Showing entry for Ouabain


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0051524
Compound NameOuabain
Structure
FormulaC29H44O12
InchiKeyLPMXVESGRSUGHW-HBYQJFLCSA-N
SMILESOC[C@@]12[C@H](O)C[C@@H](C[C@@]2(O)CC[C@@H]2[C@@H]1[C@H](O)C[C@]1([C@]2(O)CC[C@@H]1C1=CC(=O)OC1)C)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O
InchiInChI=1S/C29H44O12/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31/h7,13,15-19,21-25,30-32,34-38H,3-6,8-12H2,1-2H3/t13-,15-,16+,17+,18+,19+,21+,22-,23+,24+,25-,26+,27-,28
IUPAC3-[(1R,3S,5S,8R,9S,10R,11R,13R,14S,17R)-1,5,11,14-tetrahydroxy-10-(hydroxymethyl)-13-methyl-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Molecular Weight584.28
Pubchem Id439501
Chembl IdCHEMBL222863
Targets of Information Source
DrugBank DB01092
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
P05023 BXGT006294 Sodium/potassium-transporting ATPase subunit alpha-1 reviewed Transporter ATP1A1 approved inhibitor
P50993 BXGT010826 Sodium/potassium-transporting ATPase subunit alpha-2 reviewed Transporter ATP1A2 approved inhibitor
P13637 BXGT007933 Sodium/potassium-transporting ATPase subunit alpha-3 reviewed Transporter ATP1A3 approved inhibitor
PDB OBN
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
Q4H132 BXGT014814 Sodium/potassium-transporting ATPase subunit alpha unreviewed atn1 - - - - -
P05024 BXGT006295 Sodium/potassium-transporting ATPase subunit alpha-1 reviewed ATP1A1 - - - - -
Q08DA1 BXGT013018 Sodium/potassium-transporting ATPase subunit alpha-1 reviewed ATP1A1 - - - - -
A0A5G2QZU7 BXGT024675 Sodium/potassium-transporting ATPase subunit alpha unreviewed ATP1A1 - - - - -
Binding DB 50286739
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 BXGT010286 Signal transducer and activator of transcription 1-alpha/beta reviewed Nucleic acid binding STAT1 - >55700 - -
reviewed BXGT013401 Krueppel-like factor 5 reviewed Nucleic acid binding KLF5 - 29.73 - -
reviewed BXGT006294 Sodium/potassium-transporting ATPase subunit alpha-1 reviewed Transporter ATP1A1 97 - - -
reviewed BXGT010826 Sodium/potassium-transporting ATPase subunit alpha-2 reviewed Transporter ATP1A2 90 - - -
reviewed BXGT011068 Potassium-transporting ATPase alpha chain 2 reviewed Transporter ATP12A - 200000 - -
CHEMBL CHEMBL222863
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
P46721 BXGT010536 Solute carrier organic anion transporter family member 1A2 reviewed Transporter SLCO1A2 Activity - - -
P46720 BXGT010535 Solute carrier organic anion transporter family member 1A1 reviewed - Slco1a1 Activity '=' 52 %
P41597 BXGT010268 C-C chemokine receptor type 2 reviewed - CCR2 Ki - - -
P32238 BXGT009611 Cholecystokinin receptor type A reviewed G-protein coupled receptor CCKAR Ki - - -
P46720 BXGT010535 Solute carrier organic anion transporter family member 1A1 reviewed - Slco1a1 Km '=' 3000000 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 1354 nM
Q16637 BXGT013646 Survival motor neuron protein reviewed Epigenetic regulator SMN1 Potency '=' 223 nM
P42224 BXGT010286 Signal transducer and activator of transcription 1-alpha/beta reviewed Nucleic acid binding STAT1 IC50 '>' 55700 nM
O15118 BXGT004127 NPC intracellular cholesterol transporter 1 reviewed Transporter NPC1 Potency '=' 115820 nM
P18089 BXGT008379 Alpha-2B adrenergic receptor reviewed G-protein coupled receptor ADRA2B IC50 - - -
P07550 BXGT006636 Beta-2 adrenergic receptor reviewed G-protein coupled receptor ADRB2 Ki - - -
P06239 BXGT006427 Tyrosine-protein kinase Lck reviewed Kinase LCK IC50 - - -
P19327 BXGT008472 5-hydroxytryptamine receptor 1A reviewed - Htr1a IC50 - - -
P11509 BXGT007716 Cytochrome P450 2A6 reviewed - CYP2A6 Ki - - -
P02545 BXGT005889 Prelamin-A/C reviewed - LMNA Potency '=' 1122 nM
O76074 BXGT005174 cGMP-specific 3',5'-cyclic phosphodiesterase reviewed - PDE5A Ki - - -
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 1258 nM
P07340 BXGT006605 Sodium/potassium-transporting ATPase subunit beta-1 reviewed - Atp1b1 IC50 '=' 4 nM
Q64541 BXGT016124 Sodium/potassium-transporting ATPase subunit alpha-4 reviewed - Atp1a4 IC50 '=' 4 nM
P07340 BXGT006605 Sodium/potassium-transporting ATPase subunit beta-1 reviewed - Atp1b1 IC50 '=' 4300 nM
