AIM-Harvard/TrialPanorama-filtered huggingface dataset:
Drug: medetomidine
Target: Adrenergic receptor alpha-1 (GPCR)
Gene: ADRA1D|ADRA1A|ADRA1B
UniProt: P25100|P35348|P35368 (ADA1D_HUMAN|ADA1A_HUMAN|ADA1B_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 5.93
Assay: Tested for its inhibitory activity against alpha-1 adrenoceptor in guinea pig ileum
Drug: medroxalol
Target: Beta-1 adrenergic receptor (GPCR)
Gene: ADRB1
UniProt: P08588 (ADRB1_HUMAN)
Organism: Homo sapiens
Activity: pA2 = 7.82
Drug: medroxalol
Target: Alpha-1A adrenergic receptor (GPCR)
Gene: ADRA1A
UniProt: P35348 (ADA1A_HUMAN)
Organism: Homo sapiens
Activity: pA2 = 6.08
Drug: medroxyprogesterone
Target: Histamine H2 receptor (GPCR)
Gene: HRH2
UniProt: P25021 (HRH2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 4.561
Assay: DRUGMATRIX: Histamine H2 radioligand binding (ligand: [125I] Aminopotentidine)
Drug: medroxyprogesterone
Target: Glucocorticoid receptor (Nuclear hormone receptor)
Gene: NR3C1
UniProt: P04150 (GCR_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.88
Assay: Inhibition of Dexamethasone binding to human glucocorticoid receptor expressed in baculovirus SF-12 cells
Drug: medroxyprogesterone
Target: Mineralocorticoid receptor (Nuclear hormone receptor)
Gene: NR3C2
UniProt: P08235 (MCR_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.92
Assay: Inhibitory activity against human Mineralocorticoid receptor
Drug: medroxyprogesterone
Target: Androgen receptor (Nuclear hormone receptor)
Gene: AR
UniProt: P10275 (ANDR_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 8.2
Drug: medroxyprogesterone
Target: Progesterone receptor (Nuclear hormone receptor)
Gene: PGR
UniProt: P06401 (PRGR_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 9.59
Action type: AGONIST
Drug: medroxyprogesterone
Target: Aldo-keto reductase family 1 member C1 (Enzyme)
Gene: AKR1C1
UniProt: Q04828 (AK1C1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.74
Assay: Inhibition of human recombinant AKR1C1 expressed in Escherichia coli assessed as decrease in oxidation of 1-acenaphthenol substrate by spectrophotometric analysis
Drug: medroxyprogesterone
Target: Aldo-keto reductase family 1 member C2 (Enzyme)
Gene: AKR1C2
UniProt: P52895 (AK1C2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.39
Assay: Inhibition of recombinant AKR1C2 (unknown origin) assessed as decrease in oxidation of 1-acenaphthenol substrate by spectrophotometric analysis
Drug: medroxyprogesterone
Target: Aldo-keto reductase family 1 member C3 (Enzyme)
Gene: AKR1C3
UniProt: P42330 (AK1C3_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.52
Assay: Inhibition of recombinant AKR1C3 (unknown origin) assessed as decrease in oxidation of 1-acenaphthenol substrate by spectrophotometric analysis
Drug: medroxyprogesterone
Target: Cytochrome P450 2C19 (Enzyme)
Gene: CYP2C19
UniProt: P33261 (CP2CJ_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.699
Assay: DRUGMATRIX: CYP450, 2C19 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)
Drug: medroxyprogesterone
Target: Sex hormone-binding globulin (Secreted)
Gene: SHBG
UniProt: P04278 (SHBG_HUMAN)
Organism: Homo sapiens
Activity: Kd = 6.2
Assay: Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin
Drug: medroxyprogesterone
Target: Androgen receptor (Transcription factor)
Gene: Ar
UniProt: P15207 (ANDR_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 7.45
Assay: Inhibitory concentration against recombinant rat androgen receptor expressed in Escherichia coli using [3H]methyltrienolone (R 1881)
