AIM-Harvard/TrialPanorama-filtered huggingface dataset:
Drug: linopirdine
Target: Potassium voltage-gated channel subfamily KQT member 1 (Ion channel)
Gene: Kcnq1
UniProt: P97414 (KCNQ1_MOUSE)
Organism: Mus musculus
Activity: IC50 = 4.4
Action type: INHIBITOR
Drug: diosmetin
Target: Multidrug resistance-associated protein 1 (Transporter)
Gene: ABCC1
UniProt: P33527 (MRP1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.52
Assay: Inhibition of MRP1
Drug: diosmetin
Target: Cytochrome P450 1B1 (Enzyme)
Gene: CYP1B1
UniProt: Q16678 (CP1B1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.54
Assay: Inhibition of human CYP1B1 by EROD assay
Drug: diosmetin
Target: Lysine-specific histone demethylase 1A (Enzyme)
Gene: KDM1A
UniProt: O60341 (KDM1A_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.55
Assay: Inhibition of LSD1 (unknown origin) by fluorescence assay
Drug: diosmetin
Target: Inositol polyphosphate multikinase (Kinase)
Gene: IPMK
UniProt: Q8NFU5 (IPMK_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.14
Assay: Inhibition of human IPMK using insP3 as substrate preincubated for 15 mins followed by substrate and measured after 30 mins by TR-FRET assay
Drug: diosmetin
Target: Inositol hexakisphosphate kinase 2 (Kinase)
Gene: IP6K2
UniProt: Q9UHH9 (IP6K2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.05
Assay: Inhibition of human IP6K2 using insP6 as substrate preincubated for 15 mins followed by substrate and measured after 30 mins by TR-FRET assay
Drug: tonzonium
Target: Insulin-degrading enzyme (Enzyme)
Gene: IDE
UniProt: P14735 (IDE_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 4.27
Assay: PUBCHEM_BIOASSAY: Counterscreen for IDE activators: Fluorescence polarization-based biochemical high throughput dose response assay for activators of recombinant IDE. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493087, AID493124, AID588439, AID588440, AID588442]
Drug: tonzonium
Target: Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Kinase)
Gene: Dyrk1a
UniProt: Q63470 (DYR1A_RAT)
Organism: Rattus norvegicus
Activity: AC50 = 5.03
Assay: active
Drug: clocortolone pivalate
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: trypan blue
Target: Tyrosine-protein phosphatase non-receptor type 1 (Enzyme)
Gene: PTPN1
UniProt: P18031 (PTN1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.41
Assay: Inhibition of human PTPase 1B
Drug: trypan blue
Target: Tyrosine-protein phosphatase 1 (Enzyme)
Gene: PTP1
UniProt: P25044 (PTP1_YEAST)
Organism: Saccharomyces cerevisiae (strain ATCC 204508 / S288c)
Activity: IC50 = 5.13
Assay: Inhibitory activity against Saccharomyces cerevisiae Tyrosine phosphatase 1
Drug: testosterone enantate
Target: Androgen receptor (Nuclear hormone receptor)
Gene: AR
UniProt: P10275 (ANDR_HUMAN)
Organism: Homo sapiens
Action type: AGONIST
Assay: Mechanism of Action; CHEMBL1871; SINGLE PROTEIN
Drug: stearic acid
Target: Peroxisome proliferator-activated receptor alpha (Nuclear hormone receptor)
Gene: PPARA
UniProt: Q07869 (PPARA_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.96
Assay: Displacement of [3H]GW2331 from Homo sapiens (human) PPARalpha receptor by scintillation proximity assay
Drug: stearic acid
Target: Peroxisome proliferator-activated receptor gamma (Nuclear hormone receptor)
Gene: PPARG
UniProt: P37231 (PPARG_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.52
Assay: Displacement of [3H]BRL49653 from Homo sapiens (human) PPARgamma receptor by scintillation proximity assay