P06685 BXGT006471 Sodium/potassium-transporting ATPase subunit alpha-1 reviewed - Atp1a1 IC50 '=' 4300 nM
P0DMS8 BXGT007506 Adenosine receptor A3 reviewed G-protein coupled receptor ADORA3 Ki - - -
Q99700 BXGT019949 Ataxin-2 reviewed Nucleic acid binding ATXN2 Potency - 8 nM
Q6ZQN7 BXGT016634 Solute carrier organic anion transporter family member 4C1 reviewed - SLCO4C1 Km '=' 380 nM
Q9NYB5 BXGT021255 Solute carrier organic anion transporter family member 1C1 reviewed Transporter SLCO1C1 Activity - - -
P00811 BXGT005666 Beta-lactamase reviewed - ampC Potency '=' 25118 nM
P28335 BXGT009255 5-hydroxytryptamine receptor 2C reviewed G-protein coupled receptor HTR2C IC50 - - -
P15207 BXGT008096 Androgen receptor reviewed - Ar IC50 - - -
P21452 BXGT008653 Substance-K receptor reviewed G-protein coupled receptor TACR2 Ki - - -
P43140 BXGT010360 Alpha-1A adrenergic receptor reviewed - Adra1a Ki - - -
O35913 BXGT004540 Solute carrier organic anion transporter family member 1A4 reviewed - Slco1a4 Activity - - -
P25100 BXGT009017 Alpha-1D adrenergic receptor reviewed G-protein coupled receptor ADRA1D Ki - - -
P28335 BXGT009255 5-hydroxytryptamine receptor 2C reviewed G-protein coupled receptor HTR2C Ki - - -
P31645 BXGT009558 Sodium-dependent serotonin transporter reviewed Transporter SLC6A4 Ki - - -
P24557 BXGT008976 Thromboxane-A synthase reviewed - TBXAS1 IC50 - - -
P03956 BXGT006120 Interstitial collagenase reviewed Enzyme MMP1 Ki - - -
P07943 BXGT006700 Aldo-keto reductase family 1 member B1 reviewed - Akr1b1 Ki - - -
P18825 BXGT008426 Alpha-2C adrenergic receptor reviewed G-protein coupled receptor ADRA2C IC50 - - -
P07943 BXGT006700 Aldo-keto reductase family 1 member B1 reviewed - Akr1b1 IC50 - - -
P00533 BXGT005575 Epidermal growth factor receptor reviewed Kinase EGFR Ki - - -
P04626 BXGT006238 Receptor tyrosine-protein kinase erbB-2 reviewed Kinase ERBB2 IC50 - - -
P06239 BXGT006427 Tyrosine-protein kinase Lck reviewed Kinase LCK Ki - - -
P08575 BXGT006793 Receptor-type tyrosine-protein phosphatase C reviewed Enzyme PTPRC IC50 - - -
P08246 BXGT006756 Neutrophil elastase reviewed Enzyme ELANE IC50 - - -
P03956 BXGT006120 Interstitial collagenase reviewed Enzyme MMP1 IC50 - - -
P28482 BXGT009263 Mitogen-activated protein kinase 1 reviewed Kinase MAPK1 IC50 - - -
P29274 BXGT009327 Adenosine receptor A2a reviewed G-protein coupled receptor ADORA2A Ki - - -
P18089 BXGT008379 Alpha-2B adrenergic receptor reviewed G-protein coupled receptor ADRA2B Ki - - -
P02545 BXGT005889 Prelamin-A/C reviewed - LMNA Potency '=' 223 nM
P28564 BXGT009272 5-hydroxytryptamine receptor 1B reviewed - Htr1b IC50 - - -
P41968 BXGT010275 Melanocortin receptor 3 reviewed G-protein coupled receptor MC3R Ki - - -
P21728 BXGT008686 D(1A) dopamine receptor reviewed G-protein coupled receptor DRD1 Ki - - -
P21917 BXGT008707 D(4) dopamine receptor reviewed G-protein coupled receptor DRD4 IC50 - - -
Q92731 BXGT019366 Estrogen receptor beta reviewed Nuclear receptor ESR2 Ki - - -
P25021 BXGT009004 Histamine H2 receptor reviewed G-protein coupled receptor HRH2 IC50 - - -
P25021 BXGT009004 Histamine H2 receptor reviewed G-protein coupled receptor HRH2 Ki - - -
P15127 BXGT008085 Insulin receptor reviewed - Insr IC50 - - -
O76074 BXGT005174 cGMP-specific 3',5'-cyclic phosphodiesterase reviewed - PDE5A IC50 - - -
Q690N0 BXGT016199 Progesterone receptor unreviewed - PGR IC50 - - -
P12822 BXGT007850 Angiotensin-converting enzyme reviewed - ACE IC50 - - -
Q16637 BXGT013646 Survival motor neuron protein reviewed Epigenetic regulator SMN1 Potency '=' 281 nM
P03372 BXGT006059 Estrogen receptor reviewed Nuclear receptor ESR1 IC50 - - -
P43140 BXGT010360 Alpha-1A adrenergic receptor reviewed - Adra1a IC50 - - -
P35354 BXGT009816 Prostaglandin G/H synthase 2 reviewed Enzyme PTGS2 Inhibition '<' 30 %
P29476 BXGT009354 Nitric oxide synthase, brain reviewed - Nos1 Ki - - -
P41145 BXGT010225 Kappa-type opioid receptor reviewed G-protein coupled receptor OPRK1 IC50 - - -
P25105 BXGT009021 Platelet-activating factor receptor reviewed G-protein coupled receptor PTAFR IC50 - - -
P27361 BXGT009176 Mitogen-activated protein kinase 3 reviewed Kinase MAPK3 IC50 - - -
P02768 BXGT005955 Serum albumin reviewed Transporter ALB Log B/F '=' 1 -
