| Drug General Information |
| Drug ID |
D0A1CM
|
| Former ID |
DNC006412
|
| Drug Name |
ELLAGIC ACID
|
| Drug Type |
Small molecular drug
|
| Indication |
Discovery agent
|
Investigative |
[1]
|
|---|
| Structure |
|
Download
2D MOL
3D MOL
|
| Formula |
C14H6O8
|
| Canonical SMILES |
C1=C2C3=C(C(=C1O)O)OC(=O)C4=CC(=C(C(=C43)OC2=O)O)O
|
| InChI |
1S/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H
|
| InChIKey |
AFSDNFLWKVMVRB-UHFFFAOYSA-N
|
| CAS Number |
CAS 476-66-4
|
| PubChem Compound ID |
|
| Target and Pathway |
| Target(s) |
Carbonic anhydrase XII |
Target Info |
Inhibitor |
[2]
|
|---|
| Heat shock protein 70 |
Target Info |
Inhibitor |
[3]
|
| Carbonic anhydrase II |
Target Info |
Inhibitor |
[2]
|
| Carbonic anhydrase XIV |
Target Info |
Inhibitor |
[2]
|
| Glycogen synthase kinase-3 beta |
Target Info |
Inhibitor |
[4]
|
| Mothers against decapentaplegic homolog 3 |
Target Info |
Inhibitor |
[3]
|
| Carbonic anhydrase VI |
Target Info |
Inhibitor |
[2]
|
| Tyrosine-protein kinase SYK |
Target Info |
Inhibitor |
[4]
|
| Carbonic anhydrase IX |
Target Info |
Inhibitor |
[2]
|
| Carbonic anhydrase I |
Target Info |
Inhibitor |
[2]
|
| Squalene monooxygenase |
Target Info |
Inhibitor |
[1]
|
| Carbonic anhydrase |
Target Info |
Inhibitor |
[2]
|
| Carbonic anhydrase IV |
Target Info |
Inhibitor |
[2]
|
| Casein kinase II, alpha chain |
Target Info |
Inhibitor |
[5]
|
|
KEGG Pathway
|
Nitrogen metabolismhsa00910:Nitrogen metabolism
|
|
Proximal tubule bicarbonate reclamation
|
|
Collecting duct acid secretion
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Gastric acid secretion
|
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Pancreatic secretion
|
|
Bile secretionhsa00910:Nitrogen metabolismhsa04012:ErbB signaling pathway
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Chemokine signaling pathway
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Cell cycle
|
|
PI3K-Akt signaling pathway
|
|
Wnt signaling pathway
|
|
Hedgehog signaling pathway
|
|
Axon guidance
|
|
Hippo signaling pathway
|
|
Focal adhesion
|
|
Signaling pathways regulating pluripotency of stem cells
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T cell receptor signaling pathway
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B cell receptor signaling pathway
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Neurotrophin signaling pathway
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Dopaminergic synapse
|
|
Insulin signaling pathway
|
|
Melanogenesis
|
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Prolactin signaling pathway
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Thyroid hormone signaling pathway
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Non-alcoholic fatty liver disease (NAFLD)
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Alzheimer's disease
|
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Hepatitis C
|
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Measles
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Influenza A
|
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HTLV-I infection
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Epstein-Barr virus infection
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Pathways in cancer
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Colorectal cancer
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Endometrial cancer
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Prostate cancer
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Basal cell carcinomahsa00910:Nitrogen metabolismhsa04064:NF-kappa B signaling pathway
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Osteoclast differentiation
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Platelet activation
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Natural killer cell mediated cytotoxicity
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Fc epsilon RI signaling pathway
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Fc gamma R-mediated phagocytosis
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Tuberculosis
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Viral carcinogenesishsa00910:Nitrogen metabolismhsa00910:Nitrogen metabolismsce00100:Steroid biosynthesis
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Sesquiterpenoid and triterpenoid biosynthesis
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Metabolic pathways
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Biosynthesis of secondary metabolites
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Biosynthesis of antibioticshsa00910:Nitrogen metabolism
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Proximal tubule bicarbonate reclamationhsa03008:Ribosome biogenesis in eukaryotes
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NF-kappa B signaling pathway
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Adherens junction
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Tight junction
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Herpes simplex infection
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NetPath Pathway
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TGF_beta_Receptor Signaling PathwayNetPath_16:IL4 Signaling Pathway
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EGFR1 Signaling PathwayNetPath_25:FSH Signaling Pathway
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PANTHER Pathway
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Alzheimer disease-presenilin pathway
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Angiogenesis
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Cadherin signaling pathway
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Hedgehog signaling pathway
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Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated pathway
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Insulin/IGF pathway-protein kinase B signaling cascade
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Interleukin signaling pathway
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PDGF signaling pathway