Drug: stearic acid
Target: Fatty acid-binding protein, adipocyte (Cytosolic other)
Gene: FABP4
UniProt: P15090 (FABP4_HUMAN)
Organism: Homo sapiens
Activity: Kd = 4.1
Assay: Binding affinity against Adipocyte lipid binding protein
Drug: stearic acid
Target: Peroxisome proliferator-activated receptor delta (Nuclear hormone receptor)
Gene: PPARD
UniProt: Q03181 (PPARD_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.22
Assay: Displacement of [3H]GW2433 from Homo sapiens (human) PPARdelta receptor by scintillation proximity assay
Drug: stearic acid
Target: Acetylcholinesterase (Enzyme)
Gene: ache
UniProt: O42275 (ACES_ELEEL)
Organism: Electrophorus electricus
Activity: Ki = 5.44
Assay: Mixed type inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition and measured at 1 min intervals for 30 mins by Cornish-Bowden plot analysis
Drug: N-Acetylglucosamine
Target: Killer cell lectin-like receptor subfamily B member 1A (Unclassified)
Gene: Klrb1a
UniProt: P27471 (KLRBA_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 5.7
Assay: Binding affinity to fluorescein-labeled rat NKR-P1A after 2 hrs by fluorescence assay
Drug: methylnaltrexone
Target: Mu-type opioid receptor (GPCR)
Gene: OPRM1
UniProt: P35372 (OPRM_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.55
Action type: ANTAGONIST
Drug: methylnaltrexone
Target: Cytochrome P450 2D6 (Enzyme)
Gene: CYP2D6
UniProt: P10635 (CP2D6_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.1
Drug: methylnaltrexone
Target: Kappa-type opioid receptor (GPCR)
Gene: OPRK1
UniProt: P41145 (OPRK_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.65
Drug: methylnaltrexone
Target: Delta-type opioid receptor (GPCR)
Gene: OPRD1
UniProt: P41143 (OPRD_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.05
Assay: Displacement of [3H]naltrindole from human delta opioid receptor expressed in CHO cells after 3 hrs by scintillation counting
Drug: methylnaltrexone
Target: Kappa-type opioid receptor (GPCR)
Gene: OPRK1
UniProt: P41144 (OPRK_CAVPO)
Organism: Cavia porcellus
Activity: Ki = 7.7
Assay: Displacement of [3H]DPN from guinea pig kappa opioid receptor expressed in CHOK1 cell membranes
Drug: linolenic acid
Target: Prostaglandin G/H synthase 1 (Enzyme)
Gene: PTGS1
UniProt: P23219 (PGH1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.4
Assay: Inhibition of COX-1 (unknown origin) using arachidonic acid as substrate assessed as formation of prostanoid products preincubated for 10 mins prior to substrate addition measured after 2 mins by Ellman's method
Drug: linolenic acid
Target: Aromatase (Enzyme)
Gene: CYP19A1
UniProt: P11511 (CP19A_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.35
Assay: Inhibition of aromatase in human placental microsomes by radiometric method
Drug: linolenic acid
Target: Peroxisome proliferator-activated receptor alpha (Nuclear hormone receptor)
Gene: PPARA
UniProt: Q07869 (PPARA_HUMAN)
Organism: Homo sapiens
Activity: Kd = 8.1
Assay: Binding affinity to PPAR-alpha (unknown origin) by fluorescence-based assay
Drug: linolenic acid
Target: Peroxisome proliferator-activated receptor gamma (Nuclear hormone receptor)
Gene: PPARG
UniProt: P37231 (PPARG_HUMAN)
Organism: Homo sapiens
Activity: Kd = 5.7
Assay: Binding affinity to PPARgamma
Drug: linolenic acid
Target: Fatty acid-binding protein, heart (Cytosolic other)
Gene: FABP3
UniProt: P05413 (FABPH_HUMAN)
Organism: Homo sapiens
Activity: Kd = 8.56
