Showing entry for Caffeic acid ester


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0002906
Compound NameCaffeic acid ester
Structure
FormulaC17H16O4
InchiKeySWUARLUWKZWEBQ-VQHVLOKHSA-N
SMILES[H]\C(=C(\[H])C1=CC(O)=C(O)C=C1)C(=O)OCCC1=CC=CC=C1
InchiInChI=1S/C17H16O4/c18-15-8-6-14(12-16(15)19)7-9-17(20)21-11-10-13-4-2-1-3-5-13/h1-9,12,18-19H,10-11H2/b9-7+
IUPAC2-phenylethyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Molecular Weight284.31
Pubchem Id5281787
Chembl IdCHEMBL319244
Targets of Information Source
DrugBank n.a
Uniport Id BXGT Id Protein Name Status Protein Class Gene Groups Target Type
Uniport Id BXGT Id Protein Name Status Protein Class Gene Groups Target Type
PDB QAP
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM Ka M-1
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM Ka M-1
Q672W7 BXGT016174 Peptide deformylase unreviewed def - - - - -
O60218 BXGT004858 Aldo-keto reductase family 1 member B10 reviewed AKR1B10 Enzyme - - - -
P02766 BXGT005953 Transthyretin reviewed TTR Transporter - - - -
P42330 BXGT010301 Aldo-keto reductase family 1 member C3 reviewed AKR1C3 Enzyme - - - -
Binding DB 50029207
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM EC50 nM
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM EC50 nM
reviewed BXGT004858 Aldo-keto reductase family 1 member B10 reviewed Enzyme AKR1B10 - 80 - -
reviewed BXGT004858 Aldo-keto reductase family 1 member B10 reviewed Enzyme AKR1B10 46 - - -
reviewed BXGT005953 Transthyretin reviewed Transporter TTR - - - 8600
reviewed BXGT008083 Aldo-keto reductase family 1 member B1 reviewed Enzyme AKR1B1 - 570 - -
reviewed BXGT008837 Prostaglandin G/H synthase 1 reviewed Enzyme PTGS1 - 58000 - -
reviewed BXGT009816 Prostaglandin G/H synthase 2 reviewed Enzyme PTGS2 - 82000 - -
reviewed BXGT010301 Aldo-keto reductase family 1 member C3 reviewed Enzyme AKR1C3 - 1700 - -
reviewed BXGT008313 Aldo-keto reductase family 1 member C4 reviewed Enzyme AKR1C4 - 2300 - -
reviewed BXGT012787 Aldo-keto reductase family 1 member C1 reviewed Enzyme AKR1C1 - 13000 - -
reviewed BXGT010961 Aldo-keto reductase family 1 member C2 reviewed Enzyme AKR1C2 - 6000 - -
CHEMBL CHEMBL319244
Uniport Id BXGT Id Protein Name Status Protein Class Gene width="10%">Type Relation value Units
Uniport Id BXGT Id Protein Name Status Protein Class Gene Type Relation value Units
P00352 BXGT005510 Retinal dehydrogenase 1 reviewed Enzyme ALDH1A1 Potency '=' 39810 nM
P21554 BXGT008662 Cannabinoid receptor 1 reviewed G-protein coupled receptor CNR1 IC50 - - -
P11509 BXGT007716 Cytochrome P450 2A6 reviewed - CYP2A6 IC50 - - -
Q16539 BXGT013634 Mitogen-activated protein kinase 14 reviewed Kinase MAPK14 Ki - - -
P54132 BXGT011032 Bloom syndrome protein reviewed - BLM Potency '=' 28183 nM
P29274 BXGT009327 Adenosine receptor A2a reviewed G-protein coupled receptor ADORA2A Ki - - -
P25929 BXGT009078 Neuropeptide Y receptor type 1 reviewed G-protein coupled receptor NPY1R IC50 - - -
P00533 BXGT005575 Epidermal growth factor receptor reviewed Kinase EGFR IC50 '=' 1005 nM
P19327 BXGT008472 5-hydroxytryptamine receptor 1A reviewed - Htr1a IC50 - - -
P25103 BXGT009020 Substance-P receptor reviewed G-protein coupled receptor TACR1 IC50 - - -
P25103 BXGT009020 Substance-P receptor reviewed G-protein coupled receptor TACR1 Ki - - -
P21452 BXGT008653 Substance-K receptor reviewed G-protein coupled receptor TACR2 IC50 - - -
P15207 BXGT008096 Androgen receptor reviewed - Ar IC50 - - -
P18089 BXGT008379 Alpha-2B adrenergic receptor reviewed G-protein coupled receptor ADRA2B IC50 - - -
P23975 BXGT008935 Sodium-dependent noradrenaline transporter reviewed Transporter SLC6A2 IC50 '=' 3787 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 6309 nM
P30542 BXGT009436 Adenosine receptor A1 reviewed G-protein coupled receptor ADORA1 Ki - - -
P29274 BXGT009327 Adenosine receptor A2a reviewed G-protein coupled receptor ADORA2A IC50 - - -
P0DMS8 BXGT007506 Adenosine receptor A3 reviewed G-protein coupled receptor ADORA3 IC50 - - -
P43140 BXGT010360 Alpha-1A adrenergic receptor reviewed - Adra1a Ki - - -
P10635 BXGT007595 Cytochrome P450 2D6 reviewed - CYP2D6 IC50 - - -
