AIM-Harvard/TrialPanorama-filtered huggingface dataset:
Drug: aminobenzoic acid
Target: Carbonic anhydrase 2 (Enzyme)
Gene: CA2
UniProt: P00918 (CAH2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.09
Assay: Inhibition of human cytosolic carbonic anhydrase 2 by stopped flow CO2 hydration assay
Drug: aminobenzoic acid
Target: Carbonic anhydrase 1 (Enzyme)
Gene: CA1
UniProt: P00915 (CAH1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.08
Assay: Inhibition of human cytosolic carbonic anhydrase 1 by stopped flow CO2 hydration assay
Drug: aminobenzoic acid
Target: Acetylcholinesterase (Enzyme)
Gene: Ache
UniProt: P37136 (ACES_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 7.45
Assay: Inhibition of AChE activity in rat brain homogenate using acetylthiocholine as substrate by Ellman's method
Drug: aminobenzoic acid
Target: Polyphenol oxidase 2 (Enzyme)
Gene: PPO2
UniProt: O42713 (PPO2_AGABI)
Organism: Agaricus bisporus
Activity: IC50 = 5.42
Assay: Inhibition of mushroom tyrosinase using L-tyrosine as substrate assessed as dopachrome formation preincubated for 10 mins followed by protein addition measured after 20 mins by microplate reader analysis
Drug: aminobenzoic acid
Target: Dihydropteroate synthase (Enzyme)
Gene: folP
UniProt: Q81VW8 (Q81VW8_BACAN)
Organism: Bacillus anthracis
Activity: Kd = 5.25
Assay: Binding affinity to Bacillus anthracis DHPS expressed in Escherichia coli BL21 (DE3) after 30 mins by isothermal titration calorimetry
Drug: aminosalicylic acid
Target: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase (Kinase)
Gene: folK
UniProt: P9WNC6 (HPPK_MYCTO)
Organism: Mycobacterium tuberculosis (strain CDC 1551 / Oshkosh)
Drug: aminosalicylic acid
Target: Tyrosine-protein phosphatase non-receptor type 1 (Enzyme)
Gene: PTPN1
UniProt: P18031 (PTN1_HUMAN)
Organism: Homo sapiens
Activity: Kd = 2.92
Assay: Dissociation constant for Protein-tyrosine phosphatase 1B
Drug: aminosalicylic acid
Target: Cyclooxygenase (Enzyme)
Gene: PTGS1|PTGS2
UniProt: P23219|P35354 (PGH1_HUMAN|PGH2_HUMAN)
Organism: Homo sapiens
Action type: INHIBITOR
Assay: Mechanism of Action; CHEMBL2094253; PROTEIN FAMILY
Drug: pancuronium
Target: Acetylcholine receptor (Ion channel)
Gene: CHRNA1|CHRNB1|CHRND
UniProt: P02708|P11230|Q07001 (ACHA_HUMAN|ACHB_HUMAN|ACHD_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8.201
Action type: ANTAGONIST
Drug: pancuronium
Target: Neuronal acetylcholine receptor; alpha4/beta2 (Ion channel)
Gene: CHRNB2|CHRNA4
UniProt: P17787|P43681 (ACHB2_HUMAN|ACHA4_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8.26
Drug: pancuronium
Target: Acetylcholine receptor; alpha1/beta1/delta/gamma (Ion channel)
Gene: CHRNA1|CHRNG|CHRNB1|CHRND
UniProt: P02708|P07510|P11230|Q07001 (ACHA_HUMAN|ACHG_HUMAN|ACHB_HUMAN|ACHD_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.09
Assay: GRAC: human AChR-alpha1 commonly used antagonist
Drug: pantoprazole
Target: Sodium/potassium-transporting ATPase subunit alpha-1 (Transporter)
Gene: ATP1A1
UniProt: P05023 (AT1A1_HUMAN)
Organism: Homo sapiens
Drug: pantoprazole
Target: Fatty acid synthase (Enzyme)
Gene: FASN
UniProt: P49327 (FAS_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.39