Assay: Binding affinity to human FABP3 expressed in Escherichia coli BL21 (DE3) in DMPC liposomes by surface plasmon resonance analysis
Drug: linolenic acid
Target: Peroxisome proliferator-activated receptor delta (Nuclear hormone receptor)
Gene: PPARD
UniProt: Q03181 (PPARD_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.8
Assay: Displacement of [3H]GW2433 from Homo sapiens (human) PPARdelta receptor by scintillation proximity assay
Drug: linolenic acid
Target: Free fatty acid receptor 1 (GPCR)
Gene: FFAR1
UniProt: O14842 (FFAR1_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 5.52
Assay: Agonist activity at human FFA1 receptor expressed in human 1321N1 cells measured for 50 intervals of 0.4 secs by calcium mobilization assay
Drug: linolenic acid
Target: Tissue factor (Membrane receptor)
Gene: F3
UniProt: P13726 (TF_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.52
Assay: Inhibition of amidolytic activity of human tissue factor/human factor 7a
Drug: linolenic acid
Target: Prostaglandin G/H synthase 2 (Enzyme)
Gene: PTGS2
UniProt: P79208 (PGH2_SHEEP)
Organism: Ovis aries
Activity: IC50 = 4.92
Assay: Inhibition of sheep COX2-mediated prostaglandin biosynthesis using [1-14C]arachidonic acid
Drug: linolenic acid
Target: Prostaglandin G/H synthase 1 (Enzyme)
Gene: PTGS1
UniProt: O62664 (PGH1_BOVIN)
Organism: Bos taurus
Activity: IC50 = 4.03
Assay: Inhibition of bovine COX1-mediated prostaglandin biosynthesis using [1-14C]arachidonic acid
Drug: levomenol
Target: Neuronal acetylcholine receptor subunit alpha-7 (Ion channel)
Gene: CHRNA7
UniProt: P36544 (ACHA7_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.51
Assay: Antagonist activity at human alpha7 nACHR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced currents at -70 mV holding potential by electrophysiology
Drug: levomenol
Target: Signal transducer and activator of transcription 3 (Transcription factor)
Gene: STAT3
UniProt: P40763 (STAT3_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.14
Assay: Inhibition of IFNgamma-induced STAT3 activation in human HeLa cells expressing p4xM67-tk-Luc treated 30 mins before TNFalpha challenge measured after 6 hrs
Drug: levomefolic acid
Target: Thymidylate synthase (Enzyme)
Gene: TYMS
UniProt: P04818 (TYSY_HUMAN)
Organism: Homo sapiens
Drug: linaclotide
Target: Heat-stable enterotoxin receptor (Enzyme)
Gene: Gucy2c
UniProt: P23897 (GUC2C_RAT)
Organism: Rattus norvegicus
Activity: Ki = 8.38
Action type: AGONIST
Assay: Competitive-inhibition of [<sup>125</sup>I]-STa binding to rat intestinal mucosa
Drug: linaclotide
Target: Heat-stable enterotoxin receptor (Enzyme)
Gene: GUCY2C
UniProt: P25092 (GUC2C_HUMAN)
Organism: Homo sapiens
Activity: Ki = 8.907
Action type: AGONIST
Assay: competitive radioligand binding assay with [125I]-STa
Drug: spinosad
Target: Nicotinic acetylcholine receptor (Ion channel)
UniProt: E0VB18|E0VB20|E0VDF4|E0VDF5|E0VDF7|E0VP62 (E0VB18_PEDHC|E0VB20_PEDHC|E0VDF4_PEDHC|E0VDF5_PEDHC|E0VDF7_PEDHC|E0VP62_PEDHC)
Organism: Pediculus humanus subsp. corporis
Action type: AGONIST
Assay: Mechanism of Action; CHEMBL2364023; PROTEIN COMPLEX GROUP
Drug: phenylacetic acid
Target: Aldose reductase (Enzyme)
Gene: AKR1B1
UniProt: P15121 (ALDR_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.02
Assay: Inhibition of aldose reductase
Drug: sincalide
Target: Cholecystokinin receptor type A (GPCR)
Gene: CCKAR
UniProt: P32238 (CCKAR_HUMAN)
Organism: Homo sapiens
Activity: Ki = 9.55
Assay: Displacement of radiolabeled CCK-8s from human CCK1 receptor
