AIM-Harvard/TrialPanorama-filtered huggingface dataset:
Drug: propylthiouracil
Target: Taste receptor type 2 member 38 (GPCR)
Gene: TAS2R38
UniProt: P59533 (T2R38_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 5.7
Assay: Activity at human TAS2R38 expressed in HEK-293T-Galpha16-gustducin44 cells assessed as effect on calcium response by FLIPR assay
Drug: propyphenazone
Target: Transient receptor potential cation channel subfamily A member 1 (Ion channel)
Gene: TRPA1
UniProt: O75762 (TRPA1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.481
Action type: BLOCKER
Assay: inhibition of calcium response evoked by the TRPA1 agonist AITC (10uM) in IMR90
Drug: proquazone
Target: Prostaglandin G/H synthase 2 (Enzyme)
Gene: PTGS2
UniProt: P35354 (PGH2_HUMAN)
Organism: Homo sapiens
Drug: proquazone
Target: Prostaglandin G/H synthase 1 (Enzyme)
Gene: PTGS1
UniProt: P23219 (PGH1_HUMAN)
Organism: Homo sapiens
Drug: proquazone
Target: Cyclooxygenase (Enzyme)
Gene: PTGS1|PTGS2
UniProt: O62664|O62698 (PGH1_BOVIN|PGH2_BOVIN)
Organism: Bos taurus
Activity: IC50 = 7.15
Assay: Inhibition of PG synthetase activity obtained from bovine seminal vesicles
Drug: proscillaridin
Target: Sodium/potassium-transporting ATPase subunit alpha-2 (Ion channel)
Gene: ATP1A2
UniProt: D2WKD8 (AT1A2_PIG)
Organism: Sus scrofa
Activity: IC50 = 7.056
Assay: DRUGMATRIX: ATPase, Na+/K+ enzyme inhibition (substrate: ATP)
Drug: proscillaridin
Target: Sodium/potassium-transporting ATPase subunit alpha-1 (Transporter)
Gene: ATP1A1
UniProt: P05023 (AT1A1_HUMAN)
Organism: Homo sapiens
Drug: protionamide
Target: Polyphenol oxidase 2 (Enzyme)
Gene: PPO2
UniProt: O42713 (PPO2_AGABI)
Organism: Agaricus bisporus
Activity: IC50 = 5.35
Assay: Inhibition of mushroom tyrosinase using L-tyrosine as substrate
Drug: protirelin
Target: Thyrotropin-releasing hormone receptor (GPCR)
Gene: TRHR
UniProt: P34981 (TRFR_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.7
Action type: AGONIST
Assay: Displacement of [3H]N(1)-Me-His-TRH from TRHR1
Drug: protirelin
Target: Thyrotropin-releasing hormone receptor (GPCR)
Gene: Trhr
UniProt: Q01717 (TRFR_RAT)
Organism: Rattus norvegicus
Activity: Ki = 7.7
Assay: Inhibitory constant against thyrotropin releasing hormone receptor 1 expressed in HEK 293EM cells upon incubation at 37 degree C for 1 hr at pH 7.4 using [3H]Ntau(1)-Me-His-TRH; Range = 0.001-0.003 uM
Drug: protirelin
Target: Protein Trhr2; Thyrotropin releasing hormone receptor 2; Thyrotropin-releasing hormone receptor 2 (GPCR)
Gene: Trhr2
UniProt: Q9R297 (Q9R297_RAT)
Organism: Rattus norvegicus
Activity: Ki = 8
Assay: Inhibitory constant against thyrotropin releasing hormone receptor 2 expressed in HEK 293EM cells upon incubation at 37 degree C for 1 hr at pH 7.4 using [3H]Ntau(1)-Me-His-TRH
Drug: protirelin
Target: Thyrotropin-releasing hormone receptor (GPCR)
Gene: Trhr
UniProt: P21761 (TRFR_MOUSE)
Organism: Mus musculus
Activity: Ki = 8
Assay: Binding affinity against TRH-R receptor in AtT-20 mouse pituitary tumor cells
Drug: protirelin
Target: Thyrotropin-releasing hormone receptor 2 (GPCR)
Gene: TRH-R2
UniProt: Q9ERT1 (Q9ERT1_MOUSE)
Organism: Mus musculus
Activity: IC50 = 8.15
Drug: protokylol
Target: Beta-2 adrenergic receptor (GPCR)
Gene: ADRB2
UniProt: P07550 (ADRB2_HUMAN)
Organism: Homo sapiens
Action type: AGONIST
Assay: Mechanism of Action; CHEMBL210; SINGLE PROTEIN
Drug: protriptyline
Target: Potassium voltage-gated channel subfamily H member 2 (Ion channel)
Gene: KCNH2