Drug: medroxyprogesterone
Target: Progesterone receptor (Transcription factor)
Gene: PGR
UniProt: Q690N0 (Q690N0_BOVIN)
Organism: Bos taurus
Activity: Ki = 7.032
Assay: DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020)
Drug: medroxyprogesterone
Target: Androgen receptor (Transcription factor)
Gene: Ar
UniProt: P19091 (ANDR_MOUSE)
Organism: Mus musculus
Activity: EC50 = 8.21
Assay: Effective concentration against Androgen receptor
Drug: medroxyprogesterone
Target: Estrogen receptor (Nuclear hormone receptor)
Gene: ESR1|ESR2
UniProt: P03372|Q92731 (ESR1_HUMAN|ESR2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.03
Assay: Inhibition of binding to human estrogen receptor
Drug: medrysone
Target: Glucocorticoid receptor (Nuclear hormone receptor)
Gene: NR3C1
UniProt: P04150 (GCR_HUMAN)
Organism: Homo sapiens
Action type: AGONIST
Assay: Mechanism of Action; CHEMBL2034; SINGLE PROTEIN
Drug: mefenamic acid
Target: Prostaglandin G/H synthase 2 (Enzyme)
Gene: PTGS2
UniProt: P35354 (PGH2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.83
Action type: INHIBITOR
Drug: mefenamic acid
Target: Prostaglandin G/H synthase 1 (Enzyme)
Gene: PTGS1
UniProt: P23219 (PGH1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.78
Action type: INHIBITOR
Drug: mefenamic acid
Target: Cytochrome P450 2C9 (Enzyme)
Gene: CYP2C9
UniProt: P11712 (CP2C9_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 5.301
Drug: mefenamic acid
Target: Aldose reductase (Enzyme)
Gene: AKR1B1
UniProt: P15121 (ALDR_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.11
Drug: mefenamic acid
Target: Aldo-keto reductase family 1 member C1 (Enzyme)
Gene: AKR1C1
UniProt: Q04828 (AK1C1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.09
Assay: Inhibition of human recombinant AKR1C1 assessed as 1-acenaphthenol oxidation by spectrophotometry
Drug: mefenamic acid
Target: Aldo-keto reductase family 1 member C2 (Enzyme)
Gene: AKR1C2
UniProt: P52895 (AK1C2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.66
Assay: Inhibition of human recombinant AKR1C2 assessed as 1-acenaphthenol oxidation by spectrophotometry
Drug: mefenamic acid
Target: Aldo-keto reductase family 1 member C3 (Enzyme)
Gene: AKR1C3
UniProt: P42330 (AK1C3_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.52
Assay: Inhibition of human recombinant AKR1C3 assessed as 1-acenaphthenol oxidation by spectrophotometry
Drug: mefenamic acid
Target: Myeloperoxidase (Enzyme)
Gene: MPO
UniProt: P05164 (PERM_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.01
Assay: Inhibition of recombinant MPO (unknown origin) assessed as reduction in taurine chloramine production preincubated with enzyme and taurine followed by H2O2 addition measured after 5 mins
Drug: mefenamic acid
Target: Acetylcholinesterase (Enzyme)
Gene: ache
UniProt: P04058 (ACES_TORCA)
Organism: Torpedo californica
Activity: IC50 = 5.21
Assay: Inhibition of Torpedo californica eel AChE using acetylthiocholine/DTNB as substrate assessed as ROS-induced enzyme inactivation preincubated for 10 mins followed by substrate addition measured every 30 secs for 20 mins in presence of horseradish peroxidase and H2O2
Drug: mefenamic acid
Target: Transient receptor potential cation channel subfamily A member 1 (Ion channel)
Gene: TRPA1
UniProt: O75762 (TRPA1_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 4.8
Assay: Agonist activity at human TRPA1 expressed in HEK293 cells assessed as increase in calcium influx by Fluo-4-AM dye based fluorescence assay
Drug: mefenamic acid