Drug: sincalide
Target: Gastrin/cholecystokinin type B receptor (GPCR)
Gene: CCKBR
UniProt: P32239 (GASR_HUMAN)
Organism: Homo sapiens
Activity: Ki = 9.55
Assay: Tested for the inhibition of [3H]pCCK-8 binding to Cholecystokinin type B receptor in guinea pig brain
Drug: sincalide
Target: Cholecystokinin receptor type A (GPCR)
Gene: Cckar
UniProt: P30551 (CCKAR_RAT)
Organism: Rattus norvegicus
Activity: Ki = 10.05
Assay: Binding affinity for Cholecystokinin type A receptor using [125I]BH-CCK-8 in rat pancreatic tissue
Drug: sincalide
Target: Gastrin/cholecystokinin type B receptor (GPCR)
Gene: Cckbr
UniProt: P30553 (GASR_RAT)
Organism: Rattus norvegicus
Activity: Ki = 9.39
Assay: Binding affinity for Cholecystokinin type B receptor using [125I]-BH-CCK-8 in rat cortex synaptosomes
Drug: sincalide
Target: Gastrin/cholecystokinin type B receptor (GPCR)
Gene: Cckbr
UniProt: P56481 (GASR_MOUSE)
Organism: Mus musculus
Activity: IC50 = 9.52
Assay: Evaluated for inhibition of cholecystokinin type B receptor by displacing [125I]-Bolton hunter CCK-8 radioligand in the mouse cerebral cortex
Drug: sincalide
Target: Cholecystokinin receptor type A (GPCR)
Gene: CCKAR
UniProt: Q63931 (CCKAR_CAVPO)
Organism: Cavia porcellus
Activity: Ki = 9.55
Assay: Inhibition of [3H]pCCK-8 binding to Cholecystokinin type A receptor of Guinea pig pancreatic membranes
Drug: sincalide
Target: Cholecystokinin receptor (GPCR)
Gene: Cckar|Cckbr
UniProt: O08786|P56481 (CCKAR_MOUSE|GASR_MOUSE)
Organism: Mus musculus
Activity: Ki = 9.52
Assay: Potency in displacing [3H]propionyl-Cholecystokinin from mouse brain membranes.
Drug: enzalutamide
Target: Androgen receptor (Nuclear hormone receptor)
Gene: AR
UniProt: P10275 (ANDR_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 7.31
Action type: ANTAGONIST
Assay: Displacement of [3H]R1881 from AR in human MDA-MB-453 cells
Drug: enzalutamide
Target: Androgen receptor (Transcription factor)
Gene: Ar
UniProt: P15207 (ANDR_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 6.53
Assay: Displacement of fluormone-DHT green from His/GST-tagged rat AR ligand binding domain after 4 to 8 hrs by fluorescence polarization assay
Drug: sodium pyrophosphate
Target: Farnesyl pyrophosphate synthase (Enzyme)
Gene: FDPS
UniProt: P14324 (FPPS_HUMAN)
Organism: Homo sapiens
Activity: Ki = 4.53
Assay: Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 after 10 mins
Drug: nitroprusside
Target: Atrial natriuretic peptide receptor 1 (Enzyme)
Gene: NPR1
UniProt: P16066 (ANPRA_HUMAN)
Organism: Homo sapiens
Drug: nitroprusside
Target: Soluble guanylate cyclase (Enzyme)
Gene: GUCY1B2|GUCY1A2|GUCY1A3|GUCY1B3
UniProt: O75343|P33402|Q02108|Q02153 (GCYB2_HUMAN|GCYA2_HUMAN|GCYA3_HUMAN|GCYB1_HUMAN)
Organism: Homo sapiens
Action type: ACTIVATOR
Assay: Mechanism of Action; CHEMBL2111348; PROTEIN COMPLEX GROUP
Drug: trabectedin
Target: Proto-oncogene tyrosine-protein kinase Src (Kinase)
Gene: SRC
UniProt: P12931 (SRC_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.68
Assay: Inhibition of Src
Drug: trabectedin
Target: Nuclear receptor subfamily 1 group I member 2 (Nuclear hormone receptor)
Gene: Nr1i2
UniProt: O54915 (NR1I2_MOUSE)
Organism: Mus musculus
Activity: IC50 = 8.52
Action type: ANTAGONIST
Drug: teriflunomide
Target: Dihydroorotate dehydrogenase (quinone), mitochondrial (Enzyme)
Gene: DHODH
UniProt: Q02127 (PYRD_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.52
Action type: INHIBITOR