UniProt: Q12809 (KCNH2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.928
Drug: protriptyline
Target: Sodium-dependent serotonin transporter (Transporter)
Gene: SLC6A4
UniProt: P31645 (SC6A4_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.34
Action type: INHIBITOR
Drug: protriptyline
Target: Sodium-dependent noradrenaline transporter (Transporter)
Gene: SLC6A2
UniProt: P23975 (SC6A2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 8.39
Action type: INHIBITOR
Drug: protriptyline
Target: 5-hydroxytryptamine receptor 2A (GPCR)
Gene: HTR2A
UniProt: P28223 (5HT2A_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.2
Drug: protriptyline
Target: 5-hydroxytryptamine receptor 2B (GPCR)
Gene: HTR2B
UniProt: P41595 (5HT2B_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7
Drug: protriptyline
Target: 5-hydroxytryptamine receptor 2C (GPCR)
Gene: HTR2C
UniProt: P28335 (5HT2C_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.5
Drug: protriptyline
Target: Histamine H1 receptor (GPCR)
Gene: HRH1
UniProt: P35367 (HRH1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.22
Drug: protriptyline
Target: Muscarinic acetylcholine receptor M1 (GPCR)
Gene: CHRM1
UniProt: P11229 (ACM1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.7
Drug: protriptyline
Target: Muscarinic acetylcholine receptor M2 (GPCR)
Gene: CHRM2
UniProt: P08172 (ACM2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.9
Drug: protriptyline
Target: Muscarinic acetylcholine receptor M3 (GPCR)
Gene: CHRM3
UniProt: P20309 (ACM3_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7
Drug: protriptyline
Target: Muscarinic acetylcholine receptor M4 (GPCR)
Gene: CHRM4
UniProt: P08173 (ACM4_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.94
Drug: protriptyline
Target: Muscarinic acetylcholine receptor M5 (GPCR)
Gene: CHRM5
UniProt: P08912 (ACM5_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.86
Drug: protriptyline
Target: Sodium-dependent dopamine transporter (Transporter)
Gene: SLC6A3
UniProt: Q01959 (SC6A3_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.678
Drug: protriptyline
Target: Adenosine receptor A3 (GPCR)
Gene: ADORA3
UniProt: P0DMS8 (AA3R_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8.96
Assay: Inhibitory concentration against human Adenosine A3 receptor expressed in HEK293 cells using 0.1 nM [3H]AB-MECA
Drug: pseudoephedrine
Target: Beta-2 adrenergic receptor (GPCR)
Gene: ADRB2
UniProt: P07550 (ADRB2_HUMAN)
Organism: Homo sapiens
Drug: pseudoephedrine
Target: Alpha-2A adrenergic receptor (GPCR)
Gene: ADRA2A
UniProt: P08913 (ADA2A_HUMAN)
Organism: Homo sapiens
Drug: pseudoephedrine
Target: Sodium-dependent noradrenaline transporter (Transporter)
Gene: SLC6A2
UniProt: P23975 (SC6A2_HUMAN)
Organism: Homo sapiens
Action type: RELEASING AGENT
Assay: Mechanism of Action; CHEMBL222; SINGLE PROTEIN
Drug: pseudoephedrine
Target: Alpha-1A adrenergic receptor (GPCR)
Gene: ADRA1A
UniProt: P35348 (ADA1A_HUMAN)
Organism: Homo sapiens
Drug: pyrazinamide
Target: Cytochrome P450 3A4 (Enzyme)
Gene: CYP3A4
UniProt: P08684 (CP3A4_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.89
Drug: pyrazinamide
Target: Carbonic anhydrase 2 (Enzyme)
Gene: CA2
UniProt: P00918 (CAH2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.77
Drug: pyrazinamide
Target: Cyclopropane mycolic acid synthase 1 (Enzyme)
Gene: cmaA1
UniProt: P9WPB6 (CMAS1_MYCTO)
Organism: Mycobacterium tuberculosis (strain CDC 1551 / Oshkosh)
Drug: pyrazinamide
