AIM-Harvard/TrialPanorama-filtered huggingface dataset:
Drug: ivermectin
Target: Adenosine receptor A3 (GPCR)
Gene: ADORA3
UniProt: P0DMS8 (AA3R_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.539
Assay: DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA)
Drug: ivermectin
Target: Neuronal acetylcholine receptor subunit alpha-7 (Ion channel)
Gene: CHRNA7
UniProt: P36544 (ACHA7_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 5.1
Action type: ALLOSTERIC MODULATOR
Drug: ivermectin
Target: Bile acid receptor (Nuclear hormone receptor)
Gene: NR1H4
UniProt: Q96RI1 (NR1H4_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.59
Assay: Antagonist activity at human GTS-tagged FXR after 20 mins by TR-FRET assay
Drug: ivermectin
Target: Glycine Receptor (Ion channel)
Gene: GLRA1|GLRA2|GLRA3|GLRB
UniProt: P23415|P23416|O75311|P48167 (GLRA1_HUMAN|GLRA2_HUMAN|GLRA3_HUMAN|GLRB_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 6.4
Action type: AGONIST
Drug: ivermectin
Target: Glutamate-gated chloride channel (Ion channel)
UniProt: P91730 (GLUCB_HAECO)
Organism: Haemonchus contortus
Action type: MODULATOR
Assay: Mechanism of Action; CHEMBL2363050; SINGLE PROTEIN
Drug: ivermectin
Target: Glutamate-gated chloride channel (Ion channel)
Gene: GluClX
UniProt: Q25634 (Q25634_ONCVO)
Organism: Onchocerca volvulus
Action type: MODULATOR
Assay: Mechanism of Action; CHEMBL2363051; SINGLE PROTEIN
Drug: ivermectin
Target: Sarcoplasmic/endoplasmic reticulum calcium ATPase 2 (Enzyme)
Gene: Atp2a2
UniProt: P11507 (AT2A2_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 5.17
Drug: ivermectin
Target: Sodium/potassium-transporting ATPase subunit alpha-1 (Enzyme)
Gene: Atp1a1
UniProt: P06685 (AT1A1_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 5.08
Drug: ivermectin
Target: Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 (Enzyme)
Gene: Atp2a1
UniProt: Q64578 (AT2A1_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 4.77
Drug: ivermectin
Target: P2X purinoceptor 4 (Unclassified)
Gene: P2rx4
UniProt: P51577 (P2RX4_RAT)
Organism: Rattus norvegicus
Activity: EC50 ~ 6.6
Action type: ALLOSTERIC MODULATOR
Drug: kinetin
Target: Endochitinase (Enzyme)
Gene: CTS1
UniProt: P29029 (CHIT_YEAST)
Organism: Saccharomyces cerevisiae (strain ATCC 204508 / S288c)
Activity: Ki = 5.49
Assay: Inhibition of Saccharomyces cerevisiae CTS1
Drug: kojic acid
Target: Tyrosinase (Enzyme)
Gene: TYR
UniProt: P14679 (TYRO_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.13
Assay: Inhibition of Tyrosinase
Drug: kojic acid
Target: Polyphenol oxidase 2 (Enzyme)
Gene: PPO2
UniProt: O42713 (PPO2_AGABI)
Organism: Agaricus bisporus
Activity: Ki = 4.65
Assay: Inhibition of mashroom tyrosinase
Drug: kojic acid