Assay: Inhibition of human recombinant DHODH
Drug: teriflunomide
Target: Dihydrofolate reductase (Enzyme)
Gene: DHFR
UniProt: P00374 (DYR_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.41
Assay: Inhibition of recombinant human N-terminal truncated GST-tagged DHFR (31 to 395 residues) expressed in Escherichia coli BL21(DE3) pyrD using DHO as substrate preincubated for 5 mins followed by substrate addition measured for 5 mins by DCIP oxidation based CoQ10 enzyme coupled assay
Drug: teriflunomide
Target: Dihydroorotate dehydrogenase (quinone), mitochondrial (Enzyme)
Gene: Dhodh
UniProt: Q63707 (PYRD_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 8.05
Assay: Inhibitory activity against rat dihydroorotate dehydrogenase
Drug: teriflunomide
Target: Dihydroorotate dehydrogenase (quinone), mitochondrial (Enzyme)
Gene: Dhodh
UniProt: O35435 (PYRD_MOUSE)
Organism: Mus musculus
Activity: IC50 = 7.16
Assay: Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse
Drug: teriflunomide
Target: Dihydroorotate dehydrogenase (Enzyme)
Gene: dhod
UniProt: Q54A96 (Q54A96_PLAFA)
Organism: Plasmodium falciparum
Activity: Ki = 4.66
Assay: Inhibition of ubiquinone binding site of Plasmodium falciparum dihydroorotate dehydrogenase
Drug: Choline C-11
Target: High affinity choline transporter 1 (Transporter)
Gene: Slc5a7
UniProt: Q8BGY9 (SC5A7_MOUSE)
Organism: Mus musculus
Activity: Ki = 6.17
Assay: Inhibition of [3H]choline uptake at choline transporter 1 in mouse brain synaptosome
Drug: rose bengal
Target: Beta-lactamase (Enzyme)
Gene: ampC
UniProt: P00811 (AMPC_ECOLI)
Organism: Escherichia coli (strain K12)
Activity: IC50 = 6.33
Assay: Inhibitory activity against beta-lactamase in the presence of 5 mM KPi concentration of buffer
Drug: rose bengal
Target: Vesicular acetylcholine transporter (Transporter)
Gene: Slc18a3
UniProt: Q62666 (VACHT_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 5.01
Assay: Inhibition of VACHT in rat synaptic vesicles assessed as [3H]HT uptake pretreated for 30 mins measured after 10 mins by scintillation spectrophotometer analysis
Drug: rose bengal
Target: Chymotrypsin C (Enzyme)
Gene: CTRC
UniProt: Q99895 (CTRC_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.3
Assay: Inhibitory activity against chymotrypsinogen
Drug: rose bengal
Target: Beta-galactosidase (Enzyme)
Gene: GLB1
UniProt: P16278 (BGAL_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.1
Assay: Inhibition of Beta-galactosidase
Drug: rose bengal
Target: Protein translocase subunit SecA 1 (Unclassified)
Gene: secA1
UniProt: O06446 (SECA1_STAA8)
Organism: Staphylococcus aureus
Activity: IC50 = 6.3
Assay: Inhibition of Staphylococcus aureus ATCC 35556 SecA1 liposomal ion channel activity in Xenopus laevis oocytes incubated for 3 hrs measured by recording ion current for 1 min
Drug: rose bengal
Target: Protein translocase subunit SecA 2 (Unclassified)
Gene: secA2
UniProt: Q2FUW6 (SECA2_STAA8)
Organism: Staphylococcus aureus
Activity: IC50 = 5.7
Assay: Inhibition of Staphylococcus aureus ATCC 35556 SecA2 expressed in Escherichia coli BL21-gammaDE3 assessed as reduction in intrinsic ATPase activity incubated for 3 hrs measured by malachite green colorimetric method
Drug: levmetamfetamine
Target: Trace amine-associated receptor 1 (GPCR)
Gene: TAAR1
UniProt: Q8HZ64 (TAAR1_MACMU)
Organism: Macaca mulatta
Activity: EC50 = 5.6
Assay: Activation of rhesus monkey TAAR1 expressed in RD-HGA16 cells co-expressing Gq protein assessed as cAMP accumulation by fluorescence plate reader