Drug: pantoprazole
Target: Indoleamine 2,3-dioxygenase 2 (Enzyme)
Gene: Ido2
UniProt: Q8R0V5 (I23O2_MOUSE)
Organism: Mus musculus
Activity: IC50 = 4.9
Assay: Inhibition of mouse Ido2 transfected in HEK293T cells using L-tryptophan as substrate assessed as kynurenine formation after 45 mins by spectrophotometric analysis
Drug: pantoprazole
Target: Solute carrier family 22 member 2 (Transporter)
Gene: SLC22A2
UniProt: O15244 (S22A2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.82
Assay: Inhibition of human OCT2-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay
Drug: pantoprazole
Target: Multidrug and toxin extrusion protein 1 (Transporter)
Gene: SLC47A1
UniProt: Q96FL8 (S47A1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.55
Assay: Inhibition of human MATE1-mediated [14]-metformin uptake expressed in polarized MDCK2 cells after 5 mins by liquid scintillation counting analysis
Drug: pantoprazole
Target: Multidrug and toxin extrusion protein 2 (Transporter)
Gene: SLC47A2
UniProt: Q86VL8 (S47A2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.36
Assay: Inhibition of human MATE2K-mediated ASP+ uptake expressed in HEK293 cells up to 500 uM after 1.5 mins by fluorescence assay
Drug: pantoprazole
Target: Potassium-transporting ATPase (Transporter)
Gene: ATP4A|ATP4B
UniProt: P20648|P51164 (ATP4A_HUMAN|ATP4B_HUMAN)
Organism: Homo sapiens
Action type: INHIBITOR
Assay: Mechanism of Action; CHEMBL2095173; PROTEIN COMPLEX
Drug: pantoprazole
Target: N(G),N(G)-dimethylarginine dimethylaminohydrolase 1 (Enzyme)
Gene: DDAH1
UniProt: O94760 (DDAH1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.2
Assay: Inhibition of recombinant human DDAH1 expressed in Escherichia coli BL21 Star (DE3) using ADMA as substrate assessed as decrease in citrulline production after 4 hrs by colorimetric method
Drug: pantoprazole
Target: Potassium-transporting ATPase (Enzyme)
Gene: ATP4B|ATP4A
UniProt: P18597|P27112 (ATP4B_RABIT|ATP4A_RABIT)
Organism: Oryctolagus cuniculus
Activity: IC50 = 6
Assay: [14C]AP accumulation as an indicator of acid secretion in rabbit isolated fundic glands
Drug: papaverine
Target: Potassium voltage-gated channel subfamily H member 2 (Ion channel)
Gene: KCNH2
UniProt: Q12809 (KCNH2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.14
Assay: Inhibition of human ERG
Drug: papaverine
Target: cGMP-inhibited 3',5'-cyclic phosphodiesterase A (Enzyme)
Gene: PDE3A
UniProt: Q14432 (PDE3A_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.55
Assay: Inhibition of human recombinant PDE3A transfected in Sf9 cells by SPA
Drug: papaverine
Target: cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Enzyme)
Gene: PDE4B
UniProt: Q07343 (PDE4B_HUMAN)
Organism: Homo sapiens
Drug: papaverine
Target: Acetylcholinesterase (Enzyme)
Gene: ACHE
UniProt: P22303 (ACES_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.61
Assay: Inhibition of AChE activity
Drug: papaverine
Target: cGMP-specific 3',5'-cyclic phosphodiesterase (Enzyme)
Gene: PDE5A
UniProt: O76074 (PDE5A_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.06
Assay: Inhibitory activity against cyclic GMP-phosphodiesterase (PDE V) isolated from porcine aorta.