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PI3 kinase pathway
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Wnt signaling pathway
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Ras Pathway
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CCKR signaling map STP00010:B cell activation
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Pathway Interaction Database
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LPA receptor mediated events
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Degradation of beta catenin
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Reelin signaling pathway
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Presenilin action in Notch and Wnt signaling
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Integrin-linked kinase signaling
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CDC42 signaling events
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LKB1 signaling events
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Canonical Wnt signaling pathway
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Role of Calcineurin-dependent NFAT signaling in lymphocytes
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Glucocorticoid receptor regulatory network
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C-MYC pathway
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Regulation of Androgen receptor activity
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BMP receptor signaling
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Hedgehog signaling events mediated by Gli proteins
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Signaling events mediated by Stem cell factor receptor (c-Kit)
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Validated transcriptional targets of deltaNp63 isoforms
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Aurora A signaling
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Insulin-mediated glucose transport
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Class I PI3K signaling events mediated by Akt
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p53 pathway
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Trk receptor signaling mediated by PI3K and PLC-gammafcer1pathway:Fc-epsilon receptor I signaling in mast cells
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BCR signaling pathway
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GMCSF-mediated signaling events
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Atypical NF-kappaB pathway
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Osteopontin-mediated events
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FAS (CD95) signaling pathway
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Thromboxane A2 receptor signaling
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IL2-mediated signaling events
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Class I PI3K signaling events
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Alpha-synuclein signalinghif1_tfpathway:HIF-1-alpha transcription factor networkcmyb_pathway:C-MYB transcription factor networkbcr_5pathway:BCR signaling pathway
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DNA-PK pathway in nonhomologous end joining
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E-cadherin signaling in the nascent adherens junction
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Lissencephaly gene (LIS1) in neuronal migration and development
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PDGFR-alpha signaling pathway
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Signaling mediated by p38-alpha and p38-beta
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Alpha-synuclein signaling
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PathWhiz Pathway
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Fc Epsilon Receptor I Signaling in Mast CellsPW000565:Gastric Acid ProductionPW000050:Steroid Biosynthesis
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Reactome
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Reversible hydration of carbon dioxideR-HSA-1237044:Erythrocytes take up carbon dioxide and release oxygen
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Erythrocytes take up oxygen and release carbon dioxide
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Reversible hydration of carbon dioxideR-HSA-1475029:Reversible hydration of carbon dioxideR-HSA-195253:Degradation of beta-catenin by the destruction complex
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AKT phosphorylates targets in the cytosol
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Regulation of HSF1-mediated heat shock response
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CRMPs in Sema3A signaling
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Disassembly of the destruction complex and recruitment of AXIN to the membrane
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S33 mutants of beta-catenin aren't phosphorylated
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S37 mutants of beta-catenin aren't phosphorylated
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S45 mutants of beta-catenin aren't phosphorylated
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T41 mutants of beta-catenin aren't phosphorylated
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Degradation of GLI2 by the proteasome
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Constitutive Signaling by AKT1 E17K in CancerR-HSA-1475029:Reversible hydration of carbon dioxideR-HSA-114604:GPVI-mediated activation cascade
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FCGR activation
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Regulation of actin dynamics for phagocytic cup formation
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Role of phospholipids in phagocytosis
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DAP12 signaling
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Fc epsilon receptor (FCERI) signaling
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Role of LAT2/NTAL/LAB on calcium mobilization
