Published in: ACS Med Chem Lett

Ligand: PF-3758309 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 6.71999979019165 pIC50
Reference (Journal): Optimization of a Dibenzodiazepine Hit to a Potent and Selective Allosteric PAK1 Inhibitor.
Published in: ACS Med Chem Lett

Ligand: PQA-18 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 8 pIC50
Reference (Journal): Prenylated quinolinecarboxylic acid derivative suppresses immune response through inhibition of PAK2.
Published in: Biochem Pharmacol

Ligand: staurosporine (Natural product)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 9 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: PAKA subfamily (type: enzyme)
Target: p21 (RAC1) activated kinase 3

Ligand: compound 4 [PMID: 24432870] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 5 pIC50
Reference (Journal): Optimization of a Dibenzodiazepine Hit to a Potent and Selective Allosteric PAK1 Inhibitor.
Published in: ACS Med Chem Lett

Ligand: FRAX486 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.260000228881836 pIC50
Reference (Journal): Rescue of fragile X syndrome phenotypes in Fmr1 KO mice by the small-molecule PAK inhibitor FRAX486.
Published in: Proc Natl Acad Sci USA

Ligand: FRAX597 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.71999979019165 pIC50
Reference (Journal): FRAX597, a small molecule inhibitor of the p21-activated kinases, inhibits tumorigenesis of neurofibromatosis type 2 (NF2)-associated Schwannomas.
Published in: J Biol Chem

Ligand: PF-3758309 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7 pIC50
Reference (Journal): Optimization of a Dibenzodiazepine Hit to a Potent and Selective Allosteric PAK1 Inhibitor.
Published in: ACS Med Chem Lett
Target family: PAKB subfamily (type: enzyme)
Target: p21 (RAC1) activated kinase 4

Ligand: GSK690693 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 8 pIC50
Reference (Journal): Identification of 4-(2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-{[(3S)-3-piperidinylmethyl]oxy}-1H-imidazo[4,5-c]pyridin-4-yl)-2-methyl-3-butyn-2-ol (GSK690693), a novel inhibitor of AKT kinase.
Published in: J Med Chem
Target family: PAKB subfamily (type: enzyme)
Target: p21 (RAC1) activated kinase 5

Ligand: AMG28 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.019999980926514 pIC50
Reference (Journal): Identification and Utilization of a Chemical Probe to Interrogate the Roles of PIKfyve in the Lifecycle of &#x3b2;-Coronaviruses.
Published in: J Med Chem

Ligand: compound 4 [PMID: 24432870] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.440000057220459 pIC50
Reference (Journal): Optimization of a Dibenzodiazepine Hit to a Potent and Selective Allosteric PAK1 Inhibitor.
Published in: ACS Med Chem Lett

Ligand: GSK690693 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.28000020980835 pIC50
Reference (Journal): Identification of 4-(2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-{[(3S)-3-piperidinylmethyl]oxy}-1H-imidazo[4,5-c]pyridin-4-yl)-2-methyl-3-butyn-2-ol (GSK690693), a novel inhibitor of AKT kinase.
Published in: J Med Chem

Ligand: PF-3758309 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 6.769999980926514 pIC50
Reference (Journal): Optimization of a Dibenzodiazepine Hit to a Potent and Selective Allosteric PAK1 Inhibitor.
Published in: ACS Med Chem Lett
Target family: PAKB subfamily (type: enzyme)
Target: p21 (RAC1) activated kinase 6

Ligand: compound 4 [PMID: 24432870] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 6.900000095367432 pIC50
Reference (Journal): Optimization of a Dibenzodiazepine Hit to a Potent and Selective Allosteric PAK1 Inhibitor.
Published in: ACS Med Chem Lett
Target family: PAKB subfamily (type: enzyme)
Target: p21 (RAC1) activated kinase 4

Ligand: PF-3758309 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.820000171661377 pKi
Reference (Journal): Back pocket flexibility provides group II p21-activated kinase (PAK) selectivity for type I 1/2 kinase inhibitors.
Published in: J Med Chem
Target family: PAKB subfamily (type: enzyme)
Target: p21 (RAC1) activated kinase 6

Ligand: PF-3758309 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 6.739999771118164 pIC50
Reference (Journal): Optimization of a Dibenzodiazepine Hit to a Potent and Selective Allosteric PAK1 Inhibitor.
Published in: ACS Med Chem Lett

Ligand: AMG28 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.21999979019165 pIC50
Reference (Journal): Identification and Utilization of a Chemical Probe to Interrogate the Roles of PIKfyve in the Lifecycle of &#x3b2;-Coronaviruses.
Published in: J Med Chem

Ligand: GSK690693 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 8.220000267028809 pIC50
Reference (Journal): Identification of 4-(2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-{[(3S)-3-piperidinylmethyl]oxy}-1H-imidazo[4,5-c]pyridin-4-yl)-2-methyl-3-butyn-2-ol (GSK690693), a novel inhibitor of AKT kinase.
Published in: J Med Chem
Target family: PAKB subfamily (type: enzyme)
Target: p21 (RAC1) activated kinase 4

Ligand: AMG28 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 6.960000038146973 pIC50
Reference (Journal): Identification and Utilization of a Chemical Probe to Interrogate the Roles of PIKfyve in the Lifecycle of &#x3b2;-Coronaviruses.
Published in: J Med Chem

Ligand: compound 4 [PMID: 24432870] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 8.119999885559082 pIC50
Reference (Journal): Optimization of a Dibenzodiazepine Hit to a Potent and Selective Allosteric PAK1 Inhibitor.
Published in: ACS Med Chem Lett

Ligand: FRAX486 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 6.110000133514404 pIC50
Reference (Journal): Rescue of fragile X syndrome phenotypes in Fmr1 KO mice by the small-molecule PAK inhibitor FRAX486.
Published in: Proc Natl Acad Sci USA

Ligand: FRAX597 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 5 pIC50
Reference (Journal): FRAX597, a small molecule inhibitor of the p21-activated kinases, inhibits tumorigenesis of neurofibromatosis type 2 (NF2)-associated Schwannomas.
Published in: J Biol Chem
Target family: PASK subfamily (type: enzyme)
Target: PAS domain containing serine/threonine kinase

Ligand: PP-242 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity:  -
Reference (Journal): Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
Published in: Nat Chem Biol
Target family: PDHK family (type: enzyme)
Target: pyruvate dehydrogenase kinase 4

Ligand: VER-246608 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.039999961853027 pIC50
Reference (Journal): VER-246608, a novel pan-isoform ATP competitive inhibitor of pyruvate dehydrogenase kinase, disrupts Warburg metabolism and induces context-dependent cytostasis in cancer cells.
Published in: Oncotarget
Target family: PDHK family (type: enzyme)
Target: pyruvate dehydrogenase kinase 2

Ligand: VER-246608 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.079999923706055 pIC50
Reference (Journal): VER-246608, a novel pan-isoform ATP competitive inhibitor of pyruvate dehydrogenase kinase, disrupts Warburg metabolism and induces context-dependent cytostasis in cancer cells.
Published in: Oncotarget

Ligand: AZD7545 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 8.1899995803833 pIC50
Reference (Journal): AZD7545 is a selective inhibitor of pyruvate dehydrogenase kinase 2
Published in: Biochem Soc Trans