Q01453 BXGT012588 Peripheral myelin protein 22 reviewed Cellular structure PMP22 Potency '=' 84921 nM
Q01959 BXGT012624 Sodium-dependent dopamine transporter reviewed Transporter SLC6A3 Ki - - -
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 2113 nM
P29274 BXGT009327 Adenosine receptor A2a reviewed G-protein coupled receptor ADORA2A IC50 - - -
P08588 BXGT006795 Beta-1 adrenergic receptor reviewed G-protein coupled receptor ADRB1 Ki - - -
P04150 BXGT006154 Glucocorticoid receptor reviewed Nuclear receptor NR3C1 Ki - - -
P13945 BXGT007972 Beta-3 adrenergic receptor reviewed G-protein coupled receptor ADRB3 Ki - - -
P23975 BXGT008935 Sodium-dependent noradrenaline transporter reviewed Transporter SLC6A2 IC50 - - -
P30411 BXGT009424 B2 bradykinin receptor reviewed G-protein coupled receptor BDKRB2 IC50 - - -
P25024 BXGT009005 C-X-C chemokine receptor type 1 reviewed G-protein coupled receptor CXCR1 Ki - - -
P31939 BXGT009584 Bifunctional purine biosynthesis protein PURH reviewed Enzyme ATIC Activity - - -
P00533 BXGT005575 Epidermal growth factor receptor reviewed Kinase EGFR IC50 - - -
P04626 BXGT006238 Receptor tyrosine-protein kinase erbB-2 reviewed Kinase ERBB2 Ki - - -
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 - - -
P21397 BXGT008644 Amine oxidase [flavin-containing] A reviewed - MAOA IC50 - - -
P21397 BXGT008644 Amine oxidase [flavin-containing] A reviewed - MAOA Ki - - -
P08912 BXGT006840 Muscarinic acetylcholine receptor M5 reviewed G-protein coupled receptor CHRM5 IC50 - - -
P49146 BXGT010681 Neuropeptide Y receptor type 2 reviewed G-protein coupled receptor NPY2R Ki - - -
P51151 BXGT010837 Ras-related protein Rab-9A reviewed - RAB9A Potency '=' 125 nM
P02545 BXGT005889 Prelamin-A/C reviewed - LMNA Potency '=' 31 nM
P37288 BXGT009977 Vasopressin V1a receptor reviewed G-protein coupled receptor AVPR1A IC50 - - -
P18825 BXGT008426 Alpha-2C adrenergic receptor reviewed G-protein coupled receptor ADRA2C Ki - - -
P08684 BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 IC50 - - -
P21917 BXGT008707 D(4) dopamine receptor reviewed G-protein coupled receptor DRD4 Ki - - -
P33261 BXGT009707 Cytochrome P450 2C19 reviewed - CYP2C19 Ki - - -
P12530 BXGT007827 Arachidonate 15-lipoxygenase reviewed - ALOX15 IC50 - - -
P08173 BXGT006738 Muscarinic acetylcholine receptor M4 reviewed G-protein coupled receptor CHRM4 Ki - - -
P25929 BXGT009078 Neuropeptide Y receptor type 1 reviewed G-protein coupled receptor NPY1R IC50 - - -
P29477 BXGT009355 Nitric oxide synthase, inducible reviewed - Nos2 IC50 - - -
P41145 BXGT010225 Kappa-type opioid receptor reviewed G-protein coupled receptor OPRK1 Ki - - -
P35372 BXGT009823 Mu-type opioid receptor reviewed G-protein coupled receptor OPRM1 Ki - - -
Q9R1U7 BXGT021423 Solute carrier family 22 member 8 reviewed - Slc22a8 Activity - - -
P21554 BXGT008662 Cannabinoid receptor 1 reviewed G-protein coupled receptor CNR1 IC50 - - -
P23219 BXGT008837 Prostaglandin G/H synthase 1 reviewed Enzyme PTGS1 IC50 - - -
P05177 BXGT006336 Cytochrome P450 1A2 reviewed Enzyme CYP1A2 Ki - - -
P10635 BXGT007595 Cytochrome P450 2D6 reviewed - CYP2D6 Ki - - -
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 6513 nM
P40763 BXGT010202 Signal transducer and activator of transcription 3 reviewed Nucleic acid binding STAT3 IC50 '=' 1154 nM
Q8TCC7 BXGT018794 Solute carrier family 22 member 8 reviewed Transporter SLC22A8 Activity - - -
P05181 BXGT006337 Cytochrome P450 2E1 reviewed - CYP2E1 Ki - - -
P08684 BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 Ki - - -
P21728 BXGT008686 D(1A) dopamine receptor reviewed G-protein coupled receptor DRD1 IC50 - - -
P30988 BXGT009491 Calcitonin receptor reviewed G-protein coupled receptor CALCR IC50 - - -
P00918 BXGT005690 Carbonic anhydrase 2 reviewed - CA2 IC50 - - -
P06241 BXGT006429 Tyrosine-protein kinase Fyn reviewed Kinase FYN Ki - - -
Q16236 BXGT013624 Nuclear factor erythroid 2-related factor 2 reviewed Enzyme NFE2L2 Potency - 65 nM
P54710 BXGT011070 Sodium/potassium-transporting ATPase subunit gamma reviewed Transporter FXYD2 IC50 '=' 6000 nM
Q13733 BXGT013394 Sodium/potassium-transporting ATPase subunit alpha-4 reviewed Transporter ATP1A4 IC50 '=' 6000 nM
