AIM-Harvard/TrialPanorama-filtered huggingface dataset:
Drug: etoxadrol
Target: Glutamate NMDA receptor (Ion channel)
Gene: Grin1|Grin2a|Grin2b|Grin2c|Grin2d|Grin3b|Grin3a
UniProt: P35439|Q00959|Q00960|Q00961|Q62645|Q8VHN2|Q9R1M7 (NMDZ1_RAT|NMDE1_RAT|NMDE2_RAT|NMDE3_RAT|NMDE4_RAT|NMD3B_RAT|NMD3A_RAT)
Organism: Rattus norvegicus
Activity: Ki = 6.97
Assay: Displacement of [3H]TCP from tissue homogenate preparation of whole rat brain minus cerebellum
Drug: evans blue
Target: Tyrosine-protein phosphatase non-receptor type 1 (Enzyme)
Gene: PTPN1
UniProt: P18031 (PTN1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.89
Assay: Inhibition of human PTPase 1B
Drug: evans blue
Target: Tyrosine-protein phosphatase 1 (Enzyme)
Gene: PTP1
UniProt: P25044 (PTP1_YEAST)
Organism: Saccharomyces cerevisiae (strain ATCC 204508 / S288c)
Activity: IC50 = 5.92
Assay: Inhibitory activity against Saccharomyces cerevisiae Tyrosine phosphatase 1
Drug: evans blue
Target: Vesicular glutamate transporter 3 (Transporter)
Gene: Slc17a8
UniProt: Q7TSF2 (VGLU3_RAT)
Organism: Rattus norvegicus
Activity: Ki = 7.4
Assay: Evaluated for competitive inhibition against Vesicular glutamate transporter (VGLUT), and Ki value was reported.
Drug: evans blue
Target: Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Enzyme)
Gene: ENPP2
UniProt: Q13822 (ENPP2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.08
Assay: Competitive inhibition of human recombinant C-terminal FLAG-tagged autotaxin expressed in baculovirus-infected Sf9 cells assessed as FS-3 hydrolysis by Michaelis-Menten method
Drug: evans blue
Target: Luciferin 4-monooxygenase (Unclassified)
UniProt: P08659 (LUCI_PHOPY)
Organism: Photinus pyralis
Activity: IC50 = 5.77
Assay: Inhibition of Photinus pyralis luciferase
Drug: exisulind
Target: Endothelin-1 receptor (GPCR)
Gene: EDNRA
UniProt: P25101 (EDNRA_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.217
Assay: DRUGMATRIX: Endothelin ETA radioligand binding (ligand: [125I] Endothelin-1)
Drug: exisulind
Target: Aldose reductase (Enzyme)
Gene: Akr1b1
UniProt: P07943 (ALDR_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 6.57
Assay: DRUGMATRIX: Aldose Reductase enzyme inhibition (substrate: DL-Glyceraldehyde)
Drug: exisulind
Target: Mitogen-activated protein kinase 1 (Kinase)
Gene: MAPK1
UniProt: P28482 (MK01_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.859
Assay: DRUGMATRIX: Protein Serine/Threonine Kinase, ERK2 enzyme inhibition (substrate: Myelin Basic Protein)
Drug: femoxetine
Target: D(2) dopamine receptor (GPCR)
Gene: DRD2
UniProt: P14416 (DRD2_HUMAN)
Organism: Homo sapiens
Activity: Ki  6.229
Drug: femoxetine
Target: Sodium-dependent serotonin transporter (Transporter)
Gene: SLC6A4
UniProt: P31645 (SC6A4_HUMAN)
Organism: Homo sapiens
Activity: Ki  7.959
Drug: femoxetine
Target: Sodium-dependent noradrenaline transporter (Transporter)
Gene: SLC6A2
UniProt: P23975 (SC6A2_HUMAN)
Organism: Homo sapiens
Activity: Ki  6.119
Drug: femoxetine
Target: 5-hydroxytryptamine receptor 1A (GPCR)
Gene: HTR1A
UniProt: P08908 (5HT1A_HUMAN)
Organism: Homo sapiens
Activity: Ki  5.641
Drug: femoxetine
Target: Histamine H1 receptor (GPCR)
Gene: HRH1
UniProt: P35367 (HRH1_HUMAN)
Organism: Homo sapiens
Activity: Ki  5.377
Drug: femoxetine
Target: Muscarinic acetylcholine receptor M1 (GPCR)
Gene: CHRM1
UniProt: P11229 (ACM1_HUMAN)
Organism: Homo sapiens