P14780 BXGT008053 Matrix metalloproteinase-9 reviewed Enzyme MMP9 IC50 - - -
P42345 BXGT010304 Serine/threonine-protein kinase mTOR reviewed Kinase MTOR Potency '=' 3288 nM
O97447 BXGT005436 Putative fructose-1,6-bisphosphate aldolase unreviewed - ald Potency '=' 17740 nM
P25100 BXGT009017 Alpha-1D adrenergic receptor reviewed G-protein coupled receptor ADRA1D Ki - - -
Q9Y6L6 BXGT022334 Solute carrier organic anion transporter family member 1B1 reviewed Transporter SLCO1B1 Inhibition '=' 254 %
P21728 BXGT008686 D(1A) dopamine receptor reviewed G-protein coupled receptor DRD1 IC50 - - -
P03372 BXGT006059 Estrogen receptor reviewed Nuclear receptor ESR1 Ki '=' 2260 nM
P32245 BXGT009614 Melanocortin receptor 4 reviewed G-protein coupled receptor MC4R Ki - - -
P08912 BXGT006840 Muscarinic acetylcholine receptor M5 reviewed G-protein coupled receptor CHRM5 Ki - - -
P15207 BXGT008096 Androgen receptor reviewed - Ar Ki - - -
P25929 BXGT009078 Neuropeptide Y receptor type 1 reviewed G-protein coupled receptor NPY1R Ki - - -
P41143 BXGT010223 Delta-type opioid receptor reviewed G-protein coupled receptor OPRD1 IC50 - - -
P21728 BXGT008686 D(1A) dopamine receptor reviewed G-protein coupled receptor DRD1 Ki - - -
Q16236 BXGT013624 Nuclear factor erythroid 2-related factor 2 reviewed Enzyme NFE2L2 Potency - 14125 nM
P07943 BXGT006700 Aldo-keto reductase family 1 member B1 reviewed - Akr1b1 IC50 '=' 1414 nM
P07943 BXGT006700 Aldo-keto reductase family 1 member B1 reviewed - Akr1b1 Ki - - -
P83916 BXGT012025 Chromobox protein homolog 1 reviewed Epigenetic regulator CBX1 Potency - 44668 nM
P35372 BXGT009823 Mu-type opioid receptor reviewed G-protein coupled receptor OPRM1 Ki - - -
P03956 BXGT006120 Interstitial collagenase reviewed Enzyme MMP1 Ki - - -
P06239 BXGT006427 Tyrosine-protein kinase Lck reviewed Kinase LCK IC50 '=' 2887 nM
A6XA80 BXGT001522 Leukotriene C4 synthase reviewed - LTC4S IC50 - - -
P11229 BXGT007676 Muscarinic acetylcholine receptor M1 reviewed G-protein coupled receptor CHRM1 IC50 - - -
P29477 BXGT009355 Nitric oxide synthase, inducible reviewed - Nos2 Ki - - -
P52895 BXGT010961 Aldo-keto reductase family 1 member C2 reviewed Enzyme AKR1C2 IC50 '=' 6000 nM
Q08874 BXGT013011 Microphthalmia-associated transcription factor reviewed - Mitf Inhibition - - -
P28564 BXGT009272 5-hydroxytryptamine receptor 1B reviewed - Htr1b Ki - - -
O70528 BXGT005068 5-hydroxytryptamine receptor 4 reviewed - HTR4 Ki - - -
P24557 BXGT008976 Thromboxane-A synthase reviewed - TBXAS1 Ki - - -
O94782 BXGT005332 Ubiquitin carboxyl-terminal hydrolase 1 reviewed Enzyme USP1 Potency - 44668 nM
Q03164 BXGT012700 Histone-lysine N-methyltransferase 2A reviewed - KMT2A Potency '=' 25118 nM
O00255 BXGT003903 Menin reviewed - MEN1 Potency '=' 25118 nM
P02766 BXGT005953 Transthyretin reviewed Transporter TTR Activity - - -
P23219 BXGT008837 Prostaglandin G/H synthase 1 reviewed Enzyme PTGS1 IC50 '=' 58000 nM
Q04828 BXGT012787 Aldo-keto reductase family 1 member C1 reviewed Enzyme AKR1C1 IC50 '=' 13000 nM
P41595 BXGT010267 5-hydroxytryptamine receptor 2B reviewed G-protein coupled receptor HTR2B IC50 - - -
P31645 BXGT009558 Sodium-dependent serotonin transporter reviewed Transporter SLC6A4 IC50 - - -
P51681 BXGT010878 C-C chemokine receptor type 5 reviewed G-protein coupled receptor CCR5 Ki - - -
P33261 BXGT009707 Cytochrome P450 2C19 reviewed - CYP2C19 IC50 - - -
O60218 BXGT004858 Aldo-keto reductase family 1 member B10 reviewed Enzyme AKR1B10 Ki '=' 46 nM
P43220 BXGT010367 Glucagon-like peptide 1 receptor reviewed G-protein coupled receptor GLP1R Potency - 11220 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency '=' 5011 nM
P41595 BXGT010267 5-hydroxytryptamine receptor 2B reviewed G-protein coupled receptor HTR2B Ki - - -
P28223 BXGT009239 5-hydroxytryptamine receptor 2A reviewed G-protein coupled receptor HTR2A Ki - - -
P06239 BXGT006427 Tyrosine-protein kinase Lck reviewed Kinase LCK Ki - - -
P28335 BXGT009255 5-hydroxytryptamine receptor 2C reviewed G-protein coupled receptor HTR2C Ki - - -
P50406 BXGT010796 5-hydroxytryptamine receptor 6 reviewed G-protein coupled receptor HTR6 Ki - - -
P31645 BXGT009558 Sodium-dependent serotonin transporter reviewed Transporter SLC6A4 Ki - - -