P13637 BXGT007933 Sodium/potassium-transporting ATPase subunit alpha-3 reviewed Transporter ATP1A3 IC50 '=' 6000 nM
P54709 BXGT011069 Sodium/potassium-transporting ATPase subunit beta-3 reviewed Transporter ATP1B3 IC50 '=' 6000 nM
P50993 BXGT010826 Sodium/potassium-transporting ATPase subunit alpha-2 reviewed Transporter ATP1A2 IC50 '=' 6000 nM
P05026 BXGT006296 Sodium/potassium-transporting ATPase subunit beta-1 reviewed Transporter ATP1B1 IC50 '=' 6000 nM
P14415 BXGT008010 Sodium/potassium-transporting ATPase subunit beta-2 reviewed Transporter ATP1B2 IC50 '=' 6000 nM
P05023 BXGT006294 Sodium/potassium-transporting ATPase subunit alpha-1 reviewed Transporter ATP1A1 IC50 '=' 6000 nM
Q01959 BXGT012624 Sodium-dependent dopamine transporter reviewed Transporter SLC6A3 IC50 - - -
Q92731 BXGT019366 Estrogen receptor beta reviewed Nuclear receptor ESR2 IC50 - - -
Q9Y271 BXGT022222 Cysteinyl leukotriene receptor 1 reviewed G-protein coupled receptor CYSLTR1 IC50 - - -
Q64541 BXGT016124 Sodium/potassium-transporting ATPase subunit alpha-4 reviewed - Atp1a4 IC50 '=' 1 nM
Q63377 BXGT016068 Sodium/potassium-transporting ATPase subunit beta-3 reviewed - Atp1b3 IC50 '=' 1 nM
Q9NPD5 BXGT021151 Solute carrier organic anion transporter family member 1B3 reviewed Transporter SLCO1B3 Inhibition '=' 98 %
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 944 nM
P11229 BXGT007676 Muscarinic acetylcholine receptor M1 reviewed G-protein coupled receptor CHRM1 IC50 - - -
P08172 BXGT006737 Muscarinic acetylcholine receptor M2 reviewed G-protein coupled receptor CHRM2 Ki - - -
Q12809 BXGT013267 Potassium voltage-gated channel subfamily H member 2 reviewed Ion channel KCNH2 Ki - - -
P22303 BXGT008751 Acetylcholinesterase reviewed Enzyme ACHE Ki - - -
P08913 BXGT006841 Alpha-2A adrenergic receptor reviewed G-protein coupled receptor ADRA2A Ki - - -
P28223 BXGT009239 5-hydroxytryptamine receptor 2A reviewed G-protein coupled receptor HTR2A IC50 - - -
P17948 BXGT008358 Vascular endothelial growth factor receptor 1 reviewed Kinase FLT1 Ki - - -
P32241 BXGT009613 Vasoactive intestinal polypeptide receptor 1 reviewed G-protein coupled receptor VIPR1 Ki - - -
P00918 BXGT005690 Carbonic anhydrase 2 reviewed - CA2 Ki - - -
P51681 BXGT010878 C-C chemokine receptor type 5 reviewed G-protein coupled receptor CCR5 IC50 - - -
P25025 BXGT009006 C-X-C chemokine receptor type 2 reviewed G-protein coupled receptor CXCR2 IC50 - - -
P05177 BXGT006336 Cytochrome P450 1A2 reviewed Enzyme CYP1A2 IC50 - - -
P11712 BXGT007738 Cytochrome P450 2C9 reviewed - CYP2C9 Ki - - -
P10635 BXGT007595 Cytochrome P450 2D6 reviewed - CYP2D6 IC50 - - -
P30542 BXGT009436 Adenosine receptor A1 reviewed G-protein coupled receptor ADORA1 Ki - - -
P29466 BXGT009349 Caspase-1 reviewed Enzyme CASP1 Ki - - -
P08311 BXGT006762 Cathepsin G reviewed Enzyme CTSG IC50 - - -
P0DMS8 BXGT007506 Adenosine receptor A3 reviewed G-protein coupled receptor ADORA3 IC50 - - -
P51681 BXGT010878 C-C chemokine receptor type 5 reviewed G-protein coupled receptor CCR5 Ki - - -
P25024 BXGT009005 C-X-C chemokine receptor type 1 reviewed G-protein coupled receptor CXCR1 IC50 - - -
P21452 BXGT008653 Substance-K receptor reviewed G-protein coupled receptor TACR2 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 - - -
O89049 BXGT005293 Thioredoxin reductase 1, cytoplasmic reviewed - Txnrd1 Potency - 37685 nM
P20309 BXGT008562 Muscarinic acetylcholine receptor M3 reviewed G-protein coupled receptor CHRM3 Ki - - -
P06241 BXGT006429 Tyrosine-protein kinase Fyn reviewed Kinase FYN IC50 - - -
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 2059 nM
P15207 BXGT008096 Androgen receptor reviewed - Ar Ki - - -
O15118 BXGT004127 NPC intracellular cholesterol transporter 1 reviewed Transporter NPC1 Potency '=' 158 nM
P08246 BXGT006756 Neutrophil elastase reviewed Enzyme ELANE Ki - - -
P25025 BXGT009006 C-X-C chemokine receptor type 2 reviewed G-protein coupled receptor CXCR2 Ki - - -
P11509 BXGT007716 Cytochrome P450 2A6 reviewed - CYP2A6 IC50 - - -
P05181 BXGT006337 Cytochrome P450 2E1 reviewed - CYP2E1 IC50 - - -
Q16539 BXGT013634 Mitogen-activated protein kinase 14 reviewed Kinase MAPK14 IC50 - - -