Target: Amidase; Nicotinamidase; Nicotinamidase/pyrazinamidase; Pyrazinamidase; Pyrazinamidase/nicotinamidase; Pyrazinamidase/nicotinamidase PncA (Enzyme)
Gene: pncA
UniProt: Q50575 (Q50575_MYCTX)
Organism: Mycobacterium tuberculosis
Drug: pyrazinamide
Target: Cytochrome P450 3A5 (Enzyme)
Gene: CYP3A5
UniProt: P20815 (CP3A5_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.89
Drug: pyrazinamide
Target: 3-oxoacyl-ACP synthase; Fatty acid synthase Fas; Probable fatty acid synthase Fas (Fatty acid synthetase) (Enzyme)
Gene: fas
UniProt: P95029 (P95029_MYCTU)
Organism: Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Action type: INHIBITOR
Assay: Mechanism of Action; CHEMBL2011; SINGLE PROTEIN
Drug: pyridostigmine
Target: Acetylcholinesterase (Enzyme)
Gene: ACHE
UniProt: P22303 (ACES_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.44
Action type: INHIBITOR
Assay: Inhibition of human whole RBC AChE pretreated for 30 mins by Ellman technique
Drug: pyridostigmine
Target: Cholinesterase (Enzyme)
Gene: BCHE
UniProt: P06276 (CHLE_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.46
Assay: Inhibition of anticholinesterase activity by their ability to inactivate human serum butyrylcholinesterase
Drug: pyridostigmine
Target: Acetylcholinesterase (Enzyme)
Gene: ache
UniProt: P04058 (ACES_TORCA)
Organism: Torpedo californica
Activity: IC50 = 7.09
Assay: Inhibition of Torpedo californica eel AChE using acetylthiocholine/DTNB as substrate preincubated for 10 mins followed by substrate addition measured every 30 secs for 30 mins by Ellmans method
Drug: pyridostigmine
Target: Acetylcholinesterase (Enzyme)
Gene: ACHE
UniProt: P23795 (ACES_BOVIN)
Organism: Bos taurus
Activity: Ki = 4.71
Assay: Inhibitory activity against Acetylcholinesterase (AChE)
Drug: mepyramine
Target: Alpha-2A adrenergic receptor (GPCR)
Gene: ADRA2A
UniProt: P08913 (ADA2A_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.952
Assay: DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)
Drug: mepyramine
Target: Sigma non-opioid intracellular receptor 1 (Membrane receptor)
Gene: SIGMAR1
UniProt: Q99720 (SGMR1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.184
Assay: DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol)
Drug: mepyramine
Target: Potassium voltage-gated channel subfamily H member 2 (Ion channel)
Gene: KCNH2
UniProt: Q12809 (KCNH2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.96
Assay: Inhibitory concentration against IKr potassium channel
Drug: mepyramine
Target: Sodium-dependent serotonin transporter (Transporter)
Gene: SLC6A4
UniProt: P31645 (SC6A4_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.602
Assay: DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)
Drug: mepyramine
Target: 5-hydroxytryptamine receptor 2A (GPCR)
Gene: HTR2A
UniProt: P28223 (5HT2A_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.7
Drug: mepyramine
Target: 5-hydroxytryptamine receptor 2B (GPCR)
Gene: HTR2B
UniProt: P41595 (5HT2B_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.751
Assay: DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)
Drug: mepyramine
Target: 5-hydroxytryptamine receptor 2C (GPCR)
Gene: HTR2C
UniProt: P28335 (5HT2C_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.228
Assay: DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)
Drug: mepyramine
Target: Histamine H1 receptor (GPCR)
Gene: HRH1
UniProt: P35367 (HRH1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 9.1
Action type: ANTAGONIST