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FCERI mediated MAPK activation
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FCERI mediated Ca+2 mobilization
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Integrin alphaIIb beta3 signaling
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Interleukin-2 signaling
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CLEC7A (Dectin-1) signaling
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Dectin-2 family
|
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Regulation of signaling by CBL
|
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Antigen activates B Cell Receptor (BCR) leading to generation of second messengersR-HSA-1234158:Regulation of gene expression by Hypoxia-inducible Factor
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Reversible hydration of carbon dioxideR-HSA-191273:Cholesterol biosynthesis
|
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Activation of gene expression by SREBF (SREBP)R-HSA-1237044:Erythrocytes take up carbon dioxide and release oxygen
|
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Reversible hydration of carbon dioxideR-HSA-2514853:Condensation of Prometaphase Chromosomes
|
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WikiPathways
|
Reversible Hydration of Carbon Dioxide
|
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miR-targeted genes in muscle cell - TarBase
|
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miR-targeted genes in leukocytes - TarBase
|
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miR-targeted genes in epithelium - TarBaseWP2770:Reversible Hydration of Carbon Dioxide
|
|
Uptake of Carbon Dioxide and Release of Oxygen by Erythrocytes
|
|
Uptake of Oxygen and Release of Carbon Dioxide by ErythrocytesWP2770:Reversible Hydration of Carbon DioxideWP710:DNA Damage Response (only ATM dependent)
|
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Senescence and Autophagy in Cancer
|
|
Notch Signaling Pathway
|
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Glycogen Metabolism
|
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Insulin Signaling
|
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Wnt Signaling Pathway
|
|
Wnt Signaling Pathway and Pluripotency
|
|
IL-6 signaling pathway
|
|
Wnt Signaling Pathway Netpath
|
|
Copper homeostasis
|
|
Focal Adhesion
|
|
Hair Follicle Development: Induction (Part 1 of 3)
|
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Cardiac Hypertrophic Response
|
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Degradation of beta-catenin by the destruction complex
|
|
T-Cell Receptor and Co-stimulatory Signaling
|
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Cardiac Progenitor Differentiation
|
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BDNF signaling pathway
|
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Corticotropin-releasing hormone
|
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B Cell Receptor Signaling Pathway
|
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IL17 signaling pathway
|
|
Neural Crest Differentiation
|
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Alzheimers Disease
|
|
IL-7 Signaling Pathway
|
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Regulation of Microtubule Cytoskeleton
|
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TWEAK Signaling Pathway
|
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Leptin signaling pathway
|
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Semaphorin interactions
|
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Cell Cycle
|
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MicroRNAs in cardiomyocyte hypertrophy
|
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Androgen receptor signaling pathway
|
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IL-5 Signaling PathwayWP2770:Reversible Hydration of Carbon DioxideWP49:IL-2 Signaling Pathway
|
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IL-3 Signaling Pathway
|
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Fc epsilon receptor (FCERI) signaling
|
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Signaling by the B Cell Receptor (BCR)
|
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Interleukin-2 signaling
|
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Fcgamma receptor (FCGR) dependent phagocytosis
|
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DAP12 interactions
|
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RANKL/RANK Signaling Pathway
|
|
Integrin alphaIIb beta3 signaling
|
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GPVI-mediated activation cascade
|
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Regulation of toll-like receptor signaling pathway
|
|
IL-5 Signaling PathwayWP2877:Vitamin D Receptor Pathway
|
|
Regulation of Hypoxia-inducible Factor (HIF) by OxygenWP2770:Reversible Hydration of Carbon Dioxide
|
|
Uptake of Oxygen and Release of Carbon Dioxide by ErythrocytesWP2770:Reversible Hydration of Carbon Dioxide
|
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Uptake of Oxygen and Release of Carbon Dioxide by ErythrocytesWP2652:Mitotic Prometaphase
|
|
TNF alpha Signaling Pathway
|
|
L1CAM interactions
|
| References |
| REF 1 | J Nat Prod. 2001 Aug;64(8):1010-4.Ellagitannins and hexahydroxydiphenoyl esters as inhibitors of vertebrate squalene epoxidase. |
|---|
| REF 2 | Bioorg Med Chem. 2010 Mar 15;18(6):2159-64. Epub 2010 Feb 6.Carbonic anhydrase inhibitors. Inhibition of mammalian isoforms I-XIV with a series of natural product polyphenols and phenolic acids. |
|---|
| REF 3 | Bioorg Med Chem Lett. 2010 Dec 15;20(24):7331-6. Epub 2010 Oct 21.In silico identification and biochemical evaluation of novel inhibitors of NRH:quinone oxidoreductase 2 (NQO2). |
|---|
| REF 4 | J Med Chem. 2006 Apr 20;49(8):2363-6.Identification of ellagic acid as potent inhibitor of protein kinase CK2: a successful example of a virtual screening application. |
|---|
| REF 5 | Bioorg Med Chem Lett. 2009 Jun 1;19(11):2920-3. Epub 2009 Apr 22.Structural insight into human CK2alpha in complex with the potent inhibitor ellagic acid. |
|---|