P08172 BXGT006737 Muscarinic acetylcholine receptor M2 reviewed G-protein coupled receptor CHRM2 IC50 - - -
P08173 BXGT006738 Muscarinic acetylcholine receptor M4 reviewed G-protein coupled receptor CHRM4 IC50 - - -
P41143 BXGT010223 Delta-type opioid receptor reviewed G-protein coupled receptor OPRD1 IC50 - - -
Q690N0 BXGT016199 Progesterone receptor unreviewed - PGR Ki - - -
P30542 BXGT009436 Adenosine receptor A1 reviewed G-protein coupled receptor ADORA1 IC50 - - -
P07340 BXGT006605 Sodium/potassium-transporting ATPase subunit beta-1 reviewed - Atp1b1 IC50 '=' 170 nM
P06686 BXGT006472 Sodium/potassium-transporting ATPase subunit alpha-2 reviewed - Atp1a2 IC50 '=' 170 nM
P84022 BXGT012027 Mothers against decapentaplegic homolog 3 reviewed Transcription factor SMAD3 Potency - 366 nM
P25105 BXGT009021 Platelet-activating factor receptor reviewed G-protein coupled receptor PTAFR Ki - - -
Q08209 BXGT012968 Serine/threonine-protein phosphatase 2B catalytic subunit alpha isoform reviewed - PPP3CA Ki - - -
A6XA80 BXGT001522 Leukotriene C4 synthase reviewed - LTC4S Ki - - -
P02545 BXGT005889 Prelamin-A/C reviewed - LMNA Potency '=' 794 nM
P12530 BXGT007827 Arachidonate 15-lipoxygenase reviewed - ALOX15 Ki - - -
P25929 BXGT009078 Neuropeptide Y receptor type 1 reviewed G-protein coupled receptor NPY1R Ki - - -
Q12809 BXGT013267 Potassium voltage-gated channel subfamily H member 2 reviewed Ion channel KCNH2 IC50 - - -
Q96QE3 BXGT019718 ATPase family AAA domain-containing protein 5 reviewed - ATAD5 Potency - 65 nM
P04150 BXGT006154 Glucocorticoid receptor reviewed Nuclear receptor NR3C1 IC50 - - -
P27361 BXGT009176 Mitogen-activated protein kinase 3 reviewed Kinase MAPK3 Ki - - -
P08575 BXGT006793 Receptor-type tyrosine-protein phosphatase C reviewed Enzyme PTPRC Ki - - -
P21554 BXGT008662 Cannabinoid receptor 1 reviewed G-protein coupled receptor CNR1 Ki - - -
P35354 BXGT009816 Prostaglandin G/H synthase 2 reviewed Enzyme PTGS2 IC50 - - -
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 1458 nM
P41597 BXGT010268 C-C chemokine receptor type 2 reviewed - CCR2 IC50 - - -
Q9WKE8 BXGT021921 Reverse transcriptase unreviewed - reverse IC50 '>' 200 ug.mL-1
P30411 BXGT009424 B2 bradykinin receptor reviewed G-protein coupled receptor BDKRB2 Ki - - -
P28482 BXGT009263 Mitogen-activated protein kinase 1 reviewed Kinase MAPK1 Ki - - -
P41595 BXGT010267 5-hydroxytryptamine receptor 2B reviewed G-protein coupled receptor HTR2B Ki - - -
Q99720 BXGT019955 Sigma non-opioid intracellular receptor 1 reviewed - SIGMAR1 IC50 - - -
Q99720 BXGT019955 Sigma non-opioid intracellular receptor 1 reviewed - SIGMAR1 Ki - - -
P25103 BXGT009020 Substance-P receptor reviewed G-protein coupled receptor TACR1 IC50 - - -
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 266 nM
P54707 BXGT011068 Potassium-transporting ATPase alpha chain 2 reviewed Transporter ATP12A IC50 '=' 200000 nM
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 92 nM
Q16539 BXGT013634 Mitogen-activated protein kinase 14 reviewed Kinase MAPK14 Ki - - -
P25100 BXGT009017 Alpha-1D adrenergic receptor reviewed G-protein coupled receptor ADRA1D IC50 - - -
P51151 BXGT010837 Ras-related protein Rab-9A reviewed - RAB9A Potency '=' 29092 nM
O75496 BXGT005132 Geminin reviewed - GMNN Potency '=' 112 nM
Q9Y6L6 BXGT022334 Solute carrier organic anion transporter family member 1B1 reviewed Transporter SLCO1B1 Inhibition '=' 50 %
Q9NPD5 BXGT021151 Solute carrier organic anion transporter family member 1B3 reviewed Transporter SLCO1B3 Activity - - -
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 1778 nM
Q96KQ7 BXGT019687 Histone-lysine N-methyltransferase EHMT2 reviewed Epigenetic regulator EHMT2 Potency - 10000 nM
P54710 BXGT011070 Sodium/potassium-transporting ATPase subunit gamma reviewed Transporter FXYD2 IC50 '=' 3 ug.mL-1
Q13733 BXGT013394 Sodium/potassium-transporting ATPase subunit alpha-4 reviewed Transporter ATP1A4 IC50 '=' 3 ug.mL-1
P13637 BXGT007933 Sodium/potassium-transporting ATPase subunit alpha-3 reviewed Transporter ATP1A3 IC50 '=' 3 ug.mL-1
P54709 BXGT011069 Sodium/potassium-transporting ATPase subunit beta-3 reviewed Transporter ATP1B3 IC50 '=' 3 ug.mL-1