Target: Aldo-keto reductase family 1 member B10 (Enzyme)
Gene: AKR1B10
UniProt: O60218 (AK1BA_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.8
Drug: mefenamic acid
Target: Nicotinate phosphoribosyltransferase (Enzyme)
Gene: NAPRT
UniProt: Q6XQN6 (PNCB_HUMAN)
Organism: Homo sapiens
Activity: Ki = 10.3
Assay: Inhibition of NAPRT (unknown origin)
Drug: mefloquine
Target: Adenosine receptor A2a (GPCR)
Gene: ADORA2A
UniProt: P29274 (AA2AR_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.91
Assay: Binding affinity to human adenosine A2A receptor
Drug: mefloquine
Target: Potassium voltage-gated channel subfamily H member 2 (Ion channel)
Gene: KCNH2
UniProt: Q12809 (KCNH2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.25
Drug: mefloquine
Target: Multidrug resistance protein 1 (Transporter)
Gene: ABCB1
UniProt: P08183 (MDR1_HUMAN)
Organism: Homo sapiens
Drug: mefloquine
Target: Adenosine receptor A1 (GPCR)
Gene: ADORA1
UniProt: P30542 (AA1R_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.91
Assay: Binding affinity to human adenosine A1 receptor
Drug: mefloquine
Target: Hemoglobin subunit alpha (Secreted)
Gene: HBA1
UniProt: P69905 (HBA_HUMAN)
Organism: Homo sapiens
Drug: mefloquine
Target: Glycine receptor subunit alpha-1 (Ion channel)
Gene: GLRA1
UniProt: P23415 (GLRA1_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 5.6
Drug: mefloquine
Target: Protein kinase Pfmrk (Unclassified)
Gene: Pfmrk
UniProt: P90584 (P90584_PLAFA)
Organism: Plasmodium falciparum
Activity: IC50 = 4.92
Assay: Inhibition of Plasmodium falciparum cyclin-dependent kinase
Drug: megestrol acetate
Target: Multidrug resistance protein 1 (Transporter)
Gene: ABCB1
UniProt: P08183 (MDR1_HUMAN)
Organism: Homo sapiens
Drug: megestrol acetate
Target: Glucocorticoid receptor (Nuclear hormone receptor)
Gene: NR3C1
UniProt: P04150 (GCR_HUMAN)
Organism: Homo sapiens
Activity: Ki = 8.057
Assay: DRUGMATRIX: Glucocorticoid radioligand binding (ligand: [3H] Dexamethasone)
Drug: megestrol acetate
Target: Progesterone receptor (Nuclear hormone receptor)
Gene: PGR
UniProt: P06401 (PRGR_HUMAN)
Organism: Homo sapiens
Action type: AGONIST
Drug: megestrol acetate
Target: Cytochrome P450 2C9 (Enzyme)
Gene: CYP2C9
UniProt: P11712 (CP2C9_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5
Assay: DRUGMATRIX: CYP450, 2C9 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)
Drug: megestrol acetate
Target: Androgen receptor (Transcription factor)
Gene: Ar
UniProt: P15207 (ANDR_RAT)
Organism: Rattus norvegicus
Activity: Ki = 7.699
Assay: DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Mibolerone)
Drug: megestrol acetate
Target: Progesterone receptor (Transcription factor)
Gene: PGR
UniProt: Q690N0 (Q690N0_BOVIN)
Organism: Bos taurus
Activity: Ki = 8.842
Assay: DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020)
Drug: meglutol
Target: 3-hydroxy-3-methylglutaryl-coenzyme A reductase (Enzyme)
Gene: HMGCR
UniProt: P04035 (HMDH_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.63
Assay: Inhibitory constant against HMG-CoA reductase
Drug: melatonin
Target: 5-hydroxytryptamine receptor 2B (GPCR)
Gene: HTR2B
UniProt: P41595 (5HT2B_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.2
Action type: ANTAGONIST
Drug: melatonin
Target: Ribosyldihydronicotinamide dehydrogenase [quinone] (Enzyme)
Gene: NQO2
UniProt: P16083 (NQO2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.56
Assay: Ability to inhibit 2-[125I]iodomelatonin specific binding to melatonin receptor 3 (MT3) of Syrian hamster brain.
