dwb2023/gtopdb-target-family-interaction-detail huggingface dataset:
Target family: QIK subfamily (type: enzyme)
Target: salt inducible kinase 2

Ligand: ARN-3236 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 9 pIC50
Reference (Journal): SIK inhibition in human myeloid cells modulates TLR and IL-1R signaling and induces an anti-inflammatory phenotype.
Published in: J Leukoc Biol

Ligand: bosutinib (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: yes
Approval source: FDA (2012), EMA (2013)
Primary target: no
Median affinity: 8.520000457763672 pIC50
Reference (Journal): The clinically approved drugs dasatinib and bosutinib induce anti-inflammatory macrophages by inhibiting the salt-inducible kinases.
Published in: Biochem J

Ligand: GLPG3312 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 9.149999618530273 pIC50
Reference (Journal): Optimization of Selectivity and Pharmacokinetic Properties of Salt-Inducible Kinase Inhibitors that Led to the Discovery of Pan-SIK Inhibitor GLPG3312.
Published in: J Med Chem

Ligand: GLPG3970 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity:  pIC50
Reference (Patent): Novel compounds and pharmaceutical compositions thereof for the treatment of diseases

Ligand: HG-9-91-01 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: yes
Median affinity: 8.180000305175781 pIC50
Reference (Journal): Phosphorylation of CRTC3 by the salt-inducible kinases controls the interconversion of classically activated and regulatory macrophages.
Published in: Proc Natl Acad Sci USA
Target family: QIK subfamily (type: enzyme)
Target: SIK family kinase 3

Ligand: ARN-3236 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 8.180000305175781 pIC50
Reference (Journal): SIK inhibition in human myeloid cells modulates TLR and IL-1R signaling and induces an anti-inflammatory phenotype.
Published in: J Leukoc Biol

Ligand: bosutinib (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: yes
Approval source: FDA (2012), EMA (2013)
Primary target: no
Median affinity: 7.739999771118164 pIC50
Reference (Journal): The clinically approved drugs dasatinib and bosutinib induce anti-inflammatory macrophages by inhibiting the salt-inducible kinases.
Published in: Biochem J

Ligand: dasatinib (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: yes
Approval source: FDA & EMA (2006)
Primary target: no
Median affinity: 8 pIC50
Reference (Journal): The clinically approved drugs dasatinib and bosutinib induce anti-inflammatory macrophages by inhibiting the salt-inducible kinases.
Published in: Biochem J

Ligand: GLPG3312 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 9.220000267028809 pIC50
Reference (Journal): Optimization of Selectivity and Pharmacokinetic Properties of Salt-Inducible Kinase Inhibitors that Led to the Discovery of Pan-SIK Inhibitor GLPG3312.
Published in: J Med Chem

Ligand: GLPG3970 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity:  pIC50
Reference (Patent): Novel compounds and pharmaceutical compositions thereof for the treatment of diseases

Ligand: HG-9-91-01 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: yes
Median affinity: 8.020000457763672 pIC50
Reference (Journal): Phosphorylation of CRTC3 by the salt-inducible kinases controls the interconversion of classically activated and regulatory macrophages.
Published in: Proc Natl Acad Sci USA
Target family: R4 family (type: other_protein)
Target: regulator of G-protein signaling 8

Ligand: CCG-203920 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 4.440000057220459 pIC50
Reference (Journal): Small Molecule Inhibitors of Regulator of G Protein Signalling (RGS) Proteins.
Published in: ACS Med Chem Lett

Ligand: CCG-50014 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 4.960000038146973 pIC50
Reference (Journal): Small Molecule Inhibitors of Regulator of G Protein Signalling (RGS) Proteins.
Published in: ACS Med Chem Lett

Ligand: CCG-50014 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 4.960000038146973 pIC50
Reference (Journal): Differential Protein Dynamics of Regulators of G-Protein Signaling: Role in Specificity of Small-Molecule Inhibitors.
Published in: J Am Chem Soc