Target: D-amino-acid oxidase (Enzyme)
Gene: DAO
UniProt: P14920 (OXDA_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.7
Assay: Inhibition of human recombinant DAAO expressed in HEK293 cell lysate assessed as D-Serine conversion to H2O2 after 20 mins by spectrophotometric analysis
Drug: kojic acid
Target: D-amino-acid oxidase (Unclassified)
Gene: DAO
UniProt: P00371 (OXDA_PIG)
Organism: Sus scrofa
Activity: Ki = 4.68
Assay: Competitive inhibition of pig kidney DAAO using D-Alanine as substrate by Michaelis-Menten plot analysis
Drug: kojic acid
Target: Tyrosinase (Enzyme)
Gene: Tyr
UniProt: P11344 (TYRO_MOUSE)
Organism: Mus musculus
Activity: IC50 = 4.21
Assay: Inhibition of catecholase activity of tyrosinase in mouse B16 cells assessed as dopachrome formation
Drug: kojic acid
Target: Polymerase acidic protein (Enzyme)
Gene: PA
UniProt: P03433 (PA_I34A1)
Organism: Influenza A virus (strain A/Puerto Rico/8/1934 H1N1)
Activity: IC50 = 4.91
Assay: Inhibition of 8-histidine tagged influenza virus H1N1 N-terminal PA endonuclease expressed in Escherichia coli BL21 cells using single-stranded 5'-FAM fluorophore/3'-TAMRA quencher)-labeled 17-mer ssDNA-oligomer substrate measured over 45 mins by FRET analysis
Drug: kojic acid
Target: Tyrosinase (Unclassified)
UniProt: B2ZB02 (B2ZB02_BACME)
Organism: Bacillus megaterium
Activity: IC50 = 4.28
Assay: Inhibition of Bacillus megaterium tyrosinase diphenolase activity using L-DOPA as substrate by spectrophotometric method
Drug: kojic acid
Target: Polymerase acidic protein (Unclassified)
Gene: PA
UniProt: P03433 (PA_I34A1)
Organism: Influenza A virus (strain A/Puerto Rico/8/1934 H1N1)
Activity: IC50 = 4.91
Assay: Inhibition of 8-histidine tagged influenza virus H1N1 N-terminal PA endonuclease expressed in Escherichia coli BL21 cells using single-stranded 5'-FAM fluorophore/3'-TAMRA quencher)-labeled 17-mer ssDNA-oligomer substrate measured over 45 mins by FRET analysis
Drug: kojic acid
Target: Polyphenol oxidase 1 (Enzyme)
Gene: PPO1
UniProt: Q00024 (PPO1_AGABI)
Organism: Agaricus bisporus
Activity: IC50 = 4.82
Assay: Inhibition Assay: Reader: Synergy HT program: tyrosinase 280-490 kinetics: kinetics over 45 minutes, reading at t=10 minutes, Tests in transparent 96-well plates, Phosphate buffer (pH 6.8), Enzyme: mushroom tyrosinase (T-3824, Sigma), Substrate: L-tyrosine (T-3754, Sigma), Positive control: Kojic acid (KA) (60890, Fluka) (reference inhibitor). Reference Molecules for the Test: Kojic acid: 9 μM<IC50<20 μM (PPO), 3 &muM<IC50<7 μM (MPMO); Vitamin C: 20 μM<IC50<40 μM (PPO); Reduced glutathione: 55% inhibition at 25 μM (PPO), IC50=1-2 μM (MPMO); Hydroquinone: IC50=3-4 μM (MPMO); Arbutin: 57% inhibition at 88 μM (MPMO).