P02545 BXGT005889 Prelamin-A/C reviewed - LMNA Potency '=' 2818 nM
Q76353 BXGT016849 Integrase unreviewed - IC50 '>' 100000 nM
P15121 BXGT008083 Aldo-keto reductase family 1 member B1 reviewed Enzyme AKR1B1 IC50 '=' 570 nM
P35462 BXGT009835 D(3) dopamine receptor reviewed G-protein coupled receptor DRD3 IC50 - - -
P35462 BXGT009835 D(3) dopamine receptor reviewed G-protein coupled receptor DRD3 Ki - - -
P25100 BXGT009017 Alpha-1D adrenergic receptor reviewed G-protein coupled receptor ADRA1D IC50 - - -
P25024 BXGT009005 C-X-C chemokine receptor type 1 reviewed G-protein coupled receptor CXCR1 Ki - - -
P23219 BXGT008837 Prostaglandin G/H synthase 1 reviewed Enzyme PTGS1 IC50 '=' 833 nM
P15823 BXGT008160 Alpha-1B adrenergic receptor reviewed - Adra1b Ki - - -
O70528 BXGT005068 5-hydroxytryptamine receptor 4 reviewed - HTR4 IC50 - - -
P50406 BXGT010796 5-hydroxytryptamine receptor 6 reviewed G-protein coupled receptor HTR6 IC50 - - -
Q9Y253 BXGT022216 DNA polymerase eta reviewed - POLH Potency - 44668 nM
Q7ZJM1 BXGT017268 Integrase unreviewed - pol IC50 '=' 7079 nM
Q16637 BXGT013646 Survival motor neuron protein reviewed Epigenetic regulator SMN1 Potency '=' 15848 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 3162 nM
P03372 BXGT006059 Estrogen receptor reviewed Nuclear receptor ESR1 IC50 '=' 7912 nM
P25101 BXGT009018 Endothelin-1 receptor reviewed G-protein coupled receptor EDNRA IC50 - - -
P04035 BXGT006129 3-hydroxy-3-methylglutaryl-coenzyme A reductase reviewed - HMGCR IC50 - - -
P15127 BXGT008085 Insulin receptor reviewed - Insr IC50 - - -
Q9Y271 BXGT022222 Cysteinyl leukotriene receptor 1 reviewed G-protein coupled receptor CYSLTR1 Ki - - -
P41968 BXGT010275 Melanocortin receptor 3 reviewed G-protein coupled receptor MC3R IC50 - - -
P33032 BXGT009689 Melanocortin receptor 5 reviewed G-protein coupled receptor MC5R IC50 - - -
P08173 BXGT006738 Muscarinic acetylcholine receptor M4 reviewed G-protein coupled receptor CHRM4 Ki - - -
P29477 BXGT009355 Nitric oxide synthase, inducible reviewed - Nos2 IC50 - - -
Q194T2 BXGT013743 Non-structural protein 1 unreviewed - NS1 Potency '=' 5011 nM
P37840 BXGT010015 Alpha-synuclein reviewed Transporter SNCA Potency - 5173 nM
P20781 BXGT008598 Glycine receptor subunit beta reviewed - Glrb IC50 - - -
P07727 BXGT006662 Glycine receptor subunit alpha-1 reviewed - Glra1 IC50 - - -
P24524 BXGT008974 Glycine receptor subunit alpha-3 reviewed - Glra3 IC50 - - -
P22771 BXGT008806 Glycine receptor subunit alpha-2 reviewed - Glra2 IC50 - - -
P35367 BXGT009821 Histamine H1 receptor reviewed G-protein coupled receptor HRH1 IC50 - - -
Q9Y271 BXGT022222 Cysteinyl leukotriene receptor 1 reviewed G-protein coupled receptor CYSLTR1 IC50 - - -
P21397 BXGT008644 Amine oxidase [flavin-containing] A reviewed - MAOA Ki - - -
P29476 BXGT009354 Nitric oxide synthase, brain reviewed - Nos1 IC50 - - -
P29476 BXGT009354 Nitric oxide synthase, brain reviewed - Nos1 Ki - - -
P29466 BXGT009349 Caspase-1 reviewed Enzyme CASP1 IC50 - - -
P0A6C1 BXGT007045 Endonuclease 4 reviewed - nfo Potency '=' 25118 nM
P03956 BXGT006120 Interstitial collagenase reviewed Enzyme MMP1 IC50 - - -
P06241 BXGT006429 Tyrosine-protein kinase Fyn reviewed Kinase FYN Ki - - -
Q96QE3 BXGT019718 ATPase family AAA domain-containing protein 5 reviewed - ATAD5 Potency - 20587 nM
P32245 BXGT009614 Melanocortin receptor 4 reviewed G-protein coupled receptor MC4R IC50 - - -
P08172 BXGT006737 Muscarinic acetylcholine receptor M2 reviewed G-protein coupled receptor CHRM2 IC50 - - -
P49146 BXGT010681 Neuropeptide Y receptor type 2 reviewed G-protein coupled receptor NPY2R IC50 - - -
P35372 BXGT009823 Mu-type opioid receptor reviewed G-protein coupled receptor OPRM1 IC50 - - -
P08246 BXGT006756 Neutrophil elastase reviewed Enzyme ELANE IC50 - - -
P18825 BXGT008426 Alpha-2C adrenergic receptor reviewed G-protein coupled receptor ADRA2C IC50 - - -
P00918 BXGT005690 Carbonic anhydrase 2 reviewed - CA2 IC50 - - -
P41597 BXGT010268 C-C chemokine receptor type 2 reviewed - CCR2 IC50 - - -
P08684 BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 Ki - - -
P51450 BXGT010847 Nuclear receptor ROR-gamma reviewed - Rorc Potency '=' 35481 nM