Ligand: CCG-50014 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 4.960000038146973 pIC50
Reference (Journal): An Interhelical Salt Bridge Controls Flexibility and Inhibitor Potency for Regulators of G-protein Signaling Proteins 4, 8, and 19.
Published in: Mol Pharmacol

Ligand: CCG-50014 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 4.960000038146973 pIC50
Reference (Journal): A nanomolar-potency small molecule inhibitor of regulator of G-protein signaling proteins.
Published in: Biochemistry

Ligand: RGS4 inhibitor 11b (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 4.079999923706055 pIC50
Reference (Journal): Small Molecule Inhibitors of Regulator of G Protein Signalling (RGS) Proteins.
Published in: ACS Med Chem Lett
Target family: R4 family (type: other_protein)
Target: regulator of G-protein signaling 4

Ligand: YJ34 (Peptide)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity:  pIC50
Reference (Journal): Mechanism of action and structural requirements of constrained peptide inhibitors of RGS proteins.
Published in: Chem Biol Drug Des

Ligand: (4Z)-1-(3-fluorophenyl)-4-(2-oxo-1H-indol-3-ylidene)pyrazolidine-3,5-dione (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 5.090000152587891 pIC50
Reference (Journal): Reversible inhibitors of regulators of G-protein signaling identified in a high-throughput cell-based calcium signaling assay.
Published in: Cell Signal

Ligand: (5E)-1-(4-fluorophenyl)-5-[(5-methylthiophen-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 4.739999771118164 pIC50
Reference (Journal): Reversible inhibitors of regulators of G-protein signaling identified in a high-throughput cell-based calcium signaling assay.
Published in: Cell Signal

Ligand: 5nd (Peptide)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 4.550000190734863 pIC50
Reference (Journal): A covalent peptide inhibitor of RGS4 identified in a focused one-bead, one compound library screen.
Published in: BMC Pharmacol

Ligand: CCG-203920 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: yes
Median affinity: 7.269999980926514 pIC50
Reference (Journal): Small Molecule Inhibitors of Regulator of G Protein Signalling (RGS) Proteins.
Published in: ACS Med Chem Lett

Ligand: (5Z)-1-(2-fluorophenyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-diazinane-4,6-dione (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 4.559999942779541 pIC50
Reference (Journal): Reversible inhibitors of regulators of G-protein signaling identified in a high-throughput cell-based calcium signaling assay.
Published in: Cell Signal
Target family: RAB subfamily (type: enzyme)
Target: RAB27A, member RAS oncogene family

Ligand: Nexinhib20 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: yes
Median affinity: 5.590000152587891 pIC50
Reference (Journal): Identification of Neutrophil Exocytosis Inhibitors (Nexinhibs), Small Molecule Inhibitors of Neutrophil Exocytosis and Inflammation: DRUGGABILITY OF THE SMALL GTPase Rab27a.
Published in: J Biol Chem
Target family: RAF family (type: enzyme)
Target: A-Raf proto-oncogene, serine/threonine kinase

Ligand: LY3009120 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.360000133514404 pIC50
Reference (Journal): Inhibition of RAF Isoforms and Active Dimers by LY3009120 Leads to Anti-tumor Activities in RAS or BRAF Mutant Cancers.
Published in: Cancer Cell
Target family: RAF family (type: enzyme)
Target: A-Raf proto-oncogene, serine/threonine kinase

Ligand: lifirafenib (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 8.25 pIC50
Reference (Journal): BGB-283, a Novel RAF Kinase and EGFR Inhibitor, Displays Potent Antitumor Activity in BRAF-Mutated Colorectal Cancers.
Published in: Mol Cancer Ther

Ligand: exarafenib (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 8.619999885559082 pIC50
Reference (Journal): The Discovery of Exarafenib (KIN-2787): Overcoming the Challenges of Pan-RAF Kinase Inhibition
Published in: J Med Chem
Target family: RAS subfamily (type: enzyme)
Target: KRAS