Drug: melatonin
Target: Melatonin receptor type 1A (GPCR)
Gene: MTNR1A
UniProt: P48039 (MTR1A_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 9.4
Action type: AGONIST
Drug: melatonin
Target: Melatonin receptor type 1B (GPCR)
Gene: MTNR1B
UniProt: P49286 (MTR1B_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 9.7
Action type: AGONIST
Drug: melatonin
Target: Nuclear receptor ROR-alpha (Nuclear hormone receptor)
Gene: RORA
UniProt: P35398 (RORA_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 9
Drug: melatonin
Target: Myeloperoxidase (Enzyme)
Gene: MPO
UniProt: P05164 (PERM_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.52
Assay: Inhibition of MPO (unknown origin) using H2O2 as substrate
Drug: melatonin
Target: Histamine H3 receptor (GPCR)
Gene: HRH3
UniProt: Q9Y5N1 (HRH3_HUMAN)
Organism: Homo sapiens
Activity: Ki = 9.3
Assay: Displacement of [3H]-N-alpha-methylhistamine from human H3 receptor expressed in HEK293 cell membranes incubated for 60 mins by scintillation counting method
Drug: melatonin
Target: Melatonin receptor type 1B (GPCR)
UniProt: P51050 (MTR1B_CHICK)
Organism: Gallus gallus
Activity: Ki = 9.15
Assay: Binding affinity measured against Chicken brain melatonin receptor by using 2-[125I]iodomelatonin as radioligand
Drug: melatonin
Target: Cytochrome P450 1B1 (Enzyme)
Gene: CYP1B1
UniProt: Q16678 (CP1B1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 4.85
Assay: Mixed type inhibition of human hepatic microsomes CYP1B1 expressed in supersomes coexpressing NADPH-cytochrome P450 reductase using 7-Ethoxyresorufin as substrate measured every 30 secs for 3 mins in presence of NADPH by spectrofluorometric analysis
Drug: melatonin
Target: Melatonin receptor (GPCR)
UniProt: P49285|P49288|P51050 (MTR1A_CHICK|MTR1C_CHICK|MTR1B_CHICK)
Organism: Gallus gallus
Activity: Ki = 9.75
Assay: Effect of compound on Melatonin receptor in chicken brain in the presence of MnCl2
Drug: meloxicam
Target: Prostaglandin G/H synthase 2 (Enzyme)
Gene: PTGS2
UniProt: P35354 (PGH2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.8
Action type: INHIBITOR
Assay: Concentration that caused a 50% decrease in the maximal inhibition of Prostaglandin G/H synthase 2 activity as measured by PGE-2 production.