Drug: levmetamfetamine
Target: Trace amine-associated receptor 1 (GPCR)
Gene: Taar1
UniProt: Q923Y9 (TAAR1_RAT)
Organism: Rattus norvegicus
Activity: EC50 = 6.63
Assay: Activation of rat wild type TAAR1 expressed in HEK293 cells assessed as stimulation of cAMP production after 1 hr by chemiluminescent assay
Drug: levmetamfetamine
Target: Trace amine-associated receptor 1 (GPCR)
Gene: Taar1
UniProt: Q923Y8 (TAAR1_MOUSE)
Organism: Mus musculus
Activity: EC50 = 6.07
Assay: Activation of mouse wild type TAAR1 expressed in HEK293 cells assessed as stimulation of cAMP production after 1 hr by chemiluminescent assay
Drug: levmetamfetamine
Target: Trace amine-associated receptor 1 (GPCR)
Gene: TAAR1
UniProt: Q96RJ0 (TAAR1_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 5.48
Action type: AGONIST
Assay: Activation of C-terminal HA epitope tagged human TAAR1 expressed in RD-HGA16 cells co-expressing Gq protein, Galpha16 by cAMP accumulation assay
Drug: dodecanoic acid
Target: Peroxisome proliferator-activated receptor alpha (Nuclear hormone receptor)
Gene: PPARA
UniProt: Q07869 (PPARA_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.52
Assay: Displacement of [3H]GW2331 from Homo sapiens (human) PPARalpha receptor by scintillation proximity assay
Drug: dodecanoic acid
Target: Peroxisome proliferator-activated receptor gamma (Nuclear hormone receptor)
Gene: PPARG
UniProt: P37231 (PPARG_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.52
Assay: Displacement of [3H]BRL49653 from Homo sapiens (human) PPARgamma receptor by scintillation proximity assay
Drug: dodecanoic acid
Target: Peroxisome proliferator-activated receptor delta (Nuclear hormone receptor)
Gene: PPARD
UniProt: Q03181 (PPARD_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.52
Assay: Displacement of [3H]GW2433 from Homo sapiens (human) PPARdelta receptor by scintillation proximity assay
Drug: dodecanoic acid
Target: Free fatty acid receptor 1 (GPCR)
Gene: FFAR1
UniProt: O14842 (FFAR1_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 6.12
Assay: Agonist activity at FFA1 receptor (unknown origin) expressed in human 132N1 cells measured for 90 secs by Fura-2 AM dye based calcium mobilization assay
Drug: dodecanoic acid
Target: G-protein coupled receptor 84 (GPCR)
Gene: GPR84
UniProt: Q9NQS5 (GPR84_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 5.05
Action type: AGONIST
Drug: fluorometholone acetate
Target: Glucocorticoid receptor (Nuclear hormone receptor)
Gene: NR3C1
UniProt: P04150 (GCR_HUMAN)
Organism: Homo sapiens
Activity: Ki = 8.347
Action type: AGONIST
Drug: eugenol
Target: Prostaglandin G/H synthase 1 (Enzyme)
Gene: PTGS1
UniProt: P23219 (PGH1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.96
Assay: Inhibition of COX1
Drug: eugenol
Target: Arachidonate 5-lipoxygenase (Enzyme)
Gene: ALOX5
UniProt: P09917 (LOX5_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.58
Assay: Inhibition of human PMNL 5-LOX using arachidonic acid as substrate after 5 mins by HPLC method
Drug: regorafenib
Target: Glycine receptor subunit alpha-1 (Ion channel)
Gene: GLRA1
UniProt: P23415 (GLRA1_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 5.74
Drug: regorafenib
Target: Platelet-derived growth factor receptor beta (Kinase)
Gene: PDGFRB
UniProt: P09619 (PGFRB_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8.82
Assay: Inhibition of PDGFR beta (561 to 1106 residues) (unknown origin)
Drug: regorafenib