Drug: meldonium
Target: Gamma-butyrobetaine dioxygenase (Enzyme)
Gene: BBOX1
UniProt: O75936 (BODG_HUMAN)
Organism: Homo sapiens
Activity: Ki = 4.8
Assay: Inhibition of BBOX (unknown origin)
Drug: octanoic acid
Target: G-protein coupled receptor 84 (GPCR)
Gene: GPR84
UniProt: Q9NQS5 (GPR84_HUMAN)
Organism: Homo sapiens
Activity: Ki = 4.71
Assay: Displacement of [3H]PSB-1584 from recombinant human GPR84 expressed in CHO cell membranes co-expressing beta-arrestin2 measured after 6 hrs by scintillation counting method
Drug: niperotidine
Target: Histamine H2 receptor (GPCR)
Gene: HRH2
UniProt: P25021 (HRH2_HUMAN)
Organism: Homo sapiens
Action type: ANTAGONIST
Assay: Mechanism of Action
Drug: mozavaptan
Target: Vasopressin V1a receptor (GPCR)
Gene: AVPR1A
UniProt: P37288 (V1AR_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.71
Assay: Binding affinity to vasopressin V1a receptor
Drug: mozavaptan
Target: Vasopressin V1b receptor (GPCR)
Gene: AVPR1B
UniProt: P47901 (V1BR_HUMAN)
Organism: Homo sapiens
Activity: Ki = 4.8
Action type: ANTAGONIST
Drug: mozavaptan
Target: Oxytocin receptor (GPCR)
Gene: OXTR
UniProt: P30559 (OXYR_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.18
Assay: Binding affinity to oxytocin receptor
Drug: mozavaptan
Target: Vasopressin V2 receptor (GPCR)
Gene: Avpr2
UniProt: Q00788 (V2R_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 7.92
Assay: Displacement of [3H]-AVP from its AVP-V2 receptor binding site in rat kidney
Drug: mozavaptan
Target: Vasopressin V1a receptor (GPCR)
Gene: Avpr1a
UniProt: P30560 (V1AR_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 5.85
Assay: Displacement of [3H]AVP from AVP-V1a receptor binding site in rat liver
Drug: mozavaptan
Target: Vasopressin V1 receptor (GPCR)
Gene: Avpr1a|Avpr1b
UniProt: P30560|P48974 (V1AR_RAT|V1BR_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 5.3
Assay: Inhibitory activity against arginine vasopressin V1 receptor using [3H]AVP as radioligand in rat liver
Drug: mozavaptan
Target: Vasopressin V2 receptor (GPCR)
Gene: AVPR2
UniProt: P30518 (V2R_HUMAN)
Organism: Homo sapiens
Activity: Ki = 8.03
Action type: ANTAGONIST
Assay: Concentration which inhibit [3H]AVP binding to human Vasopressin V2 receptor coded HeLa cells by 50%
Drug: oxitriptan
Target: 5-hydroxytryptamine receptor 1A (GPCR)
Gene: HTR1A
UniProt: P08908 (5HT1A_HUMAN)
Organism: Homo sapiens
Activity: Ki = 9.04
Drug: oxitriptan
Target: 5-hydroxytryptamine receptor 2A (GPCR)
Gene: HTR2A
UniProt: P28223 (5HT2A_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 6.89
Drug: oxitriptan
Target: 5-hydroxytryptamine receptor 2B (GPCR)
Gene: HTR2B
UniProt: P41595 (5HT2B_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 9
Assay: Agonist activity at recombinant human 5HT2B receptor expressed in Flp-In-293 cells assessed as calcium flux by FLIPR assay
Drug: oxitriptan
Target: 5-hydroxytryptamine receptor 2C (GPCR)
Gene: HTR2C
UniProt: P28335 (5HT2C_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 9.74
Assay: Agonist activity at recombinant human 5HT2C-INI receptor expressed in Flp-In-293 cells assessed as calcium flux by FLIPR assay
Drug: oxitriptan
Target: 5-hydroxytryptamine receptor 7 (GPCR)