Assay: GRAC: human H1 selective antagonist
Drug: mepyramine
Target: Sodium-dependent dopamine transporter (Transporter)
Gene: SLC6A3
UniProt: Q01959 (SC6A3_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.156
Assay: DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)
Drug: mepyramine
Target: Cytochrome P450 2D6 (Enzyme)
Gene: CYP2D6
UniProt: P10635 (CP2D6_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.523
Assay: DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)
Drug: mepyramine
Target: Adenosine receptor A3 (GPCR)
Gene: ADORA3
UniProt: P0DMS8 (AA3R_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8.89
Assay: Inhibitory concentration against human Adenosine A3 receptor expressed in HEK293 cells using 0.1 nM [3H]AB-MECA
Drug: mepyramine
Target: Histamine H1 receptor (GPCR)
Gene: HRH1
UniProt: P31389 (HRH1_CAVPO)
Organism: Cavia porcellus
Activity: Kd = 9.5
Assay: Antagonist activity at histamine H1 receptor in Cavia porcellus (guinea pig) ileum assessed as inhibition of electrically-induced contraction
Drug: mepyramine
Target: Histamine H1 receptor (GPCR)
Gene: Hrh1
UniProt: P31390 (HRH1_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 8.24
Assay: Displacement of [3H]mepyramine from histamine H1 receptor in Sprague-Dawley rat brain membrane after 2 hr by scintillation counting
Drug: pyrimethamine
Target: Muscarinic acetylcholine receptor M1 (GPCR)
Gene: CHRM1
UniProt: P11229 (ACM1_HUMAN)
Organism: Homo sapiens
Activity: Ki  8.721
Drug: pyrimethamine
Target: Dihydrofolate reductase (Enzyme)
Gene: DHFR
UniProt: P00374 (DYR_HUMAN)
Organism: Homo sapiens
Activity: Ki = 8.1
Assay: Cytotoxicity by selective inhibition against human dihydrofolate reductase (DHFR).
Drug: pyrimethamine
Target: Cytochrome P450 2C9 (Enzyme)
Gene: CYP2C9
UniProt: P11712 (CP2C9_HUMAN)
Organism: Homo sapiens
Activity: Ki = 4.288
Drug: pyrimethamine
Target: Bifunctional dihydrofolate reductase-thymidylate synthase (Enzyme)
UniProt: Q07422 (DRTS_TOXGO)
Organism: Toxoplasma gondii
Activity: IC50 = 6.409
Drug: pyrimethamine
Target: Dihydrofolate reductase (Enzyme)
UniProt: P16184 (DYR_PNECA)
Organism: Pneumocystis carinii
Activity: Ki = 8.01
Assay: Binding affinity was reported with purified recombinant Pneumocystis carinii Dihydrofolate reductase
Drug: pyrimethamine
Target: Solute carrier family 22 member 1 (Transporter)
Gene: SLC22A1
UniProt: O15245 (S22A1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.87
Assay: Inhibition of human OCT1 expressed in HEK293 cells assessed as decrease in uptake of ASP+ after 2 mins by fluorescence assay
Drug: pyrimethamine
Target: Bifunctional dihydrofolate reductase-thymidylate synthase (Enzyme)
UniProt: P13922 (DRTS_PLAFK)
Organism: Plasmodium falciparum
Activity: Ki = 9.72
Action type: INHIBITOR
Assay: Inhibitor constant of compound for Plasmodium falciparum dihydrofolate reductase
Drug: pyrimethamine
Target: Dihydrofolate reductase (Enzyme)
Gene: Dhfr
UniProt: Q920D2 (DYR_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 5.85
Assay: In vitro inhibitory concentration against rat liver dihydrofolate reductase
Drug: pyrimethamine
Target: Bifunctional dihydrofolate reductase-thymidylate synthase (Enzyme)
UniProt: P07382 (DRTS_LEIMA)
Organism: Leishmania major
Activity: Ki = 6.602
Drug: pyrimethamine
Target: Dihydrofolate reductase (Enzyme)
Gene: DFR1
UniProt: P22906 (DYR_CANAX)
Organism: Candida albicans
Activity: IC50 = 5.3
Assay: Inhibition of dihydrofolate reductase in Candida albicans (in vitro).