Drug: meloxicam
Target: Prostaglandin G/H synthase 1 (Enzyme)
Gene: PTGS1
UniProt: P23219 (PGH1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.85
Assay: In vitro for its inhibitory activity against human whole blood Prostaglandin G/H synthase 1
Drug: meloxicam
Target: Prostaglandin G/H synthase 2 (Enzyme)
Gene: Ptgs2
UniProt: Q05769 (PGH2_MOUSE)
Organism: Mus musculus
Activity: IC50 = 6.82
Assay: Inhibition of mouse COX-2 expressed in baculovirus infected Sf21 insect cells assessed as reduction in oxygen consumption using arachidonic acid as substrate incubated for 12 mins followed by substrate addition measured for 2 mins
Drug: meloxicam
Target: Prostaglandin G/H synthase 1 (Enzyme)
Gene: PTGS1
UniProt: P05979 (PGH1_SHEEP)
Organism: Ovis aries
Activity: IC50 = 6
Assay: Inhibition of sheep seminal vesicle COX-1 assessed as reduction in oxygen consumption using arachidonic acid as substrate incubated for 12 mins followed by substrate addition measured for 2 mins
Drug: meloxicam
Target: Prostaglandin G/H synthase 2 (Enzyme)
Gene: PTGS2
UniProt: P79208 (PGH2_SHEEP)
Organism: Ovis aries
Activity: IC50 = 5.86
Assay: Inhibition of ovine COX2 after 5 mins by enzyme immuno assay
Drug: melperone
Target: D(2) dopamine receptor (GPCR)
Gene: DRD2
UniProt: P14416 (DRD2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.979
Drug: melperone
Target: Alpha-2A adrenergic receptor (GPCR)
Gene: ADRA2A
UniProt: P08913 (ADA2A_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.82
Drug: melperone
Target: Potassium voltage-gated channel subfamily H member 2 (Ion channel)
Gene: KCNH2
UniProt: Q12809 (KCNH2_HUMAN)
Organism: Homo sapiens
Drug: melperone
Target: 5-hydroxytryptamine receptor 1A (GPCR)
Gene: HTR1A
UniProt: P08908 (5HT1A_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.658
Drug: melperone
Target: 5-hydroxytryptamine receptor 2A (GPCR)
Gene: HTR2A
UniProt: P28223 (5HT2A_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.717
Drug: melperone
Target: 5-hydroxytryptamine receptor 2C (GPCR)
Gene: HTR2C
UniProt: P28335 (5HT2C_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.678
Drug: melperone
Target: Alpha-1A adrenergic receptor (GPCR)
Gene: ADRA1A
UniProt: P35348 (ADA1A_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.74
Drug: melperone
Target: D(3) dopamine receptor (GPCR)
Gene: DRD3
UniProt: P35462 (DRD3_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.063
Drug: melperone
Target: Histamine H1 receptor (GPCR)
Gene: HRH1
UniProt: P35367 (HRH1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.237
Drug: melperone
Target: Muscarinic acetylcholine receptor M2 (GPCR)
Gene: CHRM2
UniProt: P08172 (ACM2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.62
Drug: melperone
Target: Muscarinic acetylcholine receptor M4 (GPCR)
Gene: CHRM4
UniProt: P08173 (ACM4_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.357
Drug: melperone
Target: 5-hydroxytryptamine receptor 1D (GPCR)
Gene: HTR1D
UniProt: P28221 (5HT1D_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.469
Drug: melperone
Target: Cytochrome P450 2D6 (Enzyme)
Gene: CYP2D6
UniProt: P10635 (CP2D6_HUMAN)
Organism: Homo sapiens
Drug: melperone
Target: D(4) dopamine receptor (GPCR)
Gene: DRD4
UniProt: P21917 (DRD4_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.387
Drug: melphalan
Target: L-type amino acid transporter 1 (Transporter)
Gene: Slc7a5
UniProt: Q63016 (LAT1_RAT)
Organism: Rattus norvegicus
Activity: Ki = 4.26
Assay: Inhibition of LAT1-mediated L-[14C]leucine uptake in Sprague-Dawley rat brain by duel-labeled liquid scintillation counting
Drug: memantine
Target: 5-hydroxytryptamine receptor 3A (Ion channel)
Gene: HTR3A
UniProt: P46098 (5HT3A_HUMAN)
Organism: Homo sapiens
Drug: memantine
Target: Glutamate receptor ionotropic, NMDA 3A (Ion channel)
Gene: GRIN3A
UniProt: Q8TCU5 (NMD3A_HUMAN)
Organism: Homo sapiens
Action type: NEGATIVE ALLOSTERIC MODULATOR