Target: Mast/stem cell growth factor receptor Kit (Kinase)
Gene: KIT
UniProt: P10721 (KIT_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8.21
Assay: Inhibition of wild type KIT (unknown origin) using biotinylated poly-Glu-Tyr as substrate preincubated for 30 mins followed by substrate addition in presence of ATP by TR-FRET assay
Drug: regorafenib
Target: RAF proto-oncogene serine/threonine-protein kinase (Kinase)
Gene: RAF1
UniProt: P04049 (RAF1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8.82
Assay: Inhibition of RAF1 (unknown origin)
Drug: regorafenib
Target: Serine/threonine-protein kinase B-raf (Kinase)
Gene: BRAF
UniProt: P15056 (BRAF_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.55
Action type: INHIBITOR
Assay: Inhibition of wild-type B-Raf
Drug: regorafenib
Target: Receptor-type tyrosine-protein kinase FLT3 (Kinase)
Gene: FLT3
UniProt: P36888 (FLT3_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.09
Assay: Inhibition of wild type recombinant GST-tagged FLT3 (Y567 to S993 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells using Her2 peptide as substrate measured after 4 hrs in presence of ATP by Kinase-Glo Plus reagent-based luminescence assay
Drug: regorafenib
Target: Vascular endothelial growth factor receptor 1 (Kinase)
Gene: FLT1
UniProt: P17948 (VGFR1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8.82
Assay: Inhibition of VEGFR1 (unknown origin)
Drug: regorafenib
Target: Vascular endothelial growth factor receptor 2 (Kinase)
Gene: KDR
UniProt: P35968 (VGFR2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.9
Action type: INHIBITOR
Drug: regorafenib
Target: Angiopoietin-1 receptor (Kinase)
Gene: TEK
UniProt: Q02763 (TIE2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8.82
Assay: Inhibition of GST-tagged TIE2 (unknown origin) using biotin-Ahx-EPKDDAYPLYSDFG peptide as substrate by HTRF method
Drug: regorafenib
Target: Fibroblast growth factor receptor 1 (Kinase)
Gene: FGFR1
UniProt: P11362 (FGFR1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8.82
Assay: Inhibition of FGFR1 (unknown origin)
Drug: regorafenib
Target: Bifunctional epoxide hydrolase 2 (Enzyme)
Gene: EPHX2
UniProt: P34913 (HYES_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 9.3
Action type: INHIBITOR
Assay: Inhibition of human recombinant soluble epoxide hydrolase assessed as cyano(6-methoxy-naphthalen-2-yl)methyl trans-[(3-phenyloxyran-2-yl)methyl] carbonate conversion to 6-methoxy-2-naphthaldehyde preincubated for 5 mins prior to substrate addition by fluorescence assay
Drug: regorafenib
Target: Vascular endothelial growth factor receptor 2 (Kinase)
Gene: Kdr
UniProt: P35918 (VGFR2_MOUSE)
Organism: Mus musculus
Activity: IC50 = 8.82
Assay: Inhibition of mouse VEGFR-2 (785 to 1376 residues)
Drug: regorafenib
Target: Vascular endothelial growth factor receptor 3 (Kinase)
Gene: Flt4
UniProt: P35917 (VGFR3_MOUSE)
Organism: Mus musculus
Activity: IC50 = 8.82
Assay: Inhibition of mouse VEGFR-3 (818 to 1363 residues)
Drug: tedisamil
Target: Potassium voltage-gated channel subfamily A member 7 (Ion channel)
Gene: Kcna7
UniProt: Q17ST2 (KCNA7_MOUSE)
Organism: Mus musculus
Activity: IC50 = 4.7
Action type: BLOCKER
Drug: metamizole
Target: Transient receptor potential cation channel subfamily A member 1 (Ion channel)
Gene: TRPA1
UniProt: O75762 (TRPA1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.041
Action type: BLOCKER
Assay: inhibition of calcium response evoked by the TRPA1 agonist AITC (10uM) in IMR90