Ligand: adagrasib (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: yes
Approval source: FDA (2022)
Primary target: no
Median affinity: 5.429999828338623 pKi
Reference (Journal): Identification of the Clinical Development Candidate <b>MRTX849</b>, a Covalent KRAS<sup>G12C</sup> Inhibitor for the Treatment of Cancer.
Published in: J Med Chem
Target family: RAS subfamily (type: enzyme)
Target: HRAS

Ligand: lonafarnib (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: yes
Approval source: FDA (2020), EMA (2022)
Primary target: no
Median affinity: 8.720000267028809 pIC50
Reference (Journal): Antitumor activity of SCH 66336, an orally bioavailable tricyclic inhibitor of farnesyl protein transferase, in human tumor xenograft models and wap-ras transgenic mice.
Published in: Cancer Res
Target family: RAS subfamily (type: enzyme)
Target: NRAS

Ligand: lonafarnib (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: yes
Approval source: FDA (2020), EMA (2022)
Primary target: no
Median affinity: 8.550000190734863 pIC50
Reference (Journal): Antitumor activity of SCH 66336, an orally bioavailable tricyclic inhibitor of farnesyl protein transferase, in human tumor xenograft models and wap-ras transgenic mice.
Published in: Cancer Res
Target family: Receptor interacting protein kinase (RIPK) family (type: enzyme)
Target: receptor interacting serine/threonine kinase 2

Ligand: AS3334034 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity:  -
Reference (Journal): Renoprotective Effects of a Novel Receptor-Interacting Protein Kinase 2 Inhibitor, AS3334034, in Uninephrectomized Adriamycin-Induced Chronic Kidney Disease Rats.
Published in: J Pharmacol Exp Ther
Target family: Receptor interacting protein kinase (RIPK) family (type: enzyme)
Target: receptor interacting serine/threonine kinase 3

Ligand: TAK-632 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 6.980000019073486 pKd
Reference (Journal): Identification of the Raf kinase inhibitor TAK-632 and its analogues as potent inhibitors of necroptosis by targeting RIPK1 and RIPK3.
Published in: Br J Pharmacol

Ligand: SZM679 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 5.300000190734863 pKd
Reference (Journal): Discovery of a Trifluoromethoxy Cyclopentanone Benzothiazole Receptor-Interacting Protein Kinase 1 Inhibitor as the Treatment for Alzheimer's Disease.
Published in: J Med Chem

Ligand: SZM594 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.110000133514404 pKd
Reference (Journal): Identification of the Raf kinase inhibitor TAK-632 and its analogues as potent inhibitors of necroptosis by targeting RIPK1 and RIPK3.
Published in: Br J Pharmacol

Ligand: RIPK3 inhibitor 42 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: yes
Median affinity: 7.090000152587891 pKd
Reference (Journal): <i>N</i>-(7-Cyano-6-(4-fluoro-3-(2-(3-(trifluoromethyl)phenyl)acetamido)phenoxy)benzo[<i>d</i>]thiazol-2-yl)cyclopropanecarboxamide (TAK-632) Analogues as Novel Necroptosis Inhibitors by Targeting Receptor-Interacting Protein Kinase 3 (RIPK3): Synthesis, Structure-Activity Relationships, and in Vivo Efficacy.
Published in: J Med Chem

Ligand: RIPK3 inhibitor 18 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: yes
Median affinity: 8.039999961853027 pIC50
Reference (Journal): Identification of RIPK3 Type II Inhibitors Using High-Throughput Mechanistic Studies in Hit Triage
Published in: ACS Med Chem Lett