Activity: Ki  7.036
Drug: femoxetine
Target: Muscarinic acetylcholine receptor M2 (GPCR)
Gene: CHRM2
UniProt: P08172 (ACM2_HUMAN)
Organism: Homo sapiens
Activity: Ki  6.824
Drug: femoxetine
Target: Muscarinic acetylcholine receptor M3 (GPCR)
Gene: CHRM3
UniProt: P20309 (ACM3_HUMAN)
Organism: Homo sapiens
Activity: Ki  6.658
Drug: femoxetine
Target: Muscarinic acetylcholine receptor M4 (GPCR)
Gene: CHRM4
UniProt: P08173 (ACM4_HUMAN)
Organism: Homo sapiens
Activity: Ki  6.328
Drug: femoxetine
Target: Muscarinic acetylcholine receptor M5 (GPCR)
Gene: CHRM5
UniProt: P08912 (ACM5_HUMAN)
Organism: Homo sapiens
Activity: Ki  6.398
Drug: femoxetine
Target: Sodium-dependent dopamine transporter (Transporter)
Gene: SLC6A3
UniProt: Q01959 (SC6A3_HUMAN)
Organism: Homo sapiens
Activity: Ki  5.688
Drug: femoxetine
Target: Sodium-dependent dopamine transporter (Transporter)
Gene: Slc6a3
UniProt: Q61327 (SC6A3_MOUSE)
Organism: Mus musculus
Activity: Ki = 8.04
Assay: Tested in vitro for serotonin(5-HT) neuronal uptake inhibition
Drug: femoxetine
Target: Sodium-dependent noradrenaline transporter (Transporter)
Gene: Slc6a2
UniProt: O55192 (SC6A2_MOUSE)
Organism: Mus musculus
Activity: Ki = 6.92
Assay: Tested in vitro for norepinephrine (NE) neuronal uptake inhibition
Drug: fendosal
Target: Plasminogen activator inhibitor 1 (Secreted)
Gene: SERPINE1
UniProt: P05121 (PAI1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.824
Action type: INHIBITOR
Drug: fenoxazoline
Target: Nischarin (Membrane receptor)
Gene: NISCH
UniProt: Q9Y2I1 (NISCH_HUMAN)
Organism: Homo sapiens
Activity: Ki = 8.7
Drug: fenticlor
Target: Uracil-DNA glycosylase (Enzyme)
Gene: UNG
UniProt: P04303 (UNG_VACCW)
Organism: Vaccinia virus (strain Western Reserve)
Activity: IC50 = 4.41
Assay: Inhibition of Vaccinia virus WR strain processivity factor D4 interaction with A20 protein assessed as inhibition of E9 DNA polymerase-mediated DIG-dUTP incorporation into DNA strand by rapid plate assay
Drug: fumaric acid
Target: Egl nine homolog 1 (Enzyme)
Gene: EGLN1
UniProt: Q9GZT9 (EGLN1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.72
Assay: Inhibition of 2-oxoglutarate-dependent human recombinant HIF PHD2 preincubated for 1 hr
Drug: flusalan
Target: Kappa-type opioid receptor (GPCR)
Gene: OPRK1
UniProt: P41145 (OPRK_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.8
Assay: Ability to induce 50% of maximal effect in rabbit vas deferens expressing Opioid receptor kappa 1
Drug: flusalan
Target: Mu-type opioid receptor (GPCR)
Gene: Oprm1
UniProt: P42866 (OPRM_MOUSE)
Organism: Mus musculus
Activity: IC50 = 8.07
Assay: Ability to induce 50% of maximal effect in mouse vas deferens expressing Opioid receptor delta 1
Drug: flusalan
Target: Mu-type opioid receptor (GPCR)
Gene: OPRM1
UniProt: P97266 (OPRM_CAVPO)
Organism: Cavia porcellus
Activity: IC50 = 7.92
Assay: Ability to induce 50% of maximal effect in guinea pig ileum expressing Opioid receptor mu 1
Drug: fosfestrol
Target: Estrogen receptor (Nuclear hormone receptor)
Gene: ESR1|ESR2
UniProt: P03372|Q92731 (ESR1_HUMAN|ESR2_HUMAN)
Organism: Homo sapiens
Action type: AGONIST
Assay: Mechanism of Action; CHEMBL2093866; PROTEIN FAMILY
Drug: fospropofol
Target: GABA-A receptor (Ion channel)
Gene: GABRD|GABRA1|GABRB1|GABRG2|GABRB3|GABRA5|GABRA3|GABRA2|GABRB2|GABRA4|GABRA6|GABRG1|GABRG3