Q9F4F7 BXGT020344 4'-phosphopantetheinyl transferase ffp reviewed - ffp Potency '=' 56234 nM
P02791 BXGT005965 Ferritin light chain reviewed - FTL Potency '=' 19952 nM
P02791 BXGT005965 Ferritin light chain reviewed - FTL Potency '=' 31622 nM
P11021 BXGT007644 Endoplasmic reticulum chaperone BiP reviewed - HSPA5 Potency - 3689 nM
Q01453 BXGT012588 Peripheral myelin protein 22 reviewed Cellular structure PMP22 Potency '=' 37933 nM
P20309 BXGT008562 Muscarinic acetylcholine receptor M3 reviewed G-protein coupled receptor CHRM3 IC50 - - -
P30411 BXGT009424 B2 bradykinin receptor reviewed G-protein coupled receptor BDKRB2 Ki - - -
P32238 BXGT009611 Cholecystokinin receptor type A reviewed G-protein coupled receptor CCKAR IC50 - - -
P00918 BXGT005690 Carbonic anhydrase 2 reviewed - CA2 Ki - - -
B2RXH2 BXGT002006 Lysine-specific demethylase 4E reviewed - KDM4E Potency '=' 25118 nM
P08684 BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 Potency '=' 31622 nM
P49185 BXGT010682 Mitogen-activated protein kinase 8 reviewed - Mapk8 Activity - - -
P52631 BXGT010938 Signal transducer and activator of transcription 3 reviewed - Stat3 Activity - - -
P25021 BXGT009004 Histamine H2 receptor reviewed G-protein coupled receptor HRH2 IC50 - - -
P33032 BXGT009689 Melanocortin receptor 5 reviewed G-protein coupled receptor MC5R Ki - - -
O15296 BXGT004148 Arachidonate 15-lipoxygenase B reviewed Enzyme ALOX15B Potency - 10000 nM
P08311 BXGT006762 Cathepsin G reviewed Enzyme CTSG IC50 - - -
P27361 BXGT009176 Mitogen-activated protein kinase 3 reviewed Kinase MAPK3 IC50 - - -
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 2238 nM
Q16637 BXGT013646 Survival motor neuron protein reviewed Epigenetic regulator SMN1 Potency '=' 17782 nM
Q99700 BXGT019949 Ataxin-2 reviewed Nucleic acid binding ATXN2 Potency - 15848 nM
P21708 BXGT008684 Mitogen-activated protein kinase 3 reviewed - Mapk3 Activity - - -
P63086 BXGT011494 Mitogen-activated protein kinase 1 reviewed - Mapk1 Activity - - -
P18825 BXGT008426 Alpha-2C adrenergic receptor reviewed G-protein coupled receptor ADRA2C Ki - - -
P08575 BXGT006793 Receptor-type tyrosine-protein phosphatase C reviewed Enzyme PTPRC IC50 - - -
P28223 BXGT009239 5-hydroxytryptamine receptor 2A reviewed G-protein coupled receptor HTR2A IC50 - - -
Q99720 BXGT019955 Sigma non-opioid intracellular receptor 1 reviewed - SIGMAR1 Ki - - -
P17948 BXGT008358 Vascular endothelial growth factor receptor 1 reviewed Kinase FLT1 Ki - - -
P18089 BXGT008379 Alpha-2B adrenergic receptor reviewed G-protein coupled receptor ADRA2B Ki - - -
P05177 BXGT006336 Cytochrome P450 1A2 reviewed Enzyme CYP1A2 IC50 - - -
O94782 BXGT005332 Ubiquitin carboxyl-terminal hydrolase 1 reviewed Enzyme USP1 Potency - 56234 nM
Q99549 BXGT019932 M-phase phosphoprotein 8 reviewed Epigenetic regulator MPHOSPH8 Potency - 37685 nM
P16050 BXGT008184 Arachidonate 15-lipoxygenase reviewed Enzyme ALOX15 Potency '=' 501 nM
P35354 BXGT009816 Prostaglandin G/H synthase 2 reviewed Enzyme PTGS2 IC50 '=' 82000 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 15848 nM
P17516 BXGT008313 Aldo-keto reductase family 1 member C4 reviewed Enzyme AKR1C4 IC50 '=' 2300 nM
P15428 BXGT008121 15-hydroxyprostaglandin dehydrogenase [NAD(+)] reviewed - HPGD Potency '=' 14125 nM
P42345 BXGT010304 Serine/threonine-protein kinase mTOR reviewed Kinase MTOR Potency '=' 656 nM
B2RXH2 BXGT002006 Lysine-specific demethylase 4E reviewed - KDM4E Potency '=' 19952 nM
P51450 BXGT010847 Nuclear receptor ROR-gamma reviewed - Rorc Potency '=' 8912 nM
O89049 BXGT005293 Thioredoxin reductase 1, cytoplasmic reviewed - Txnrd1 Potency - 223 nM
Q13526 BXGT013369 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 reviewed - PIN1 Potency - 89125 nM
P11021 BXGT007644 Endoplasmic reticulum chaperone BiP reviewed - HSPA5 Potency - 10000 nM
Q690N0 BXGT016199 Progesterone receptor unreviewed - PGR Ki - - -
Q16539 BXGT013634 Mitogen-activated protein kinase 14 reviewed Kinase MAPK14 IC50 - - -
P04626 BXGT006238 Receptor tyrosine-protein kinase erbB-2 reviewed Kinase ERBB2 IC50 '=' 1329 nM
Q7ZJM1 BXGT017268 Integrase unreviewed - pol IC50 '=' 42000 nM