Ligand: RIPK1 inhibitor 22b (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 5.139999866485596 pKd
Reference (Journal): Identification of 5-(2,3-Dihydro-1 H-indol-5-yl)-7 H-pyrrolo[2,3- d]pyrimidin-4-amine Derivatives as a New Class of Receptor-Interacting Protein Kinase 1 (RIPK1) Inhibitors, Which Showed Potent Activity in a Tumor Metastasis Model.
Published in: J Med Chem

Ligand: ponatinib (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: yes
Approval source: FDA (2012), EMA (2013)
Primary target: no
Median affinity: 8.800000190734863 pKi
Reference (Journal): Structure guided design of potent and selective ponatinib-based hybrid inhibitors for RIPK1.
Published in: Cell Rep

Ligand: AZD5423 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity:  -
Reference (Journal): RIPK3 inhibitor-AZD5423 alleviates acute kidney injury by inhibiting necroptosis and inflammation.
Published in: Int Immunopharmacol
Target family: Receptor tyrosine phosphatase (RTP) family (type: catalytic_receptor)
Target: RTP Type B

Ligand: compound 13e [PMID: 16759857] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.150000095367432 pIC50
Reference (Journal): Design and synthesis of potent, non-peptidic inhibitors of HPTPbeta.
Published in: Bioorg Med Chem Lett
Target family: Receptor tyrosine phosphatase (RTP) family (type: catalytic_receptor)
Target: RTP Type S

Ligand: compound 7b [Haftchenary et al., 2013] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 5.440000057220459 pIC50
Reference (Journal): Identification of a potent salicylic acid-based inhibitor of tyrosine phosphatase PTP1B
Published in: Medchemcomm

Ligand: 7-BIA (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 4.400000095367432 pIC50
Reference (Journal): High expression of the chemokine receptor CCR3 in human blood basophils. Role in activation by eotaxin, MCP-4, and other chemokines.
Published in: J Clin Invest
Target family: Receptor tyrosine phosphatase (RTP) family (type: catalytic_receptor)
Target: RTP Type M

Ligand: compound 8a [PMID: 23713581] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 5.150000095367432 pIC50
Reference (Journal): A potent and selective small-molecule inhibitor for the lymphoid-specific tyrosine phosphatase (LYP), a target associated with autoimmune diseases.
Published in: J Med Chem
Target family: Receptor tyrosine phosphatase (RTP) family (type: catalytic_receptor)
Target: RTP Type G

Ligand: compound 1 [PMID: 21882820] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 5.599999904632568 pKi
Reference (Journal): Small molecule receptor protein tyrosine phosphatase γ (RPTPγ) ligands that inhibit phosphatase activity via perturbation of the tryptophan-proline-aspartate (WPD) loop.
Published in: J Med Chem
Target family: Receptor tyrosine phosphatase (RTP) family (type: catalytic_receptor)
Target: RTP Type F

Ligand: illudalic acid (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 5.889999866485596 pIC50
Reference (Journal): Illudalic acid as a potential LAR inhibitor: synthesis, SAR, and preliminary studies on the mechanism of action.
Published in: Bioorg Med Chem
Target family: Receptor tyrosine phosphatase (RTP) family (type: catalytic_receptor)
Target: RTP Type D

Ligand: 7-BIA (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: yes
Median affinity:  pIC50
Reference (Journal): Cocaine reward is reduced by decreased expression of receptor-type protein tyrosine phosphatase D (PTPRD) and by a novel PTPRD antagonist.
Published in: Proc Natl Acad Sci USA
Target family: Receptor tyrosine phosphatase (RTP) family (type: catalytic_receptor)
Target: RTP Type B

Ligand: razuprotafib (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 6.150000095367432 pIC50
Reference (Patent): Compositions and methods for treating ocular diseases
Target family: Relaxin family peptide receptors (type: gpcr)
Target: RXFP2

Ligand: [33P]relaxin (human) (Peptide)
Interaction type: Agonist
Action: Full agonist
Ligand approved: no
Median affinity:  pKd
Reference (Journal): H3 relaxin is a specific ligand for LGR7 and activates the receptor by interacting with both the ectodomain and the exoloop 2.
Published in: J Biol Chem