Drug: pyrimethamine
Target: Dihydrofolate reductase (Enzyme)
Gene: dfrA17
UniProt: B0BL08 (B0BL08_ECOLX)
Organism: Escherichia coli
Activity: Ki = 8.92
Assay: Inhibitor constant of compound for mutant T46A Escherichia coli dihydrofolate reductase
Drug: pyrimethamine
Target: Pteridine reductase 1 (Enzyme)
Gene: PTR1
UniProt: Q01782 (PTR1_LEIMA)
Organism: Leishmania major
Activity: IC50 = 4.87
Assay: Inhibition of Leishmania major pteridine reductase 1 using di-hydrobiopterine as substrate in presence of NADPH
Drug: pyrimethamine
Target: Bifunctional dihydrofolate reductase-thymidylate synthase (Enzyme)
UniProt: Q27793 (DRTS_TRYCR)
Organism: Trypanosoma cruzi
Activity: Ki = 7.009
Drug: pyrimethamine
Target: Multidrug and toxin extrusion protein 1 (Transporter)
Gene: SLC47A1
UniProt: Q96FL8 (S47A1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.1
Action type: INHIBITOR
Drug: pyrimethamine
Target: Bifunctional dihydrofolate reductase-thymidylate synthase (Enzyme)
UniProt: Q27783 (DRTS_TRYBB)
Organism: Trypanosoma brucei brucei
Activity: Ki = 7.959
Drug: pyrimethamine
Target: Solute carrier family 22 member 1 (Transporter)
Gene: Slc22a1
UniProt: O08966 (S22A1_MOUSE)
Organism: Mus musculus
Activity: Ki = 5.44
Assay: Inhibition of mouse Oct1 transfected in HEK293 cells assessed as uptake of [14C]-TEA preincubated for 15 mins by liquid scintillation counting analysis
Drug: pyrimethamine
Target: Multidrug and toxin extrusion protein 1 (Unclassified)
Gene: Slc47a1
UniProt: Q8K0H1 (S47A1_MOUSE)
Organism: Mus musculus
Activity: Ki = 6.84
Assay: Inhibition of mouse Mate1 transfected in HEK293 cells assessed as uptake of [14C]-TEA preincubated for 15 mins by liquid scintillation counting analysis
Drug: pyrimethamine
Target: Dihydrofolate reductase (Enzyme)
Gene: DHFR
UniProt: P00376 (DYR_BOVIN)
Organism: Bos taurus
Activity: IC50 = 7
Assay: Inhibition of bovine liver DHFR
Drug: pyrimethamine
Target: Beta-hexosaminidase subunit alpha (Enzyme)
Gene: HEXA
UniProt: P06865 (HEXA_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.51
Drug: pyrimethamine
Target: Beta-hexosaminidase subunit beta (Enzyme)
Gene: HEXB
UniProt: P07686 (HEXB_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.35
Drug: pyrimethamine
Target: Multidrug and toxin extrusion protein 2 (Unclassified)
Gene: Slc47a2
UniProt: Q3V050 (S47A2_MOUSE)
Organism: Mus musculus
Activity: Ki = 6.3
Action type: INHIBITOR
Drug: pyrimethamine
Target: Bifunctional dihydrofolate reductase-thymidylate synthase (Enzyme)
UniProt: Q8I1R6 (Q8I1R6_PLAF7)
Organism: Plasmodium falciparum
Activity: Ki = 9.07
Assay: Inhibition of pyrimethamine-resistant form-2 Plasmodium falciparum N51I, C59R, S108N, I164L, K96N mutant expressed in Escherichia coli BL21(DE3) by Michaelis-Menten based competitive inhibition assay
Drug: pyrvinium
Target: Fumarate reductase (Unclassified)
UniProt: F1KRD8 (F1KRD8_ASCSU)
Organism: Ascaris suum
Activity: IC50 = 6.3
Assay: Inhibition of NADH-Fumarate reductase in Ascaris suum muscle sub-mitochondrial particles using disodium fumarate as substrate in presence of NADH after 3 mins measured every 15 sec for 10 mins under anaerobic condition
Drug: pyrvinium
Target: Synaptojanin-2 (Enzyme)
Gene: SYNJ2
UniProt: O15056 (SYNJ2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.9
Assay: Inhibition of C-Myc/DDK-tagged human recombinant SYNJ2 expressed in HEK293T cells assessed as reduction in 5'-phosphatase activity incubated for 8 mins using fluorescently-labeled PI(3,4)P2 probe and Tapp1 PH-domain as detector protein by fluorescence polarization competitive assay