Gene: HTR7
UniProt: P34969 (5HT7R_HUMAN)
Organism: Homo sapiens
Activity: Ki = 8.67
Drug: spaglumic acid
Target: Metabotropic glutamate receptor 3 (GPCR)
Gene: GRM3
UniProt: Q14832 (GRM3_HUMAN)
Organism: Homo sapiens
Activity: Ki = 4.7
Action type: AGONIST
Drug: baicalin
Target: Cyclin-dependent kinase 1 (Kinase)
Gene: CDK1
UniProt: P06493 (CDK1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.84
Assay: Inhibition of Cdk1/cyclin B
Drug: baicalin
Target: Prolyl endopeptidase (Enzyme)
Gene: PREP
UniProt: P48147 (PPCE_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.92
Assay: Inhibition of human brain prolyl oligopeptidase expressed in Escherichia coli
Drug: baicalin
Target: Lysine-specific histone demethylase 1A (Enzyme)
Gene: KDM1A
UniProt: O60341 (KDM1A_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.45
Assay: Inhibition of LSD1 (unknown origin)
Drug: baicalin
Target: GABA-A receptor; anion channel (Ion channel)
Gene: GABRP|GABRD|GABRA1|GABRB1|GABRG2|GABRB3|GABRA5|GABRA3|GABRA2|GABRB2|GABRA4|GABRE|GABRA6|GABRG1|GABRG3|GABRQ
UniProt: O00591|O14764|P14867|P18505|P18507|P28472|P31644|P34903|P47869|P47870|P48169|P78334|Q16445|Q8N1C3|Q99928|Q9UN88 (GBRP_HUMAN|GBRD_HUMAN|GBRA1_HUMAN|GBRB1_HUMAN|GBRG2_HUMAN|GBRB3_HUMAN|GBRA5_HUMAN|GBRA3_HUMAN|GBRA2_HUMAN|GBRB2_HUMAN|GBRA4_HUMAN|GBRE_HUMAN|GBRA6_HUMAN|GBRG1_HUMAN|GBRG3_HUMAN|GBRT_HUMAN)
Organism: Homo sapiens
Activity: Ki = 4.11
Assay: Binding affinity towards benzodiazepine site in GABAA receptor
Drug: timolol
Target: Beta-1 adrenergic receptor (GPCR)
Gene: ADRB1
UniProt: P08588 (ADRB1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 9
Action type: ANTAGONIST
Drug: timolol
Target: Beta-2 adrenergic receptor (GPCR)
Gene: ADRB2
UniProt: P07550 (ADRB2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 9.7
Action type: ANTAGONIST
Drug: timolol
Target: 5-hydroxytryptamine receptor 1A (GPCR)
Gene: HTR1A
UniProt: P08908 (5HT1A_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.81
Assay: DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1A radioligand binding (ligand: [3H] 8-OH-DPAT)
Drug: timolol
Target: Beta-3 adrenergic receptor (GPCR)
Gene: ADRB3
UniProt: P13945 (ADRB3_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.47
Assay: DRUGMATRIX: Adrenergic beta3 radioligand binding (ligand: [125I] Cyanopindolol)
Drug: timolol
Target: 5-hydroxytryptamine receptor 1A (GPCR)
Gene: Htr1a
UniProt: P19327 (5HT1A_RAT)
Organism: Rattus norvegicus
Activity: Ki = 6.21
Drug: timolol
Target: Beta-2 adrenergic receptor (GPCR)
Gene: Adrb2
UniProt: Q8K4Z4 (ADRB2_CAVPO)
Organism: Cavia porcellus
Activity: Kd = 9.78
Assay: In vitro inhibitory activity against beta-2 adrenoceptor was measured by the inhibition of isoproterenol-induced relaxation of PGF2-alpha contracted guinea pig trachea
Drug: timolol
Target: Beta-1 adrenergic receptor (GPCR)
Gene: ADRB1
UniProt: B0FL73 (B0FL73_CAVPO)
Organism: Cavia porcellus
Activity: Kd = 9.44
Assay: In vitro beta-1 adrenergic receptor activity was determined via inhibition of the positive chronotropic actions of isoproterenol in isolated guinea pig atrial preparations
Drug: tirilazad
Target: Beta-2 adrenergic receptor (GPCR)
Gene: ADRB2