Ligand: [33P]relaxin (human) (Peptide)
Interaction type: Agonist
Action: Full agonist
Ligand approved: no
Median affinity:  pKd
Reference (Journal): Multiple binding sites revealed by interaction of relaxin family peptides with native and chimeric relaxin family peptide receptors 1 and 2 (LGR7 and LGR8).
Published in: J Pharmacol Exp Ther

Ligand: TamRLX (Peptide)
Interaction type: Agonist
Action: Agonist
Ligand approved: no
Primary target: no
Median affinity:  -
Reference (Journal): Multi-Component Mechanism of H2 Relaxin Binding to RXFP1 through NanoBRET Kinetic Analysis.
Published in: iScience
Target family: Repulsive guidance molecules (type: other_protein)
Target: repulsive guidance molecule BMP co-receptor a

Ligand: elezanumab (Antibody)
Interaction type: Antibody
Action: Binding
Ligand approved: no
Primary target: yes
Median affinity:  -
Reference (Patent): Composition and method for diagnosis and treatment of diseases associated with neurite degeneration
Target family: Reticulons and associated proteins (type: other_protein)
Target: leucine rich repeat and Ig domain containing 1

Ligand: opicinumab (Antibody)
Interaction type: Antibody
Action: Binding
Ligand approved: no
Primary target: yes
Median affinity: 9.960000038146973 pEC50
Reference (Patent): Composition comprising antibodies to LINGO or fragments thereof.
Target family: Reticulons and associated proteins (type: other_protein)
Target: reticulon 4

Ligand: ozanezumab (Antibody)
Interaction type: Antibody
Action: Binding
Ligand approved: no
Primary target: yes
Median affinity: 9.1899995803833 pKd
Reference (Patent): Immunoglobulins.
Target family: Rho GEFs (type: other_protein)
Target: SOS Ras/Rac guanine nucleotide exchange factor 1

Ligand: BAY-293 (Synthetic organic)
Interaction type: None
Action: Binding
Ligand approved: no
Primary target: no
Median affinity: 7.679999828338623 pIC50
Reference (Journal): Discovery of potent SOS1 inhibitors that block RAS activation via disruption of the RAS-SOS1 interaction.
Published in: Proc Natl Acad Sci USA

Ligand: BI-3406 (Synthetic organic)
Interaction type: None
Action: Binding
Ligand approved: no
Primary target: no
Median affinity: 8.010000228881836 pKi
Reference (Journal): BI-3406, a Potent and Selective SOS1-KRAS Interaction Inhibitor, Is Effective in KRAS-Driven Cancers through Combined MEK Inhibition.
Published in: Cancer Discov

Ligand: compound 37 [PMID: 36384290] (Synthetic organic)
Interaction type: None
Action: Binding
Ligand approved: no
Primary target: no
Median affinity: 8.300000190734863 pIC50
Reference (Journal): Design and Structural Optimization of Orally Bioavailable SOS1 Inhibitors for the Treatment of KRAS-Driven Carcinoma.
Published in: J Med Chem

Ligand: MRTX0902 (Synthetic organic)
Interaction type: None
Action: Binding
Ligand approved: no
Primary target: no
Median affinity: 8.720000267028809 pKi
Reference (Journal): Design and Discovery of MRTX0902, a Potent, Selective, Brain-Penetrant, and Orally Bioavailable Inhibitor of the SOS1:KRAS Protein-Protein Interaction.
Published in: J Med Chem

Ligand: SOS1 PROTAC 9d (Synthetic organic)
Interaction type: Agonist
Action: Agonist
Ligand approved: no
Primary target: no
Median affinity: 7.360000133514404 pKd
Reference (Journal): Discovery and Structure-Based Optimization of Benzimidazole-Derived Activators of SOS1-Mediated Nucleotide Exchange on RAS.
Published in: J Med Chem