Drug: memantine
Target: Glutamate receptor ionotropic, NMDA 1 (Ion channel)
Gene: GRIN1
UniProt: Q05586 (NMDZ1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.02
Action type: NEGATIVE ALLOSTERIC MODULATOR
Assay: Inhibition of NMDA NR1/NR2B receptor expressed in xenopus oocytes assessed as inhibition of NMDA and glycine-induced current response by two-electrode voltage clamp assay
Drug: memantine
Target: Solute carrier family 22 member 1 (Transporter)
Gene: SLC22A1
UniProt: O15245 (S22A1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.57
Assay: Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells by confocal microscopy
Drug: memantine
Target: Glutamate receptor ionotropic, NMDA 2C (Ion channel)
Gene: Grin2c
UniProt: Q00961 (NMDE3_RAT)
Organism: Rattus norvegicus
Activity: Ki = 6.15
Assay: Compound with the N-methyl-D-aspartate glutamate receptor blocking activity
Drug: memantine
Target: Glutamate NMDA receptor; GRIN1/GRIN2B (Ion channel)
Gene: GRIN1|GRIN2B
UniProt: Q05586|Q13224 (NMDZ1_HUMAN|NMDE2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.26
Action type: NEGATIVE ALLOSTERIC MODULATOR
Assay: Inhibition of dexamethasone-induced human NR1-1a/NR2B receptor-mediated excitotoxicity in (S)-glutamate/glycine-stimulated mouse L13-E6 cells assessed as LDH release after 30 mins
Drug: memantine
Target: Glutamate NMDA receptor; GRIN1/GRIN2A (Ion channel)
Gene: GRIN1|GRIN2A
UniProt: Q05586|Q12879 (NMDZ1_HUMAN|NMDE1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 9.02
Action type: NEGATIVE ALLOSTERIC MODULATOR
Assay: Antagonist activity at recombinant GluN1/GluN2A receptor (unknown origin) expressed in Xenopus laevis oocytes assessed as inhibition of glycine/glutamate-induced inward current at -70mV by two-electrode voltage clamp assay
Drug: menadione
Target: Aldehyde oxidase (Enzyme)
Gene: AOX1
UniProt: Q06278 (AOXA_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4
Assay: Inhibition of aldehyde oxidase in human liver cytosolic fraction using methyl-nicotinamide substrate incubated for 120 mins by HPLC analysis
Drug: menadione
Target: Glutathione reductase, mitochondrial (Enzyme)
Gene: GSR
UniProt: P00390 (GSHR_HUMAN)
Organism: Homo sapiens
Activity: Ki = 4.92
Assay: Inhibitory concentration against human glutathione reductase (In presence of glutathione disulfide)
Drug: menadione
Target: Amine oxidase [flavin-containing] B (Enzyme)
Gene: MAOB
UniProt: P27338 (AOFB_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.4
Assay: Competitive inhibition of human recombinant MAO-B expressed in baculovirus infected insect cells using benzylamine as substrate by Lineweaver-Burk plot analysis
Drug: menadione
Target: Amine oxidase [flavin-containing] A (Enzyme)
Gene: MAOA
UniProt: P21397 (AOFA_HUMAN)
Organism: Homo sapiens
Activity: Ki = 4.59
Assay: Competitive inhibition of human recombinant MAO-A expressed in baculovirus infected insect cells using p-tyramine as substrate by Lineweaver-Burk plot analysis
Drug: menadione
Target: Indoleamine 2,3-dioxygenase 1 (Enzyme)
Gene: IDO1
UniProt: P14902 (I23O1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6
Assay: Inhibition of purified human recombinant IDO
Drug: menadione
Target: M-phase inducer phosphatase 2 (Enzyme)
Gene: CDC25B
UniProt: P30305 (MPIP2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.66
Assay: Inhibition of MBP-fused recombinant wild type CDC25B3 using fluorescein 3,6 diphosphate as substrate measured for 30 mins in presence of 1 mM dithiothreitol
Drug: menadione
Target: Trypanothione reductase (Enzyme)
Gene: TPR
UniProt: P28593 (TYTR_TRYCR)
Organism: Trypanosoma cruzi
Activity: IC50 = 4.26
Assay: Concentration required for inhibition of Trypanothione reductase (TcTR) from Trypanosoma cruzi in the presence of 50 uM TS2 as substrate
Drug: menadione
Target: Dual specificity phosphatase Cdc25C (Enzyme)
Gene: CDC25C