UniProt: P07550 (ADRB2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 4.807
Assay: DRUGMATRIX: Adrenergic beta2 radioligand binding (ligand: [3H] CGP-12177)
Drug: tirilazad
Target: 5-hydroxytryptamine receptor 2A (GPCR)
Gene: HTR2A
UniProt: P28223 (5HT2A_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.243
Assay: DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin)
Drug: tirilazad
Target: 5-hydroxytryptamine receptor 2B (GPCR)
Gene: HTR2B
UniProt: P41595 (5HT2B_HUMAN)
Organism: Homo sapiens
Activity: Ki = 4.929
Assay: DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)
Drug: tirilazad
Target: 5-hydroxytryptamine receptor 2C (GPCR)
Gene: HTR2C
UniProt: P28335 (5HT2C_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.425
Assay: DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)
Drug: tirilazad
Target: Histamine H2 receptor (GPCR)
Gene: HRH2
UniProt: P25021 (HRH2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 4.857
Assay: DRUGMATRIX: Histamine H2 radioligand binding (ligand: [125I] Aminopotentidine)
Drug: tirilazad
Target: Alpha-2C adrenergic receptor (GPCR)
Gene: ADRA2C
UniProt: P18825 (ADA2C_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.94
Assay: DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912)
Drug: tirilazad
Target: Epidermal growth factor receptor (Kinase)
Gene: EGFR
UniProt: P00533 (EGFR_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.69
Assay: DRUGMATRIX: Protein Tyrosine Kinase, EGF Receptor enzyme inhibition (substrate: Poly(Glu:Tyr))
Drug: tirilazad
Target: Tyrosine-protein kinase Lck (Kinase)
Gene: LCK
UniProt: P06239 (LCK_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.802
Assay: DRUGMATRIX: Protein Tyrosine Kinase, LCK enzyme inhibition (substrate: Poly(Glu:Tyr))
Drug: tirilazad
Target: Tyrosine-protein kinase Fyn (Kinase)
Gene: FYN
UniProt: P06241 (FYN_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.952
Assay: DRUGMATRIX: Protein Tyrosine Kinase, Fyn enzyme inhibition (substrate: Poly(Glu:Tyr))
Drug: tirilazad
Target: Mitogen-activated protein kinase 3 (Kinase)
Gene: MAPK3
UniProt: P27361 (MK03_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.789
Assay: DRUGMATRIX: Protein Serine/Threonine Kinase, ERK1 enzyme inhibition (substrate: Myelin Basic Protein)
Drug: tirilazad
Target: Mitogen-activated protein kinase 14 (Kinase)
Gene: MAPK14
UniProt: Q16539 (MK14_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.13
Assay: DRUGMATRIX: Protein Serine/Threonine Kinase, p38alpha enzyme inhibition (substrate: Myelin Basic Protein)
Drug: ascorbic acid
Target: Tyrosinase (Enzyme)
Gene: TYR
UniProt: P14679 (TYRO_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.49
Drug: ascorbic acid
Target: Prolyl 4-hydroxylase subunit alpha-1 (Enzyme)
Gene: P4HA1
UniProt: P13674 (P4HA1_HUMAN)
Organism: Homo sapiens
Drug: ascorbic acid
Target: Procollagen-lysine,2-oxoglutarate 5-dioxygenase 1 (Enzyme)
Gene: PLOD1
UniProt: Q02809 (PLOD1_HUMAN)
Organism: Homo sapiens
Drug: ascorbic acid
Target: Solute carrier family 23 member 2 (Transporter)
Gene: SLC23A2
UniProt: Q9UGH3 (S23A2_HUMAN)
Organism: Homo sapiens
Drug: ascorbic acid
Target: Solute carrier family 23 member 1 (Transporter)