UniProt: O14764|P14867|P18505|P18507|P28472|P31644|P34903|P47869|P47870|P48169|Q16445|Q8N1C3|Q99928 (GBRD_HUMAN|GBRA1_HUMAN|GBRB1_HUMAN|GBRG2_HUMAN|GBRB3_HUMAN|GBRA5_HUMAN|GBRA3_HUMAN|GBRA2_HUMAN|GBRB2_HUMAN|GBRA4_HUMAN|GBRA6_HUMAN|GBRG1_HUMAN|GBRG3_HUMAN)
Organism: Homo sapiens
Action type: POSITIVE ALLOSTERIC MODULATOR
Assay: Mechanism of Action
Drug: fumagillin
Target: Methionine aminopeptidase 2 (Enzyme)
Gene: METAP2
UniProt: P50579 (MAP2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 9.2
Assay: Inhibitory activity against Methionine aminopeptidase 2
Drug: furtrethonium
Target: Muscarinic acetylcholine receptor M1 (GPCR)
Gene: CHRM1
UniProt: P11229 (ACM1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 4.1
Action type: AGONIST
Drug: furtrethonium
Target: Muscarinic acetylcholine receptor M2 (GPCR)
Gene: CHRM2
UniProt: P08172 (ACM2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 4.5
Action type: AGONIST
Drug: furtrethonium
Target: Muscarinic acetylcholine receptor M3 (GPCR)
Gene: CHRM3
UniProt: P20309 (ACM3_HUMAN)
Organism: Homo sapiens
Activity: Ki = 4.1
Action type: AGONIST
Drug: furtrethonium
Target: Muscarinic acetylcholine receptor M4 (GPCR)
Gene: CHRM4
UniProt: P08173 (ACM4_HUMAN)
Organism: Homo sapiens
Activity: Ki = 4.3
Action type: AGONIST
Drug: gabexate
Target: Urokinase-type plasminogen activator (Enzyme)
Gene: PLAU
UniProt: P00749 (UROK_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.37
Assay: Inhibition of human uPA using pyro-Glu-Gly-Arg-pNA as substrate assessed as para-nitroaniline release from substrate measured for 5 mins by spectrophotometric assay
Drug: gabexate
Target: Plasminogen (Enzyme)
Gene: PLG
UniProt: P00747 (PLMN_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.81
Assay: Inhibition of human plasma plasmin using pyroGlu-Pro-Arg-pNA-HCl as substrate measured for 5 mins by spectrophotometric assay
Drug: gabexate
Target: Prothrombin (Enzyme)
Gene: F2
UniProt: P00734 (THRB_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.16
Assay: Inhibition of human plasma thrombin using pyroGlu-Pro-Arg-pNA-HCl as substrate measured for 5 mins by spectrophotometric assay
Drug: gabexate
Target: Coagulation factor X (Enzyme)
Gene: F10
UniProt: P00742 (FA10_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.34
Assay: Inhibition of purified human factor 10a using Suc-Ile-Glu(gammaPip)-GlyArg-pNa-HCl as substrate measured for 5 mins by spectrophotometric assay
Drug: gabexate
Target: Tissue-type plasminogen activator (Enzyme)
Gene: PLAT
UniProt: P00750 (TPA_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.81
Assay: Inhibition of recombinant human tPA using H-D-Ile-Pro-L-Arg-pNA-2HCl as substrate measured for 5 mins by spectrophotometric assay
Drug: gabexate
Target: Plasma kallikrein (Enzyme)
Gene: KLKB1
UniProt: P03952 (KLKB1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.87
Assay: Inhibition of human plasma kallikrein using D-Pro-Phe-Arg-pNA-2HCl as substrate measured for 5 mins by spectrophotometric assay
Drug: gabexate
Target: Membrane primary amine oxidase (Enzyme)
Gene: Aoc3
UniProt: O08590 (AOC3_RAT)
Organism: Rattus norvegicus
Activity: Ki = 4.57
Assay: Inhibitory activity against porcine kidney amine oxidase
Drug: gabexate
Target: Solute carrier family 22 member 2 (Transporter)
Gene: SLC22A2
UniProt: O15244 (S22A2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.05
Assay: Inhibition of human OCT2-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay
Drug: gabexate
Target: Multidrug and toxin extrusion protein 1 (Transporter)
Gene: SLC47A1
UniProt: Q96FL8 (S47A1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.3
Assay: Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay
Drug: gabexate
Target: Multidrug and toxin extrusion protein 2 (Transporter)
Gene: SLC47A2
UniProt: Q86VL8 (S47A2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.97
Assay: Inhibition of human MATE2K-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay
Drug: gabexate
Target: Tryptase alpha/beta-1 (Enzyme)
Gene: TPSAB1
UniProt: Q15661 (TRYB1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8.47
Action type: INHIBITOR
Drug: gabexate
Target: Serine protease hepsin (Enzyme)
Gene: HPN
UniProt: P05981 (HEPS_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.42
Assay: Inhibition of recombinant C-terminal His10-tagged human Hepsin (R45 to L17 residues) D161E/ R162K double mutant expressed in mouse NS0 cells using Boc-QRR-AMC as substrate after 15 mins by automated fluorescence assay
Drug: gentisic acid
Target: Carbonic anhydrase 2 (Enzyme)
Gene: CA2
UniProt: P00918 (CAH2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.39
Assay: Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assay
Drug: gentisic acid
Target: Carbonic anhydrase 1 (Enzyme)
Gene: CA1
UniProt: P00915 (CAH1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.38
Assay: Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration stopped-flow assay
Drug: gentisic acid
Target: Carbonic anhydrase 9 (Enzyme)
Gene: CA9
UniProt: Q16790 (CAH9_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.18
Assay: Inhibition of human carbonic anhydrase 9 preincubated for 15 mins by CO2 hydration stopped-flow assay
Drug: gentisic acid
Target: Carbonic anhydrase 12 (Enzyme)
Gene: CA12
UniProt: O43570 (CAH12_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.14
Assay: Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration stopped-flow assay
Drug: gentisic acid
Target: Arachidonate 5-lipoxygenase (Enzyme)
Gene: ALOX5
UniProt: P09917 (LOX5_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.12
Assay: Inhibition of human recombinant 5-lipoxygenase after 10 mins by fluorescence assay
Drug: gentisic acid
Target: Carbonic anhydrase 7 (Enzyme)
Gene: CA7
UniProt: P43166 (CAH7_HUMAN)
Organism: Homo sapiens
Activity: Ki = 4.17
Assay: Inhibition of human carbonic anhydrase 7 preincubated for 15 mins by CO2 hydration stopped-flow assay
Drug: gentisic acid
Target: Carbonic anhydrase 14 (Enzyme)
Gene: CA14
UniProt: Q9ULX7 (CAH14_HUMAN)
Organism: Homo sapiens
Activity: Ki = 4.17
Assay: Inhibition of human carbonic anhydrase 14 preincubated for 15 mins by CO2 hydration stopped-flow assay
Drug: hexamidine
Target: Urokinase-type plasminogen activator (Enzyme)
Gene: PLAU
UniProt: P00749 (UROK_HUMAN)
Organism: Homo sapiens
Activity: Ki = 4.84
Assay: compound was tested for inhibitory activity against Urokinase-type plasminogen activator (microPa)
Drug: hexamidine
Target: Prothrombin (Enzyme)
Gene: F2
UniProt: P00734 (THRB_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.65
Assay: compound was tested for inhibitory activity against Thrombin
Drug: hexamidine
Target: Trypsin-1 (Enzyme)
Gene: PRSS1
UniProt: P07477 (TRY1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.57
Assay: Inhibition of trypsin by amidase assay.