P30988 BXGT009491 Calcitonin receptor reviewed G-protein coupled receptor CALCR IC50 - - -
P25025 BXGT009006 C-X-C chemokine receptor type 2 reviewed G-protein coupled receptor CXCR2 IC50 - - -
P16050 BXGT008184 Arachidonate 15-lipoxygenase reviewed Enzyme ALOX15 IC50 '=' 130 nM
P25025 BXGT009006 C-X-C chemokine receptor type 2 reviewed G-protein coupled receptor CXCR2 Ki - - -
P35354 BXGT009816 Prostaglandin G/H synthase 2 reviewed Enzyme PTGS2 Ki - - -
P05177 BXGT006336 Cytochrome P450 1A2 reviewed Enzyme CYP1A2 Ki - - -
P33261 BXGT009707 Cytochrome P450 2C19 reviewed - CYP2C19 Ki - - -
P05181 BXGT006337 Cytochrome P450 2E1 reviewed - CYP2E1 IC50 - - -
P08575 BXGT006793 Receptor-type tyrosine-protein phosphatase C reviewed Enzyme PTPRC Ki - - -
P51679 BXGT010877 C-C chemokine receptor type 4 reviewed G-protein coupled receptor CCR4 Ki - - -
P25105 BXGT009021 Platelet-activating factor receptor reviewed G-protein coupled receptor PTAFR IC50 - - -
P28335 BXGT009255 5-hydroxytryptamine receptor 2C reviewed G-protein coupled receptor HTR2C IC50 - - -
P37288 BXGT009977 Vasopressin V1a receptor reviewed G-protein coupled receptor AVPR1A IC50 - - -
P23219 BXGT008837 Prostaglandin G/H synthase 1 reviewed Enzyme PTGS1 Ki - - -
P00352 BXGT005510 Retinal dehydrogenase 1 reviewed Enzyme ALDH1A1 Potency '=' 25118 nM
O75496 BXGT005132 Geminin reviewed - GMNN Potency '=' 4466 nM
Q7ZJM1 BXGT017268 Integrase unreviewed - pol IC50 '=' 7000 nM
P41143 BXGT010223 Delta-type opioid receptor reviewed G-protein coupled receptor OPRD1 Ki - - -
P14416 BXGT008011 D(2) dopamine receptor reviewed G-protein coupled receptor DRD2 Ki - - -
P25101 BXGT009018 Endothelin-1 receptor reviewed G-protein coupled receptor EDNRA Ki - - -
P35367 BXGT009821 Histamine H1 receptor reviewed G-protein coupled receptor HRH1 Ki - - -
P08173 BXGT006738 Muscarinic acetylcholine receptor M4 reviewed G-protein coupled receptor CHRM4 IC50 - - -
P08588 BXGT006795 Beta-1 adrenergic receptor reviewed G-protein coupled receptor ADRB1 IC50 - - -
P11509 BXGT007716 Cytochrome P450 2A6 reviewed - CYP2A6 Ki - - -
P15823 BXGT008160 Alpha-1B adrenergic receptor reviewed - Adra1b IC50 - - -
P08913 BXGT006841 Alpha-2A adrenergic receptor reviewed G-protein coupled receptor ADRA2A Ki - - -
O76074 BXGT005174 cGMP-specific 3',5'-cyclic phosphodiesterase reviewed - PDE5A Ki - - -
P21397 BXGT008644 Amine oxidase [flavin-containing] A reviewed - MAOA IC50 - - -
P21728 BXGT008686 D(1A) dopamine receptor reviewed G-protein coupled receptor DRD1 Potency - 22387 nM
P04150 BXGT006154 Glucocorticoid receptor reviewed Nuclear receptor NR3C1 IC50 - - -
P20309 BXGT008562 Muscarinic acetylcholine receptor M3 reviewed G-protein coupled receptor CHRM3 Ki - - -
P41145 BXGT010225 Kappa-type opioid receptor reviewed G-protein coupled receptor OPRK1 IC50 - - -
Q99549 BXGT019932 M-phase phosphoprotein 8 reviewed Epigenetic regulator MPHOSPH8 Potency - 39810 nM
P49146 BXGT010681 Neuropeptide Y receptor type 2 reviewed G-protein coupled receptor NPY2R Ki - - -
P41597 BXGT010268 C-C chemokine receptor type 2 reviewed - CCR2 Ki - - -
P05181 BXGT006337 Cytochrome P450 2E1 reviewed - CYP2E1 Ki - - -
P19327 BXGT008472 5-hydroxytryptamine receptor 1A reviewed - Htr1a Ki - - -
Q99720 BXGT019955 Sigma non-opioid intracellular receptor 1 reviewed - SIGMAR1 IC50 - - -
P37288 BXGT009977 Vasopressin V1a receptor reviewed G-protein coupled receptor AVPR1A Ki - - -
P30542 BXGT009436 Adenosine receptor A1 reviewed G-protein coupled receptor ADORA1 IC50 - - -
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 2592 nM
Q03164 BXGT012700 Histone-lysine N-methyltransferase 2A reviewed - KMT2A Potency '=' 17782 nM
O00255 BXGT003903 Menin reviewed - MEN1 Potency '=' 17782 nM
P51450 BXGT010847 Nuclear receptor ROR-gamma reviewed - Rorc Potency '=' 10000 nM
P25024 BXGT009005 C-X-C chemokine receptor type 1 reviewed G-protein coupled receptor CXCR1 IC50 - - -
Q12809 BXGT013267 Potassium voltage-gated channel subfamily H member 2 reviewed Ion channel KCNH2 IC50 - - -
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 12589 nM
Q7ZJM1 BXGT017268 Integrase unreviewed - pol IC50 '=' 10000 nM