P50993 BXGT010826 Sodium/potassium-transporting ATPase subunit alpha-2 reviewed Transporter ATP1A2 IC50 '=' 3 ug.mL-1
P05026 BXGT006296 Sodium/potassium-transporting ATPase subunit beta-1 reviewed Transporter ATP1B1 IC50 '=' 3 ug.mL-1
P14415 BXGT008010 Sodium/potassium-transporting ATPase subunit beta-2 reviewed Transporter ATP1B2 IC50 '=' 3 ug.mL-1
P05023 BXGT006294 Sodium/potassium-transporting ATPase subunit alpha-1 reviewed Transporter ATP1A1 IC50 '=' 3 ug.mL-1
Q9Y6L6 BXGT022334 Solute carrier organic anion transporter family member 1B1 reviewed Transporter SLCO1B1 Inhibition '=' 108 %
Q96KQ7 BXGT019687 Histone-lysine N-methyltransferase EHMT2 reviewed Epigenetic regulator EHMT2 Potency - 22387 nM
Q96QE3 BXGT019718 ATPase family AAA domain-containing protein 5 reviewed - ATAD5 Potency - 163 nM
P17252 BXGT008294 Protein kinase C alpha type reviewed Kinase PRKCA IC50 - - -
P25101 BXGT009018 Endothelin-1 receptor reviewed G-protein coupled receptor EDNRA IC50 - - -
P15127 BXGT008085 Insulin receptor reviewed - Insr Ki - - -
P08912 BXGT006840 Muscarinic acetylcholine receptor M5 reviewed G-protein coupled receptor CHRM5 Ki - - -
P35372 BXGT009823 Mu-type opioid receptor reviewed G-protein coupled receptor OPRM1 IC50 - - -
Q13887 BXGT013401 Krueppel-like factor 5 reviewed Nucleic acid binding KLF5 IC50 '=' 164 nM
P33261 BXGT009707 Cytochrome P450 2C19 reviewed - CYP2C19 IC50 - - -
P13945 BXGT007972 Beta-3 adrenergic receptor reviewed G-protein coupled receptor ADRB3 IC50 - - -
Q9P8Q7 BXGT021317 Isocitrate lyase reviewed - ICL1 IC50 - - -
P32245 BXGT009614 Melanocortin receptor 4 reviewed G-protein coupled receptor MC4R IC50 - - -
P33032 BXGT009689 Melanocortin receptor 5 reviewed G-protein coupled receptor MC5R Ki - - -
P07550 BXGT006636 Beta-2 adrenergic receptor reviewed G-protein coupled receptor ADRB2 IC50 - - -
Q96QE3 BXGT019718 ATPase family AAA domain-containing protein 5 reviewed - ATAD5 Potency - 92 nM
Q9EP96 BXGT020287 Solute carrier organic anion transporter family member 1A4 reviewed - Slco1a4 Activity - - -
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 2310 nM
P15823 BXGT008160 Alpha-1B adrenergic receptor reviewed - Adra1b Ki - - -
P32238 BXGT009611 Cholecystokinin receptor type A reviewed G-protein coupled receptor CCKAR IC50 - - -
P23219 BXGT008837 Prostaglandin G/H synthase 1 reviewed Enzyme PTGS1 Ki - - -
P04035 BXGT006129 3-hydroxy-3-methylglutaryl-coenzyme A reductase reviewed - HMGCR Ki - - -
P04637 BXGT006243 Cellular tumor antigen p53 reviewed Transcription factor TP53 Potency '=' 50 nM
P24557 BXGT008976 Thromboxane-A synthase reviewed - TBXAS1 Ki - - -
P35354 BXGT009816 Prostaglandin G/H synthase 2 reviewed Enzyme PTGS2 Ki - - -
P50406 BXGT010796 5-hydroxytryptamine receptor 6 reviewed G-protein coupled receptor HTR6 IC50 - - -
P12822 BXGT007850 Angiotensin-converting enzyme reviewed - ACE Ki - - -
P08913 BXGT006841 Alpha-2A adrenergic receptor reviewed G-protein coupled receptor ADRA2A IC50 - - -
P29466 BXGT009349 Caspase-1 reviewed Enzyme CASP1 IC50 - - -
P14780 BXGT008053 Matrix metalloproteinase-9 reviewed Enzyme MMP9 IC50 - - -
P17252 BXGT008294 Protein kinase C alpha type reviewed Kinase PRKCA Ki - - -
Q9Y271 BXGT022222 Cysteinyl leukotriene receptor 1 reviewed G-protein coupled receptor CYSLTR1 Ki - - -
P20309 BXGT008562 Muscarinic acetylcholine receptor M3 reviewed G-protein coupled receptor CHRM3 IC50 - - -
P28223 BXGT009239 5-hydroxytryptamine receptor 2A reviewed G-protein coupled receptor HTR2A Ki - - -
P50406 BXGT010796 5-hydroxytryptamine receptor 6 reviewed G-protein coupled receptor HTR6 Ki - - -
P37288 BXGT009977 Vasopressin V1a receptor reviewed G-protein coupled receptor AVPR1A Ki - - -
O42275 BXGT004559 Acetylcholinesterase reviewed - ache Inhibition '=' -3 %
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 958 nM
O94956 BXGT005343 Solute carrier organic anion transporter family member 2B1 reviewed Transporter SLCO2B1 Inhibition '=' -24 %
P46720 BXGT010535 Solute carrier organic anion transporter family member 1A1 reviewed - Slco1a1 Activity '=' 61 %
O88397 BXGT005271 Solute carrier organic anion transporter family member 1A5 reviewed - Slco1a5 Km '=' 1571000 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 1678 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 237 nM