Gene: SLC23A1
UniProt: Q9UHI7 (S23A1_HUMAN)
Organism: Homo sapiens
Drug: ascorbic acid
Target: Pancreatic alpha-amylase (Enzyme)
Gene: Amy2
UniProt: P00689 (AMYP_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 4.58
Drug: minodronic acid
Target: Farnesyl pyrophosphate synthase (Enzyme)
Gene: FDPS
UniProt: P14324 (FPPS_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8.52
Assay: Inhibition of human FPPS after 10 mins using [14C]IPP as substrate by liquid scintillation counting
Drug: minodronic acid
Target: Geranylgeranyl pyrophosphate synthase (Enzyme)
Gene: GGPS1
UniProt: O95749 (GGPPS_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.74
Assay: Binding affinity to human GGPPS
Drug: minodronic acid
Target: Farnesyl diphosphate synthase (Enzyme)
Gene: ispA
UniProt: P22939 (ISPA_ECOLI)
Organism: Escherichia coli (strain K12)
Activity: IC50 = 5.96
Assay: Inhibition of Escherichia coli FPPS
Drug: minodronic acid
Target: Geranylgeranyl pyrophosphate synthase (Enzyme)
Gene: BTS1
UniProt: Q12051 (GGPPS_YEAST)
Organism: Saccharomyces cerevisiae (strain ATCC 204508 / S288c)
Activity: Ki = 6.89
Assay: Binding affinity to Saccharomyces cerevisiae GGPPS
Drug: levamlodipine
Target: Voltage-gated L-type calcium channel (Ion channel)
Gene: CACNA1D|CACNA1C
UniProt: Q01668|Q13936 (CAC1D_HUMAN|CAC1C_HUMAN)
Organism: Homo sapiens
Action type: BLOCKER
Assay: Mechanism of Action
Drug: sucralfate
Target: Pepsin A-5 (Enzyme)
Gene: PGA5
UniProt: P0DJD9 (PEPA5_HUMAN)
Organism: Homo sapiens
Action type: INHIBITOR
Assay: Mechanism of Action; CHEMBL3295; SINGLE PROTEIN
Drug: dronabinol
Target: Cannabinoid receptor 1 (GPCR)
Gene: CNR1
UniProt: P21554 (CNR1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 8.54
Action type: AGONIST
Assay: Displacement of [3H]CP-55940 from human CB1 receptor
Drug: dronabinol
Target: D(3) dopamine receptor (GPCR)
Gene: DRD3
UniProt: P35462 (DRD3_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 7.99
Assay: Agonist activity at recombinant human CB1 receptor expressed in CHO-K1 cells assessed as increase in cAMP accumulation after 20 mins by HTRF assay
Drug: dronabinol
Target: Glycine receptor subunit alpha-1 (Ion channel)
Gene: GLRA1
UniProt: P23415 (GLRA1_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 5.89
Drug: dronabinol
Target: Glycine receptor subunit alpha-2 (Ion channel)
Gene: GLRA2
UniProt: P23416 (GLRA2_HUMAN)
Organism: Homo sapiens
Activity: EC50 ~ 6
Action type: ALLOSTERIC MODULATOR
Drug: dronabinol
Target: Cannabinoid receptor 2 (GPCR)
Gene: CNR2
UniProt: P34972 (CNR2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 8.48
Assay: Binding affinity to human CB2 receptor
Drug: dronabinol
Target: Glycine receptor subunit alpha-3 (Ion channel)
Gene: GLRA3
UniProt: O75311 (GLRA3_HUMAN)
Organism: Homo sapiens
Activity: EC50 ~ 5.3
Action type: ALLOSTERIC MODULATOR
Drug: dronabinol
Target: N-arachidonyl glycine receptor (GPCR)
Gene: GPR18
UniProt: Q14330 (GPR18_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 6.02
Assay: Agonist activity at human GPR18 expressed in HEK203 cells by MAP kinase assay
Drug: dronabinol
Target: Transient receptor potential cation channel subfamily A member 1 (Ion channel)