Drug: hexamidine
Target: Suppressor of tumorigenicity 14 protein (Enzyme)
Gene: ST14
UniProt: Q9Y5Y6 (ST14_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.03
Assay: compound was tested for inhibitory activity against Matriptase
Drug: hexamidine
Target: Protein arginine N-methyltransferase 1 (Enzyme)
Gene: PRMT1
UniProt: Q99873 (ANM1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.28
Assay: Inhibition of PRMT1 (unknown origin) assessed as reduction in methyl transfer from [3H]-SAM to biotinylated histone H4 peptide H4-20-Biotin at 10 uM pre-incubated for 3 mins before [3H]-SAM addition and measured after 15 mins by scintillation proximity assay
Drug: hydroquinone
Target: Carbonic anhydrase 2 (Enzyme)
Gene: CA2
UniProt: P00918 (CAH2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.05
Assay: Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydrase assay
Drug: hydroquinone
Target: Carbonic anhydrase 1 (Enzyme)
Gene: CA1
UniProt: P00915 (CAH1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 4.97
Assay: Inhibition of human carbonic anhydrase 1 by stopped-flow CO2 hydrase assay
Drug: hydroquinone
Target: Carbonic anhydrase 4 (Enzyme)
Gene: CA4
UniProt: P22748 (CAH4_HUMAN)
Organism: Homo sapiens
Activity: Ki = 4.97
Assay: Inhibition of human carbonic anhydrase 4 by stopped-flow CO2 hydration assay
Drug: hydroquinone
Target: Carbonic anhydrase 9 (Enzyme)
Gene: CA9
UniProt: Q16790 (CAH9_HUMAN)
Organism: Homo sapiens
Activity: Ki = 4.49
Assay: Inhibition of human carbonic anhydrase 9 catalytic domain by stopped-flow CO2 hydration assay
Drug: hydroquinone
Target: Carbonic anhydrase 12 (Enzyme)
Gene: CA12
UniProt: O43570 (CAH12_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.11
Assay: Inhibition of human carbonic anhydrase 12 catalytic domain by stopped-flow CO2 hydration assay
Drug: hydroquinone
Target: Carbonic anhydrase 5A, mitochondrial (Enzyme)
Gene: CA5A
UniProt: P35218 (CAH5A_HUMAN)
Organism: Homo sapiens
Activity: Ki = 4.85
Assay: Inhibition of human carbonic anhydrase 5A by stopped-flow CO2 hydration assay
Drug: hydroquinone
Target: Carbonic anhydrase 5B, mitochondrial (Enzyme)
Gene: CA5B
UniProt: Q9Y2D0 (CAH5B_HUMAN)
Organism: Homo sapiens
Activity: Ki = 4.9
Assay: Inhibition of human carbonic anhydrase 5B by stopped-flow CO2 hydration assay
Drug: hydroquinone
Target: Carbonic anhydrase 3 (Enzyme)
Gene: CA3
UniProt: P07451 (CAH3_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.09
Assay: Inhibition of human carbonic anhydrase 3 by stopped-flow CO2 hydration assay
Drug: hydroquinone
Target: Carbonic anhydrase 14 (Enzyme)
Gene: CA14
UniProt: Q9ULX7 (CAH14_HUMAN)
Organism: Homo sapiens
Activity: Ki = 4.38
Assay: Inhibition of human carbonic anhydrase 14 by stopped-flow CO2 hydration assay
Drug: hydroquinone
Target: Carbonic anhydrase 13 (Enzyme)
Gene: Ca13
UniProt: Q9D6N1 (CAH13_MOUSE)
Organism: Mus musculus
Activity: Ki = 4.13
Assay: Inhibition of mouse carbonic anhydrase 13 by stopped-flow CO2 hydration assay
Drug: hydroquinone
Target: Acetylcholinesterase (Enzyme)
Gene: ache
UniProt: O42275 (ACES_ELEEL)
Organism: Electrophorus electricus
Activity: Ki = 8.91
Assay: Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Lineweaver-Burk plot analysis
Drug: hydroquinone
Target: Polyphenol oxidase 2 (Enzyme)
Gene: PPO2
UniProt: O42713 (PPO2_AGABI)
Organism: Agaricus bisporus
Activity: IC50 = 5.01
Assay: Inhibition of mushroom tyrosinase activity after 20 mins
Drug: hydroquinone
Target: Carbonic anhydrase 15 (Enzyme)
Gene: Ca15
UniProt: Q99N23 (CAH15_MOUSE)
Organism: Mus musculus
Activity: Ki = 4.97