UniProt: P30307 (MPIP3_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.73
Assay: Inhibitory concentration for human cell division cycle 25 degree C phosphatase
Drug: menadione
Target: Ubiquitin carboxyl-terminal hydrolase isozyme L3 (Enzyme)
Gene: UCHL3
UniProt: P15374 (UCHL3_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.15
Assay: Inhibition of UCHL3 in human H1299 cells
Drug: menadione
Target: Dual specificity phosphatase Cdc25A (Enzyme)
Gene: CDC25A
UniProt: P30304 (MPIP1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.16
Assay: Inhibition of recombinant Cdc25A (unknown origin) using OMFP as substrate measured every 30 sec for 10 mins by fluorometric assay
Drug: menadione
Target: Dual specificity protein phosphatase 6 (Enzyme)
Gene: Dusp6
UniProt: Q64346 (DUS6_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 4.69
Assay: Inhibition of histidine-tagged rat recombinant MKP3 catalytic domain expressed in Escherichia coli BL21(DE3)
Drug: menadione
Target: Dual specificity protein phosphatase 1 (Enzyme)
Gene: Dusp1
UniProt: P28563 (DUS1_MOUSE)
Organism: Mus musculus
Activity: IC50 = 4.62
Assay: Inhibition of histidine-tagged mouse MKP1 catalytic domain expressed in human Hela cells
Drug: menadione
Target: M-phase inducer phosphatase 1 (Enzyme)
Gene: CDC25A
UniProt: P30304 (MPIP1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.16
Assay: Inhibition of recombinant Cdc25A (unknown origin) using OMFP as substrate measured every 30 sec for 10 mins by fluorometric assay
Drug: menadione sodium bisulfite
Target: Aldose reductase (Enzyme)
Gene: Akr1b1
UniProt: P07943 (ALDR_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 4.09
Assay: Inhibitory activity measured against rat lens aldose reductase using 3-pyridinecarboxaldehyde as substrate
Drug: menatetrenone
Target: Cruzipain (Enzyme)
UniProt: P25779 (CYSP_TRYCR)
Organism: Trypanosoma cruzi
Activity: IC50 = 4.74
Assay: Inhibition of Trypanosoma cruzi cruzaine preincubated for 5 mins before substrate addition by fluorescence assay in absence of Triton X-100
Drug: pecazine
Target: Alpha-2A adrenergic receptor (GPCR)
Gene: ADRA2A
UniProt: P08913 (ADA2A_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.263
Assay: DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)
Drug: pecazine
Target: Sigma non-opioid intracellular receptor 1 (Membrane receptor)
Gene: SIGMAR1
UniProt: Q99720 (SGMR1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.119
Assay: DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol)
Drug: pecazine
Target: Sodium-dependent noradrenaline transporter (Transporter)
Gene: SLC6A2
UniProt: P23975 (SC6A2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.73
Assay: DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)
Drug: pecazine
Target: 5-hydroxytryptamine receptor 2A (GPCR)
Gene: HTR2A
UniProt: P28223 (5HT2A_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.959
Assay: DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin)
Drug: pecazine
Target: 5-hydroxytryptamine receptor 2B (GPCR)
Gene: HTR2B
UniProt: P41595 (5HT2B_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.485
Assay: DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)
Drug: pecazine
Target: 5-hydroxytryptamine receptor 2C (GPCR)
Gene: HTR2C
UniProt: P28335 (5HT2C_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.587
Assay: DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)
Drug: pecazine
Target: 5-hydroxytryptamine receptor 6 (GPCR)
Gene: HTR6
UniProt: P50406 (5HT6R_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.069
Assay: DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT6 radioligand binding (ligand: [3H] Lysergic acid diethylamide)
Drug: pecazine
Target: Alpha-2B adrenergic receptor (GPCR)
Gene: ADRA2B
UniProt: P18089 (ADA2B_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.742
Assay: DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)