P51679 BXGT010877 C-C chemokine receptor type 4 reviewed G-protein coupled receptor CCR4 IC50 - - -
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 1883 nM
P02791 BXGT005965 Ferritin light chain reviewed - FTL Potency '=' 44668 nM
P49146 BXGT010681 Neuropeptide Y receptor type 2 reviewed G-protein coupled receptor NPY2R IC50 - - -
P08311 BXGT006762 Cathepsin G reviewed Enzyme CTSG Ki - - -
P50052 BXGT010768 Type-2 angiotensin II receptor reviewed G-protein coupled receptor AGTR2 IC50 - - -
P50052 BXGT010768 Type-2 angiotensin II receptor reviewed G-protein coupled receptor AGTR2 Ki - - -
O75874 BXGT005157 Isocitrate dehydrogenase [NADP] cytoplasmic reviewed - IDH1 Potency - 130 nM
Q9NPD5 BXGT021151 Solute carrier organic anion transporter family member 1B3 reviewed Transporter SLCO1B3 Inhibition '=' 20 %
P46720 BXGT010535 Solute carrier organic anion transporter family member 1A1 reviewed - Slco1a1 Km '=' 1700000 nM
P29476 BXGT009354 Nitric oxide synthase, brain reviewed - Nos1 IC50 - - -
P41968 BXGT010275 Melanocortin receptor 3 reviewed G-protein coupled receptor MC3R IC50 - - -
P33032 BXGT009689 Melanocortin receptor 5 reviewed G-protein coupled receptor MC5R IC50 - - -
Q16236 BXGT013624 Nuclear factor erythroid 2-related factor 2 reviewed Enzyme NFE2L2 Potency - 36 nM
Q9QZX8 BXGT021401 Solute carrier organic anion transporter family member 1B2 reviewed - Slco1b2 Activity - - -
P30988 BXGT009491 Calcitonin receptor reviewed G-protein coupled receptor CALCR Ki - - -
P51679 BXGT010877 C-C chemokine receptor type 4 reviewed G-protein coupled receptor CCR4 Ki - - -
P81908 BXGT011959 Cholinesterase reviewed - BCHE Inhibition '=' 5 %
P46721 BXGT010536 Solute carrier organic anion transporter family member 1A2 reviewed Transporter SLCO1A2 Km '=' 5500000 nM
Q16637 BXGT013646 Survival motor neuron protein reviewed Epigenetic regulator SMN1 Potency '=' 354 nM
Q16637 BXGT013646 Survival motor neuron protein reviewed Epigenetic regulator SMN1 Potency '=' 100 nM
P28564 BXGT009272 5-hydroxytryptamine receptor 1B reviewed - Htr1b Ki - - -
P31645 BXGT009558 Sodium-dependent serotonin transporter reviewed Transporter SLC6A4 IC50 - - -
P27695 BXGT009199 DNA-(apurinic or apyrimidinic site) lyase reviewed - APEX1 Potency - 1412 nM
P04035 BXGT006129 3-hydroxy-3-methylglutaryl-coenzyme A reductase reviewed - HMGCR IC50 - - -
P14780 BXGT008053 Matrix metalloproteinase-9 reviewed Enzyme MMP9 Ki - - -
P41143 BXGT010223 Delta-type opioid receptor reviewed G-protein coupled receptor OPRD1 Ki - - -
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 259 nM
P70502 BXGT011672 Solute carrier organic anion transporter family member 1A3 reviewed - Slco1a3 Activity - - -
Q9QXZ6 BXGT021388 Solute carrier organic anion transporter family member 1A1 reviewed - Slco1a1 Activity - - -
P54710 BXGT011070 Sodium/potassium-transporting ATPase subunit gamma reviewed Transporter FXYD2 LC50 '=' 9400 nM
Q13733 BXGT013394 Sodium/potassium-transporting ATPase subunit alpha-4 reviewed Transporter ATP1A4 LC50 '=' 9400 nM
P13637 BXGT007933 Sodium/potassium-transporting ATPase subunit alpha-3 reviewed Transporter ATP1A3 LC50 '=' 9400 nM
P54709 BXGT011069 Sodium/potassium-transporting ATPase subunit beta-3 reviewed Transporter ATP1B3 LC50 '=' 9400 nM
P50993 BXGT010826 Sodium/potassium-transporting ATPase subunit alpha-2 reviewed Transporter ATP1A2 LC50 '=' 9400 nM
P05026 BXGT006296 Sodium/potassium-transporting ATPase subunit beta-1 reviewed Transporter ATP1B1 LC50 '=' 9400 nM
P14415 BXGT008010 Sodium/potassium-transporting ATPase subunit beta-2 reviewed Transporter ATP1B2 LC50 '=' 9400 nM
P05023 BXGT006294 Sodium/potassium-transporting ATPase subunit alpha-1 reviewed Transporter ATP1A1 LC50 '=' 9400 nM
P41595 BXGT010267 5-hydroxytryptamine receptor 2B reviewed G-protein coupled receptor HTR2B IC50 - - -
O70528 BXGT005068 5-hydroxytryptamine receptor 4 reviewed - HTR4 IC50 - - -
O70528 BXGT005068 5-hydroxytryptamine receptor 4 reviewed - HTR4 Ki - - -
Q99700 BXGT019949 Ataxin-2 reviewed Nucleic acid binding ATXN2 Potency - 316 nM
P11229 BXGT007676 Muscarinic acetylcholine receptor M1 reviewed G-protein coupled receptor CHRM1 Ki - - -