Assay: Inhibition of mouse recombinant carbonic anhydrase 15 by stopped-flow CO2 hydrase assay
Drug: hydroquinone
Target: Carbonic anhydrase (Enzyme)
Gene: ca
UniProt: Q2PCB5 (Q2PCB5_DICLA)
Organism: Dicentrarchus labrax
Activity: Ki = 5.23
Assay: Inhibition of Dicentrarchus labrax CA using 4-nitrophenylacetate substrate by esterase assay
Drug: oxyquinoline
Target: 72 kDa type IV collagenase (Enzyme)
Gene: MMP2
UniProt: P08253 (MMP2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 3.89
Assay: Inhibition of human recombinant MMP2 after 30 mins
Drug: oxyquinoline
Target: Catechol O-methyltransferase (Enzyme)
Gene: COMT
UniProt: P21964 (COMT_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.8
Assay: Inhibition of c-terminal hexa-His tagged human MB-COMT expressed in HEK293 cell membrane homogenate using norepinephrine as substrate after 1 hr in presence of SAM by MTase glo methyltransferase assay
Drug: oxyquinoline
Target: Methionine aminopeptidase 2 (Enzyme)
Gene: METAP2
UniProt: P50579 (MAP2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.69
Assay: Inhibition of human methionine aminopeptidase 2
Drug: oxyquinoline
Target: Catechol O-methyltransferase (Enzyme)
Gene: Comt
UniProt: P22734 (COMT_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 4.67
Assay: Inhibition of Sprague-Dawley rat liver COMT after 10 mins using 0.05 uCi [14CH3]-SAM as substrate
Drug: oxyquinoline
Target: Methionine aminopeptidase 1 (Enzyme)
Gene: METAP1
UniProt: P53582 (MAP11_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.67
Assay: Inhibition of human MetAP1
Drug: oxyquinoline
Target: Bacterial leucyl aminopeptidase (Enzyme)
UniProt: Q01693 (AMPX_VIBPR)
Organism: Vibrio proteolyticus
Activity: Ki = 6.8
Drug: ibufenac
Target: Prostaglandin G/H synthase 2 (Enzyme)
Gene: Ptgs2
UniProt: Q05769 (PGH2_MOUSE)
Organism: Mus musculus
Activity: IC50 = 5.26
Assay: Inhibition of mouse COX2-mediated 2-arachidonoylglycerol oxygenation preincubated for 3 mins before 2-arachidonoylglycerol addition measured after 30 seconds
Drug: iloperidone
Target: D(1A) dopamine receptor (GPCR)
Gene: DRD1
UniProt: P21728 (DRD1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.67
Drug: iloperidone
Target: D(2) dopamine receptor (GPCR)
Gene: DRD2
UniProt: P14416 (DRD2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 8.969
Action type: ANTAGONIST
Drug: iloperidone
Target: Alpha-2A adrenergic receptor (GPCR)
Gene: ADRA2A
UniProt: P08913 (ADA2A_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.79
Drug: iloperidone
Target: Sigma non-opioid intracellular receptor 1 (Membrane receptor)
Gene: SIGMAR1
UniProt: Q99720 (SGMR1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.19
Assay: Binding affinity against sigma receptor using [3H]-( +)-SKF10,047 radioligand
Drug: iloperidone
Target: Sodium-dependent noradrenaline transporter (Transporter)
Gene: SLC6A2
UniProt: P23975 (SC6A2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.83
Drug: iloperidone
Target: 5-hydroxytryptamine receptor 1A (GPCR)
Gene: HTR1A
UniProt: P08908 (5HT1A_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.181
Drug: iloperidone
Target: 5-hydroxytryptamine receptor 2A (GPCR)
Gene: HTR2A
UniProt: P28223 (5HT2A_HUMAN)
Organism: Homo sapiens
Activity: Ki = 9.859
Action type: ANTAGONIST
Drug: iloperidone
Target: 5-hydroxytryptamine receptor 2C (GPCR)
Gene: HTR2C
UniProt: P28335 (5HT2C_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.227
Drug: iloperidone
Target: 5-hydroxytryptamine receptor 6 (GPCR)
Gene: HTR6
UniProt: P50406 (5HT6R_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.37
Drug: iloperidone
Target: 5-hydroxytryptamine receptor 7 (GPCR)
Gene: HTR7