Gene: TRPA1
UniProt: O75762 (TRPA1_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 4.9
Action type: ACTIVATOR
Drug: dronabinol
Target: Cannabinoid receptor 1 (GPCR)
Gene: Cnr1
UniProt: P20272 (CNR1_RAT)
Organism: Rattus norvegicus
Activity: Ki = 7.43
Assay: Binding affinity for cannabinoid receptor 1
Drug: dronabinol
Target: Cannabinoid receptor 2 (GPCR)
Gene: Cnr2
UniProt: P47936 (CNR2_MOUSE)
Organism: Mus musculus
Activity: Ki = 8.04
Assay: Binding affinity to mouse CB2 receptor
Drug: dronabinol
Target: Cannabinoid receptor 1 (GPCR)
Gene: Cnr1
UniProt: P47746 (CNR1_MOUSE)
Organism: Mus musculus
Activity: Ki = 7.4
Assay: Binding affinity to mouse CB1 receptor
Drug: dronabinol
Target: G-protein coupled receptor 55 (GPCR)
Gene: GPR55
UniProt: Q9Y2T6 (GPR55_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.85
Assay: Antagonist activity at human GPR55 transfected in CHO cells assessed as inhibition of LPI-induced beta-arrestin recruitment incubated 60 mins prior to LPI addition by beta-arrestin translocation assay
Drug: dronabinol
Target: Cannabinoid receptor (GPCR)
Gene: CNR1|CNR2
UniProt: P21554|P34972 (CNR1_HUMAN|CNR2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.39
Assay: Binding affinity was determined in vitro against cannabinoid receptor by ability to displace [3H]CP-55940
Drug: dronabinol
Target: Cannabinoid receptor (GPCR)
Gene: Cnr1|Cnr2
UniProt: P20272|Q9QZN9 (CNR1_RAT|CNR2_RAT)
Organism: Rattus norvegicus
Activity: Ki = 7.34
Assay: Compound was evaluated for the competitive inhibition of [3H]3-(1,1-Dimethyl-heptyl)-9-hydroxymethyl-6,6-dimethyl-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-1-ol to cannabinoid receptor from synaptosomal membranes of rat whole brain
Drug: dronabinol
Target: Transient receptor potential cation channel subfamily V member 2 (Ion channel)
Gene: Trpv2
UniProt: Q9WUD2 (TRPV2_RAT)
Organism: Rattus norvegicus
Activity: EC50 = 4.85
Action type: ACTIVATOR
Drug: tolvaptan
Target: Vasopressin V1a receptor (GPCR)
Gene: AVPR1A
UniProt: P37288 (V1AR_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.9
Action type: ANTAGONIST
Drug: tolvaptan
Target: Vasopressin V2 receptor (GPCR)
Gene: Avpr2
UniProt: Q00788 (V2R_RAT)
Organism: Rattus norvegicus
Activity: Ki = 8.9
Action type: ANTAGONIST
Drug: tolvaptan
Target: Vasopressin V1a receptor (GPCR)
Gene: Avpr1a
UniProt: P30560 (V1AR_RAT)
Organism: Rattus norvegicus
Activity: Ki = 6.5
Action type: ANTAGONIST
Drug: tolvaptan
Target: Vasopressin V2 receptor (GPCR)
Gene: AVPR2
UniProt: P30518 (V2R_HUMAN)
Organism: Homo sapiens
Activity: Ki = 9
Action type: ANTAGONIST
Drug: besifloxacin
Target: Topoisomerase IV (Enzyme)
Gene: parC|parE
UniProt: P0AFI2|P20083 (PARC_ECOLI|PARE_ECOLI)
Organism: Escherichia coli (strain K12)
Action type: INHIBITOR
Assay: Mechanism of Action; CHEMBL2363076; PROTEIN COMPLEX
Drug: besifloxacin
Target: DNA gyrase (Enzyme)
Gene: gyrA|gyrB
UniProt: P0AES4|P0AES6 (GYRA_ECOLI|GYRB_ECOLI)
Organism: Escherichia coli (strain K12)
Action type: INHIBITOR
Assay: Mechanism of Action; CHEMBL2311224; PROTEIN COMPLEX
Drug: dronedarone
Target: Thyroid hormone receptor alpha (Nuclear hormone receptor)
Gene: THRA