Q96KQ7 BXGT019687 Histone-lysine N-methyltransferase EHMT2 reviewed Epigenetic regulator EHMT2 Potency - 3981 nM
Q9F4F7 BXGT020344 4'-phosphopantetheinyl transferase ffp reviewed - ffp Potency '=' 50118 nM
P41145 BXGT010225 Kappa-type opioid receptor reviewed G-protein coupled receptor OPRK1 Ki - - -
O76074 BXGT005174 cGMP-specific 3',5'-cyclic phosphodiesterase reviewed - PDE5A IC50 - - -
P12822 BXGT007850 Angiotensin-converting enzyme reviewed - ACE IC50 - - -
P14780 BXGT008053 Matrix metalloproteinase-9 reviewed Enzyme MMP9 Ki - - -
P06241 BXGT006429 Tyrosine-protein kinase Fyn reviewed Kinase FYN IC50 '=' 4214 nM
Q13951 BXGT013407 Core-binding factor subunit beta reviewed - CBFB Potency - 14125 nM
Q01196 BXGT012575 Runt-related transcription factor 1 reviewed Transcription factor RUNX1 Potency - 14125 nM
P42345 BXGT010304 Serine/threonine-protein kinase mTOR reviewed Kinase MTOR Potency '=' 9268 nM
Q96KQ7 BXGT019687 Histone-lysine N-methyltransferase EHMT2 reviewed Epigenetic regulator EHMT2 Potency - 3548 nM
Q9F4F7 BXGT020344 4'-phosphopantetheinyl transferase ffp reviewed - ffp Potency '=' 79432 nM
Q96QE3 BXGT019718 ATPase family AAA domain-containing protein 5 reviewed - ATAD5 Potency - 18348 nM
O75164 BXGT005104 Lysine-specific demethylase 4A reviewed - KDM4A Potency - 89125 nM
P11344 BXGT007687 Tyrosinase reviewed - Tyr Inhibition - - -
P27695 BXGT009199 DNA-(apurinic or apyrimidinic site) lyase reviewed - APEX1 Potency - 17782 nM
Q01959 BXGT012624 Sodium-dependent dopamine transporter reviewed Transporter SLC6A3 IC50 - - -
Q01959 BXGT012624 Sodium-dependent dopamine transporter reviewed Transporter SLC6A3 Ki - - -
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 18356 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 11220 nM
O97447 BXGT005436 Putative fructose-1,6-bisphosphate aldolase unreviewed - ald Potency '=' 15811 nM
P18054 BXGT008370 Arachidonate 12-lipoxygenase, 12S-type reviewed Enzyme ALOX12 Potency '=' 28183 nM
O35505 BXGT004533 Voltage-dependent L-type calcium channel subunit alpha-1C reviewed - CACNA1C IC50 '=' 1100 nM
P11021 BXGT007644 Endoplasmic reticulum chaperone BiP reviewed - HSPA5 Potency - 18492 nM
P49798 BXGT010745 Regulator of G-protein signaling 4 reviewed Enzyme modulator RGS4 Potency - 751 nM
P02545 BXGT005889 Prelamin-A/C reviewed - LMNA Potency '=' 5623 nM
P28482 BXGT009263 Mitogen-activated protein kinase 1 reviewed Kinase MAPK1 IC50 '=' 686 nM
P00533 BXGT005575 Epidermal growth factor receptor reviewed Kinase EGFR Ki - - -
P22303 BXGT008751 Acetylcholinesterase reviewed Enzyme ACHE IC50 - - -
P22303 BXGT008751 Acetylcholinesterase reviewed Enzyme ACHE Ki - - -
P0DMS8 BXGT007506 Adenosine receptor A3 reviewed G-protein coupled receptor ADORA3 Ki - - -
P07550 BXGT006636 Beta-2 adrenergic receptor reviewed G-protein coupled receptor ADRB2 IC50 - - -
P13945 BXGT007972 Beta-3 adrenergic receptor reviewed G-protein coupled receptor ADRB3 Ki - - -
P50052 BXGT010768 Type-2 angiotensin II receptor reviewed G-protein coupled receptor AGTR2 Ki - - -
P27361 BXGT009176 Mitogen-activated protein kinase 3 reviewed Kinase MAPK3 Ki - - -
P41968 BXGT010275 Melanocortin receptor 3 reviewed G-protein coupled receptor MC3R Ki - - -
P43140 BXGT010360 Alpha-1A adrenergic receptor reviewed - Adra1a IC50 - - -
P08588 BXGT006795 Beta-1 adrenergic receptor reviewed G-protein coupled receptor ADRB1 Ki - - -
P08913 BXGT006841 Alpha-2A adrenergic receptor reviewed G-protein coupled receptor ADRA2A IC50 - - -
P30988 BXGT009491 Calcitonin receptor reviewed G-protein coupled receptor CALCR Ki - - -
P28564 BXGT009272 5-hydroxytryptamine receptor 1B reviewed - Htr1b IC50 - - -
Q13148 BXGT013318 TAR DNA-binding protein 43 reviewed - TARDBP Potency - 15848 nM
P21917 BXGT008707 D(4) dopamine receptor reviewed G-protein coupled receptor DRD4 Ki - - -
P81908 BXGT011959 Cholinesterase reviewed - BCHE Inhibition '=' 17 %
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 2818 nM
P29466 BXGT009349 Caspase-1 reviewed Enzyme CASP1 Ki - - -
P17252 BXGT008294 Protein kinase C alpha type reviewed Kinase PRKCA Ki - - -
P25105 BXGT009021 Platelet-activating factor receptor reviewed G-protein coupled receptor PTAFR Ki - - -