UniProt: P34969 (5HT7R_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.66
Drug: iloperidone
Target: Alpha-1A adrenergic receptor (GPCR)
Gene: ADRA1A
UniProt: P35348 (ADA1A_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.44
Drug: iloperidone
Target: Alpha-2B adrenergic receptor (GPCR)
Gene: ADRA2B
UniProt: P18089 (ADA2B_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.79
Drug: iloperidone
Target: D(3) dopamine receptor (GPCR)
Gene: DRD3
UniProt: P35462 (DRD3_HUMAN)
Organism: Homo sapiens
Activity: Ki = 8.15
Drug: iloperidone
Target: D(1B) dopamine receptor (GPCR)
Gene: DRD5
UniProt: P21918 (DRD5_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.496
Drug: iloperidone
Target: Histamine H1 receptor (GPCR)
Gene: HRH1
UniProt: P35367 (HRH1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.91
Drug: iloperidone
Target: Muscarinic acetylcholine receptor M1 (GPCR)
Gene: CHRM1
UniProt: P11229 (ACM1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.31
Drug: iloperidone
Target: Muscarinic acetylcholine receptor M2 (GPCR)
Gene: CHRM2
UniProt: P08172 (ACM2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.48
Drug: iloperidone
Target: Muscarinic acetylcholine receptor M4 (GPCR)
Gene: CHRM4
UniProt: P08173 (ACM4_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.08
Drug: iloperidone
Target: 5-hydroxytryptamine receptor 1B (GPCR)
Gene: HTR1B
UniProt: P28222 (5HT1B_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.05
Drug: iloperidone
Target: 5-hydroxytryptamine receptor 1D (GPCR)
Gene: HTR1D
UniProt: P28221 (5HT1D_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.824
Drug: iloperidone
Target: Alpha-2C adrenergic receptor (GPCR)
Gene: ADRA2C
UniProt: P18825 (ADA2C_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.79
Drug: iloperidone
Target: Sodium-dependent dopamine transporter (Transporter)
Gene: SLC6A3
UniProt: Q01959 (SC6A3_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.53
Drug: iloperidone
Target: D(4) dopamine receptor (GPCR)
Gene: DRD4
UniProt: P21917 (DRD4_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.6
Drug: iloperidone
Target: Gastrin/cholecystokinin type B receptor (GPCR)
Gene: CCKBR
UniProt: P32239 (GASR_HUMAN)
Organism: Homo sapiens
Activity: Ki  5.03
Drug: iloperidone
Target: D(2) dopamine receptor (GPCR)
Gene: Drd2
UniProt: P61169 (DRD2_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 6.96
Assay: Affinity for dopamine receptor D2 binding sites by its ability to displace [3H]spiperone from rat striatum.
Drug: iloperidone
Target: 5-hydroxytryptamine receptor 1A (GPCR)
Gene: Htr1a
UniProt: P19327 (5HT1A_RAT)
Organism: Rattus norvegicus
Activity: Ki = 6.8
Action type: ANTAGONIST
Drug: iloperidone
Target: 5-hydroxytryptamine receptor 7 (GPCR)
Gene: Htr7
UniProt: P32305 (5HT7R_RAT)
Organism: Rattus norvegicus
Activity: Ki = 7.7
Action type: ANTAGONIST
Drug: iloperidone
Target: Alpha-2A adrenergic receptor (GPCR)
Gene: Adra2a
UniProt: P22909 (ADA2A_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 9.4
Assay: Binding affinity against Alpha-1 adrenergic receptor was determined using [3H]WB-4101 radioligand
Drug: iloperidone
Target: 5-hydroxytryptamine receptor 1A (GPCR)
Gene: Htr1a
UniProt: Q64264 (5HT1A_MOUSE)
Organism: Mus musculus
Activity: IC50 = 6.68
Assay: Binding affinity against 5-hydroxytryptamine 1A receptor was determined using [3H]-8-OH-DPAT radioligand
Drug: iloperidone
Target: D(1A) dopamine receptor (GPCR)
Gene: Drd1
UniProt: Q61616 (DRD1_MOUSE)
Organism: Mus musculus
Activity: IC50 = 6.12
Assay: Binding affinity against Dopamine receptor D1 was determined using [3H]SCH-23390 radioligand