Drug: pyrvinium
Target: Synaptojanin-1 (Enzyme)
Gene: SYNJ1
UniProt: O43426 (SYNJ1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6
Assay: Inhibition of C-Myc/DDK-tagged human recombinant SYNJ1 expressed in HEK293T cells assessed as reduction in 5'-phosphatase activity incubated for 8 mins using fluorescently-labeled PI(3,4)P2 probe and Tapp1 PH-domain as detector protein by fluorescence polarization competitive assay
Drug: pyrvinium
Target: Serine hydroxymethyltransferase, mitochondrial (Enzyme)
Gene: SHMT2
UniProt: P34897 (GLYM_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.59
Assay: Inhibition of His-tagged human recombinant SHMT2 expressed in Escherichia coli BLR(DE3) assessed as reduction in NADPH level using L-serine, THF and NADP+ incubated for 5 mins by SHMT2-MTHFD coupled reaction based fluorescence assay
Drug: quazepam
Target: GABA A receptor alpha-1/beta-1/gamma-2 (Ion channel)
Gene: GABRA1|GABRB1|GABRG2
UniProt: P14867|P18505|P18507 (GBRA1_HUMAN|GBRB1_HUMAN|GBRG2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.708
Action type: POSITIVE ALLOSTERIC MODULATOR
Drug: quazepam
Target: GABA A receptor alpha-3/beta-1/gamma-2 (Ion channel)
Gene: GABRB1|GABRG2|GABRA3
UniProt: P18505|P18507|P34903 (GBRB1_HUMAN|GBRG2_HUMAN|GBRA3_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.627
Action type: POSITIVE ALLOSTERIC MODULATOR
Drug: quazepam
Target: GABA A receptor alpha-2/beta-1/gamma-2 (Ion channel)
Gene: GABRB1|GABRG2|GABRA2
UniProt: P18505|P18507|P47869 (GBRB1_HUMAN|GBRG2_HUMAN|GBRA2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.688
Action type: POSITIVE ALLOSTERIC MODULATOR
Drug: quetiapine
Target: Beta-1 adrenergic receptor (GPCR)
Gene: ADRB1
UniProt: P08588 (ADRB1_HUMAN)
Organism: Homo sapiens
Activity: Ki  5.301
Drug: quetiapine
Target: Beta-2 adrenergic receptor (GPCR)
Gene: ADRB2
UniProt: P07550 (ADRB2_HUMAN)
Organism: Homo sapiens
Activity: Ki  5.301
Drug: quetiapine
Target: D(1A) dopamine receptor (GPCR)
Gene: DRD1
UniProt: P21728 (DRD1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.41
Assay: Binding affinity against dopamine receptor D1
Drug: quetiapine
Target: D(2) dopamine receptor (GPCR)
Gene: DRD2
UniProt: P14416 (DRD2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.483
Action type: ANTAGONIST
Drug: quetiapine
Target: Alpha-2A adrenergic receptor (GPCR)
Gene: ADRA2A
UniProt: P08913 (ADA2A_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.44
Drug: quetiapine
Target: Sigma non-opioid intracellular receptor 1 (Membrane receptor)
Gene: SIGMAR1
UniProt: Q99720 (SGMR1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.016
Assay: DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol)
Drug: quetiapine
Target: Potassium voltage-gated channel subfamily H member 2 (Ion channel)
Gene: KCNH2
UniProt: Q12809 (KCNH2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.24
Assay: Inhibition of human ERG
Drug: quetiapine
Target: Sodium-dependent noradrenaline transporter (Transporter)
Gene: SLC6A2
UniProt: P23975 (SC6A2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.03
Action type: INHIBITOR
Drug: quetiapine
Target: 5-hydroxytryptamine receptor 1A (GPCR)
Gene: HTR1A
UniProt: P08908 (5HT1A_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.83
Drug: quetiapine
Target: 5-hydroxytryptamine receptor 2A (GPCR)
Gene: HTR2A
UniProt: P28223 (5HT2A_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.131
Action type: ANTAGONIST
Drug: quetiapine
Target: 5-hydroxytryptamine receptor 2B (GPCR)