P11021 BXGT007644 Endoplasmic reticulum chaperone BiP reviewed - HSPA5 Potency - 12589 nM
P21917 BXGT008707 D(4) dopamine receptor reviewed G-protein coupled receptor DRD4 IC50 - - -
P04035 BXGT006129 3-hydroxy-3-methylglutaryl-coenzyme A reductase reviewed - HMGCR Ki - - -
P12530 BXGT007827 Arachidonate 15-lipoxygenase reviewed - ALOX15 Ki - - -
Q12809 BXGT013267 Potassium voltage-gated channel subfamily H member 2 reviewed Ion channel KCNH2 Ki - - -
Q690N0 BXGT016199 Progesterone receptor unreviewed - PGR IC50 - - -
P12822 BXGT007850 Angiotensin-converting enzyme reviewed - ACE Ki - - -
P14416 BXGT008011 D(2) dopamine receptor reviewed G-protein coupled receptor DRD2 IC50 - - -
Q92731 BXGT019366 Estrogen receptor beta reviewed Nuclear receptor ESR2 Ki - - -
P04150 BXGT006154 Glucocorticoid receptor reviewed Nuclear receptor NR3C1 Ki - - -
O95149 BXGT005350 Snurportin-1 reviewed - SNUPN Potency - 35481 nM
Q14974 BXGT013516 Importin subunit beta-1 reviewed Transporter KPNB1 Potency - 35481 nM
A6XA80 BXGT001522 Leukotriene C4 synthase reviewed - LTC4S Ki - - -
Q92731 BXGT019366 Estrogen receptor beta reviewed Nuclear receptor ESR2 IC50 - - -
P25021 BXGT009004 Histamine H2 receptor reviewed G-protein coupled receptor HRH2 Ki - - -
P15428 BXGT008121 15-hydroxyprostaglandin dehydrogenase [NAD(+)] reviewed - HPGD Potency '=' 39810 nM
P08684 BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 IC50 - - -
Q96KQ7 BXGT019687 Histone-lysine N-methyltransferase EHMT2 reviewed Epigenetic regulator EHMT2 Potency - 21192 nM
O75874 BXGT005157 Isocitrate dehydrogenase [NADP] cytoplasmic reviewed - IDH1 Potency - 18356 nM
P42330 BXGT010301 Aldo-keto reductase family 1 member C3 reviewed Enzyme AKR1C3 IC50 '=' 1700 nM
P30411 BXGT009424 B2 bradykinin receptor reviewed G-protein coupled receptor BDKRB2 IC50 - - -
P32238 BXGT009611 Cholecystokinin receptor type A reviewed G-protein coupled receptor CCKAR Ki - - -
P11712 BXGT007738 Cytochrome P450 2C9 reviewed - CYP2C9 IC50 - - -
P11712 BXGT007738 Cytochrome P450 2C9 reviewed - CYP2C9 Ki - - -
P10635 BXGT007595 Cytochrome P450 2D6 reviewed - CYP2D6 Ki - - -
O60218 BXGT004858 Aldo-keto reductase family 1 member B10 reviewed Enzyme AKR1B10 IC50 '=' 80 nM
P08912 BXGT006840 Muscarinic acetylcholine receptor M5 reviewed G-protein coupled receptor CHRM5 IC50 - - -
P35354 BXGT009816 Prostaglandin G/H synthase 2 reviewed Enzyme PTGS2 IC50 - - -
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 1458 nM
P11229 BXGT007676 Muscarinic acetylcholine receptor M1 reviewed G-protein coupled receptor CHRM1 Ki - - -
P08172 BXGT006737 Muscarinic acetylcholine receptor M2 reviewed G-protein coupled receptor CHRM2 Ki - - -
P08311 BXGT006762 Cathepsin G reviewed Enzyme CTSG Ki - - -
P08246 BXGT006756 Neutrophil elastase reviewed Enzyme ELANE Ki - - -
Q08209 BXGT012968 Serine/threonine-protein phosphatase 2B catalytic subunit alpha isoform reviewed - PPP3CA Ki - - -
P04626 BXGT006238 Receptor tyrosine-protein kinase erbB-2 reviewed Kinase ERBB2 Ki - - -
Q03164 BXGT012700 Histone-lysine N-methyltransferase 2A reviewed - KMT2A Potency '=' 15848 nM
O00255 BXGT003903 Menin reviewed - MEN1 Potency '=' 15848 nM
P28482 BXGT009263 Mitogen-activated protein kinase 1 reviewed Kinase MAPK1 Ki - - -
Q08209 BXGT012968 Serine/threonine-protein phosphatase 2B catalytic subunit alpha isoform reviewed - PPP3CA IC50 - - -
P20781 BXGT008598 Glycine receptor subunit beta reviewed - Glrb Ki - - -
P07727 BXGT006662 Glycine receptor subunit alpha-1 reviewed - Glra1 Ki - - -
P24524 BXGT008974 Glycine receptor subunit alpha-3 reviewed - Glra3 Ki - - -
P22771 BXGT008806 Glycine receptor subunit alpha-2 reviewed - Glra2 Ki - - -
P17252 BXGT008294 Protein kinase C alpha type reviewed Kinase PRKCA IC50 - - -
P13945 BXGT007972 Beta-3 adrenergic receptor reviewed G-protein coupled receptor ADRB3 IC50 - - -
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 1032 nM
O42275 BXGT004559 Acetylcholinesterase reviewed - ache Inhibition '=' -8 %
P02766 BXGT005953 Transthyretin reviewed Transporter TTR Inhibition '<' 20 %
O15648 BXGT004185 ATP-dependent 6-phosphofructokinase reviewed - pfk Potency - 33807 nM
P00591 BXGT005592 Pancreatic triacylglycerol lipase reviewed - PNLIP ED50 '=' 10 uM