UniProt: P10827 (THA_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.229
Drug: dronedarone
Target: Potassium voltage-gated channel subfamily H member 2 (Ion channel)
Gene: KCNH2
UniProt: Q12809 (KCNH2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.5
Assay: Inhibition of human ERG
Drug: dronedarone
Target: Voltage-dependent calcium channel gamma-1 subunit (Ion channel)
Gene: CACNG1
UniProt: Q06432 (CCG1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.699
Drug: dronedarone
Target: Potassium voltage-gated channel subfamily KQT member 2 (Ion channel)
Gene: KCNQ2
UniProt: O43526 (KCNQ2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8
Action type: BLOCKER
Drug: dronedarone
Target: Potassium voltage-gated channel subfamily A member 5 (Ion channel)
Gene: KCNA5
UniProt: P22460 (KCNA5_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.63
Assay: Inhibition of human Kv1.5 channel expressed in HEK293 cells by whole cell patch clamp assay
Drug: dronedarone
Target: THAP domain-containing protein 1 (Unclassified)
Gene: THAP1
UniProt: Q9NVV9 (THAP1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.229
Drug: dronedarone
Target: Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 1 (Ion channel)
Gene: HCN1
UniProt: O60741 (HCN1_HUMAN)
Organism: Homo sapiens
Action type: BLOCKER
Assay: Mechanism of Action
Drug: dronedarone
Target: Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 2 (Ion channel)
Gene: HCN2
UniProt: Q9UL51 (HCN2_HUMAN)
Organism: Homo sapiens
Action type: BLOCKER
Assay: Mechanism of Action
Drug: dronedarone
Target: Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 3 (Ion channel)
Gene: HCN3
UniProt: Q9P1Z3 (HCN3_HUMAN)
Organism: Homo sapiens
Action type: BLOCKER
Assay: Mechanism of Action
Drug: dronedarone
Target: Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4 (Ion channel)
Gene: HCN4
UniProt: Q9Y3Q4 (HCN4_HUMAN)
Organism: Homo sapiens
Action type: BLOCKER
Assay: Mechanism of Action
Drug: prasugrel
Target: P2Y purinoceptor 12 (GPCR)
Gene: P2RY12
UniProt: Q9H244 (P2Y12_HUMAN)
Organism: Homo sapiens
Action type: ANTAGONIST
Drug: saxagliptin
Target: Cytochrome P450 3A4 (Enzyme)
Gene: CYP3A4
UniProt: P08684 (CP3A4_HUMAN)
Organism: Homo sapiens
Drug: saxagliptin
Target: Multidrug resistance protein 1 (Transporter)
Gene: ABCB1
UniProt: P08183 (MDR1_HUMAN)
Organism: Homo sapiens
Drug: saxagliptin
Target: Dipeptidyl peptidase 4 (Enzyme)
Gene: DPP4
UniProt: P27487 (DPP4_HUMAN)
Organism: Homo sapiens
Activity: Ki = 9.22
Action type: INHIBITOR
Assay: Inhibition of human DPP4 expressed in Caco-2 cells
Drug: saxagliptin
Target: Dipeptidyl peptidase 8 (Enzyme)
Gene: DPP8
UniProt: Q6V1X1 (DPP8_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.89
Assay: Inhibition of DPP8
Drug: saxagliptin
Target: Dipeptidyl peptidase 9 (Enzyme)
Gene: DPP9
UniProt: Q86TI2 (DPP9_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.15
Assay: Inhibition of DPP9
Drug: asenapine
Target: Beta-1 adrenergic receptor (GPCR)
Gene: ADRB1
UniProt: P08588 (ADRB1_HUMAN)
Organism: Homo sapiens
Activity: Ki  5.301
Drug: asenapine
Target: Beta-2 adrenergic receptor (GPCR)
Gene: ADRB2
UniProt: P07550 (ADRB2_HUMAN)
Organism: Homo sapiens
Activity: Ki  5.301