Gene: HTR2B
UniProt: P41595 (5HT2B_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.523
Drug: quetiapine
Target: 5-hydroxytryptamine receptor 2C (GPCR)
Gene: HTR2C
UniProt: P28335 (5HT2C_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7
Action type: ANTAGONIST
Drug: quetiapine
Target: 5-hydroxytryptamine receptor 6 (GPCR)
Gene: HTR6
UniProt: P50406 (5HT6R_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.85
Assay: Binding affinity to human cloned 5HT6 receptor
Drug: quetiapine
Target: 5-hydroxytryptamine receptor 7 (GPCR)
Gene: HTR7
UniProt: P34969 (5HT7R_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.512
Drug: quetiapine
Target: Alpha-1A adrenergic receptor (GPCR)
Gene: ADRA1A
UniProt: P35348 (ADA1A_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.027
Drug: quetiapine
Target: Alpha-2B adrenergic receptor (GPCR)
Gene: ADRA2B
UniProt: P18089 (ADA2B_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.127
Drug: quetiapine
Target: D(3) dopamine receptor (GPCR)
Gene: DRD3
UniProt: P35462 (DRD3_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.49
Action type: ANTAGONIST
Assay: Binding affinity to human cloned dopamine D3 receptor
Drug: quetiapine
Target: D(1B) dopamine receptor (GPCR)
Gene: DRD5
UniProt: P21918 (DRD5_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.79
Drug: quetiapine
Target: Histamine H1 receptor (GPCR)
Gene: HRH1
UniProt: P35367 (HRH1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8.35
Drug: quetiapine
Target: Muscarinic acetylcholine receptor M1 (GPCR)
Gene: CHRM1
UniProt: P11229 (ACM1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.25
Assay: Binding affinity towards human M1 receptor.
Drug: quetiapine
Target: Muscarinic acetylcholine receptor M2 (GPCR)
Gene: CHRM2
UniProt: P08172 (ACM2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.037
Drug: quetiapine
Target: Muscarinic acetylcholine receptor M3 (GPCR)
Gene: CHRM3
UniProt: P20309 (ACM3_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.795
Drug: quetiapine
Target: Muscarinic acetylcholine receptor M4 (GPCR)
Gene: CHRM4
UniProt: P08173 (ACM4_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.266
Drug: quetiapine
Target: Muscarinic acetylcholine receptor M5 (GPCR)
Gene: CHRM5
UniProt: P08912 (ACM5_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.524
Drug: quetiapine
Target: Aldehyde oxidase (Enzyme)
Gene: AOX1
UniProt: Q06278 (AOXA_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.854
Drug: quetiapine
Target: 5-hydroxytryptamine receptor 1B (GPCR)
Gene: HTR1B
UniProt: P28222 (5HT1B_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.822
Drug: quetiapine
Target: 5-hydroxytryptamine receptor 1D (GPCR)
Gene: HTR1D
UniProt: P28221 (5HT1D_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.7
Action type: AGONIST
Drug: quetiapine
Target: Alpha-2C adrenergic receptor (GPCR)
Gene: ADRA2C
UniProt: P18825 (ADA2C_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.241
Drug: quetiapine
Target: D(4) dopamine receptor (GPCR)
Gene: DRD4
UniProt: P21917 (DRD4_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.8
Action type: ANTAGONIST
Assay: Binding affinity towards human dopamine-4.2 receptor
Drug: quetiapine
Target: Alpha-1D adrenergic receptor (GPCR)
Gene: ADRA1D
UniProt: P25100 (ADA1D_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.457
Assay: DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)
Drug: quetiapine
Target: Alpha-1B adrenergic receptor (GPCR)
Gene: ADRA1B
UniProt: P35368 (ADA1B_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.409