Q99700 BXGT019949 Ataxin-2 reviewed Nucleic acid binding ATXN2 Potency - 7943 nM
O95069 BXGT005348 Potassium channel subfamily K member 2 reviewed Ion channel KCNK2 FC '=' 6 -
P21554 BXGT008662 Cannabinoid receptor 1 reviewed G-protein coupled receptor CNR1 Ki - - -
P21452 BXGT008653 Substance-K receptor reviewed G-protein coupled receptor TACR2 Ki - - -
P24557 BXGT008976 Thromboxane-A synthase reviewed - TBXAS1 IC50 - - -
P17948 BXGT008358 Vascular endothelial growth factor receptor 1 reviewed Kinase FLT1 IC50 - - -
P32241 BXGT009613 Vasoactive intestinal polypeptide receptor 1 reviewed G-protein coupled receptor VIPR1 IC50 - - -
P32241 BXGT009613 Vasoactive intestinal polypeptide receptor 1 reviewed G-protein coupled receptor VIPR1 Ki - - -
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 7943 nM
P00591 BXGT005592 Pancreatic triacylglycerol lipase reviewed - PNLIP Inhibition '=' 62 %
Q99714 BXGT019954 3-hydroxyacyl-CoA dehydrogenase type-2 reviewed Enzyme HSD17B10 Potency '=' 19952 nM
P37840 BXGT010015 Alpha-synuclein reviewed Transporter SNCA Potency - 3162 nM
Q9WV60 BXGT021944 Glycogen synthase kinase-3 beta reviewed - Gsk3b Inhibition - - -
P11021 BXGT007644 Endoplasmic reticulum chaperone BiP reviewed - HSPA5 Potency - 7943 nM
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 4610 nM
P31750 BXGT009575 RAC-alpha serine/threonine-protein kinase reviewed - Akt1 Inhibition - - -
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 3264 nM
Q8IUX4 BXGT018337 DNA dC->dU-editing enzyme APOBEC-3F reviewed Enzyme APOBEC3F Potency - 6309 nM
P15127 BXGT008085 Insulin receptor reviewed - Insr Ki - - -
P15289 BXGT008102 Arylsulfatase A reviewed Enzyme ARSA Potency - 33807 nM
P00591 BXGT005592 Pancreatic triacylglycerol lipase reviewed - PNLIP Inhibition - - -
P02766 BXGT005953 Transthyretin reviewed Transporter TTR EC50 '=' 8600 nM
O94925 BXGT005342 Glutaminase kidney isoform, mitochondrial reviewed Enzyme GLS Potency - 35481 nM
P07550 BXGT006636 Beta-2 adrenergic receptor reviewed G-protein coupled receptor ADRB2 Ki - - -
P23975 BXGT008935 Sodium-dependent noradrenaline transporter reviewed Transporter SLC6A2 Ki '=' 3756 nM
P50052 BXGT010768 Type-2 angiotensin II receptor reviewed G-protein coupled receptor AGTR2 IC50 - - -
P51679 BXGT010877 C-C chemokine receptor type 4 reviewed G-protein coupled receptor CCR4 IC50 - - -
P51681 BXGT010878 C-C chemokine receptor type 5 reviewed G-protein coupled receptor CCR5 IC50 - - -
P12530 BXGT007827 Arachidonate 15-lipoxygenase reviewed - ALOX15 IC50 - - -
Q9NPD5 BXGT021151 Solute carrier organic anion transporter family member 1B3 reviewed Transporter SLCO1B3 Inhibition '=' 143 %
P05627 BXGT026143 Transcription factor AP-1 reviewed - Jun Activity - - -
P05067 BXGT006306 Amyloid-beta precursor protein reviewed Enzyme modulator APP EC50 '=' 8410 nM
Q9Y6Y9 BXGT022346 Lymphocyte antigen 96 reviewed Receptor LY96 Inhibition '=' 25 %
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00022 Oat Avena sativa Cereals and cereal products
BXGF00101 Flaxseed Linum usitatissimum Herbs and Spices
BXGF00149 Peach Prunus persica Fruits
BXGF00205 Corn Zea mays Cereals and cereal products
BXGF01104 Garcinia cambogia Garcinia cambogia Medicinal Plant
BXGF01252 Petasites laevigatus Petasites laevigatus Medicinal Plant
BXGF01404 Sphaeranthus confertifolius Sphaeranthus confertifolius Others
BXGF01556 Ornithoglossum viride Ornithoglossum viride Others
BXGF01606 Schizanthus tricolor Schizanthus tricolor Others
BXGF01631 Anodendron affine Anodendron affine Medicinal Plant
BXGF01669 Hertia cheirifolia Hertia cheirifolia Others
BXGF01720 Cedrela salvadorensis Cedrela salvadorensis Others
BXGF03189 Rhododendron dauricum Rhododendron dauricum Medicinal Plant
BXGF05436 Rubia tetragona Rubia tetragona Others
BXGF05858 Ormosia hosiei Ormosia hosiei Medicinal Plant
BXGF06250 Licaria chrysophylla Licaria chrysophylla Others
The  compound-realted  diseases
Diseases
BXGD Id Disease Name CUI Disease Id Disease Class Name Number of targets?Number of targets related to compound connecting disease, higher numbers indicate the compound is more associated with the disease