P29477 BXGT009355 Nitric oxide synthase, inducible reviewed - Nos2 Ki - - -
Q08209 BXGT012968 Serine/threonine-protein phosphatase 2B catalytic subunit alpha isoform reviewed - PPP3CA IC50 - - -
P35367 BXGT009821 Histamine H1 receptor reviewed G-protein coupled receptor HRH1 Ki - - -
A6XA80 BXGT001522 Leukotriene C4 synthase reviewed - LTC4S IC50 - - -
P32245 BXGT009614 Melanocortin receptor 4 reviewed G-protein coupled receptor MC4R Ki - - -
P63092 BXGT011495 Guanine nucleotide-binding protein G(s) subunit alpha isoforms short reviewed - GNAS Potency - 4466 nM
Q16236 BXGT013624 Nuclear factor erythroid 2-related factor 2 reviewed Enzyme NFE2L2 Potency - 32 nM
P22303 BXGT008751 Acetylcholinesterase reviewed Enzyme ACHE IC50 - - -
P23975 BXGT008935 Sodium-dependent noradrenaline transporter reviewed Transporter SLC6A2 Ki - - -
P84022 BXGT012027 Mothers against decapentaplegic homolog 3 reviewed Transcription factor SMAD3 Potency - 562 nM
P03372 BXGT006059 Estrogen receptor reviewed Nuclear receptor ESR1 Ki - - -
P35462 BXGT009835 D(3) dopamine receptor reviewed G-protein coupled receptor DRD3 Ki - - -
P11712 BXGT007738 Cytochrome P450 2C9 reviewed - CYP2C9 IC50 - - -
P08588 BXGT006795 Beta-1 adrenergic receptor reviewed G-protein coupled receptor ADRB1 IC50 - - -
P25103 BXGT009020 Substance-P receptor reviewed G-protein coupled receptor TACR1 Ki - - -
P84022 BXGT012027 Mothers against decapentaplegic homolog 3 reviewed Transcription factor SMAD3 Potency - 206 nM
Q16236 BXGT013624 Nuclear factor erythroid 2-related factor 2 reviewed Enzyme NFE2L2 Potency - 58 nM
P15823 BXGT008160 Alpha-1B adrenergic receptor reviewed - Adra1b IC50 - - -
P19327 BXGT008472 5-hydroxytryptamine receptor 1A reviewed - Htr1a Ki - - -
P14416 BXGT008011 D(2) dopamine receptor reviewed G-protein coupled receptor DRD2 IC50 - - -
P14416 BXGT008011 D(2) dopamine receptor reviewed G-protein coupled receptor DRD2 Ki - - -
P35462 BXGT009835 D(3) dopamine receptor reviewed G-protein coupled receptor DRD3 IC50 - - -
P25101 BXGT009018 Endothelin-1 receptor reviewed G-protein coupled receptor EDNRA Ki - - -
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 - - -
O35913 BXGT004540 Solute carrier organic anion transporter family member 1A4 reviewed - Slco1a4 Km '=' 470000 nM
O95342 BXGT005373 Bile salt export pump reviewed Transporter ABCB11 IC50 '>' 1000000 nM
P02545 BXGT005889 Prelamin-A/C reviewed - LMNA Potency '=' 316 nM
P84022 BXGT012027 Mothers against decapentaplegic homolog 3 reviewed Transcription factor SMAD3 Potency - 1122 nM
P84022 BXGT012027 Mothers against decapentaplegic homolog 3 reviewed Transcription factor SMAD3 Potency - 3662 nM
P54710 BXGT011070 Sodium/potassium-transporting ATPase subunit gamma reviewed Transporter FXYD2 IC50 '=' 6600 nM
Q13733 BXGT013394 Sodium/potassium-transporting ATPase subunit alpha-4 reviewed Transporter ATP1A4 IC50 '=' 6600 nM
P13637 BXGT007933 Sodium/potassium-transporting ATPase subunit alpha-3 reviewed Transporter ATP1A3 IC50 '=' 6600 nM
P54709 BXGT011069 Sodium/potassium-transporting ATPase subunit beta-3 reviewed Transporter ATP1B3 IC50 '=' 6600 nM
P50993 BXGT010826 Sodium/potassium-transporting ATPase subunit alpha-2 reviewed Transporter ATP1A2 IC50 '=' 6600 nM
P05026 BXGT006296 Sodium/potassium-transporting ATPase subunit beta-1 reviewed Transporter ATP1B1 IC50 '=' 6600 nM
P14415 BXGT008010 Sodium/potassium-transporting ATPase subunit beta-2 reviewed Transporter ATP1B2 IC50 '=' 6600 nM
P05023 BXGT006294 Sodium/potassium-transporting ATPase subunit alpha-1 reviewed Transporter ATP1A1 IC50 '=' 6600 nM
P07340 BXGT006605 Sodium/potassium-transporting ATPase subunit beta-1 reviewed - Atp1b1 IC50 '=' 31 nM
P06687 BXGT006473 Sodium/potassium-transporting ATPase subunit alpha-3 reviewed - Atp1a3 IC50 '=' 31 nM
Q12809 BXGT013267 Potassium voltage-gated channel subfamily H member 2 reviewed Ion channel KCNH2 IC50 '=' 5800 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF03429 Digitalis lanata Digitalis lanata Medicinal Plant
BXGF04976 Arachniodes exilis Arachniodes exilis Medicinal Plant
BXGF05276 Digitalis purpurea Digitalis purpurea Medicinal Plant
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