Drug: papaverine
Target: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Enzyme)
Gene: PDE10A
UniProt: Q9Y233 (PDE10_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.77
Assay: Inhibition of human PDE10A expressed in Sf9 cells using [3H]cAMP by scintillation proximity assay
Drug: papaverine
Target: Cytochrome P450 2C19 (Enzyme)
Gene: CYP2C19
UniProt: P33261 (CP2CJ_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.118
Assay: DRUGMATRIX: CYP450, 2C19 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)
Drug: papaverine
Target: cAMP-specific 3',5'-cyclic phosphodiesterase 4A (Enzyme)
Gene: PDE4A
UniProt: P27815 (PDE4A_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.088
Assay: DRUGMATRIX: Phosphodiesterase PDE4 enzyme inhibition (substrate: [3H]cAMP + cAMP)
Drug: papaverine
Target: cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Enzyme)
Gene: PDE4D
UniProt: Q08499 (PDE4D_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.85
Assay: Inhibition of PDE4D (unknown origin)
Drug: papaverine
Target: cGMP-dependent 3',5'-cyclic phosphodiesterase (Enzyme)
Gene: PDE2A
UniProt: O00408 (PDE2A_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.64
Assay: Inhibition of cGMP-stimulated phosphodiesterase 2 of porcine coronary arteries
Drug: papaverine
Target: cGMP-inhibited 3',5'-cyclic phosphodiesterase B (Enzyme)
Gene: PDE3B
UniProt: Q13370 (PDE3B_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.38
Assay: Inhibition of human recombinant PDE3B transfected in Sf9 cells by SPA
Drug: papaverine
Target: Protein-arginine deiminase type-4 (Enzyme)
Gene: PADI4
UniProt: Q9UM07 (PADI4_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.41
Assay: PUBCHEM_BIOASSAY: Fluorescence-based biochemical dose response assay to identify inhibitors of Protein Arginine Deaminase 4 (PAD4). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463073, AID463083, AID485272, AID488796]
Drug: papaverine
Target: Acetylcholinesterase (Enzyme)
Gene: ache
UniProt: O42275 (ACES_ELEEL)
Organism: Electrophorus electricus
Activity: IC50 = 4.61
Assay: Inhibition of Electrophorus electricus (electric eel) acetylcholinesterase (AChE) using acetylcholine iodide as substrate by Ellman method
Drug: papaverine
Target: Cyclic nucleotide phosphodiesterase PDE3A (Enzyme)
UniProt: Q9XSW7 (Q9XSW7_PIG)
Organism: Sus scrofa
Activity: IC50 = 6.21
Assay: Inhibition of cGMP-inhibited phosphodiesterase from porcine coronary arteries
Drug: papaverine
Target: Cyclic AMP-specific phosphodiesterase SSPDE4A1A (Enzyme)
Gene: PDE4A
UniProt: O77823 (O77823_PIG)
Organism: Sus scrofa
Activity: IC50 = 5.77
Assay: Inhibition of cAMP specific phosphodiesterase from porcine coronary arteries
Drug: papaverine
Target: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Enzyme)
Gene: Pde10a
UniProt: Q9QYJ6 (PDE10_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 7.44
Assay: Inhibition of rat PDE10A
Drug: papaverine
Target: Phosphodiesterase 1 (Enzyme)
Gene: PDE1A|PDE1B|PDE1C
UniProt: P54750|Q01064|Q14123 (PDE1A_HUMAN|PDE1B_HUMAN|PDE1C_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.05
Assay: Inhibition of [Ca(2+)]/calmodulin dependent phosphodiesterase PDE 1 of human lung
Drug: papaverine
Target: Phosphodiesterase 1 (Enzyme)
Gene: PDE1A|PDE1B
UniProt: P14100|Q01061 (PDE1A_BOVIN|PDE1B_BOVIN)
Organism: Bos taurus
Activity: IC50 = 5.06
Assay: Inhibitory activity against cyclic nucleotide phosphodiesterase in bovine heart carried out at 37 C with cAMP (1 M) as substrate.
Drug: papaverine
Target: Phosphodiesterase 1 (Enzyme)
Gene: Pde1b|Pde1c|Pde1a
UniProt: Q01066|Q63421|Q9EPR9 (PDE1B_RAT|PDE1C_RAT|Q9EPR9_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 4.92
Assay: Inhibition of Ca-dependent phosphodiesterase from Rat cerebral cortex using 1 uM cAMP
Drug: papaverine
Target: Serine hydroxymethyltransferase, mitochondrial (Enzyme)
Gene: SHMT2
UniProt: P34897 (GLYM_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.57
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: paramethadione
Target: Voltage-gated T-type calcium channel (Ion channel)
Gene: CACNA1G|CACNA1H|CACNA1I
UniProt: O43497|O95180|Q9P0X4 (CAC1G_HUMAN|CAC1H_HUMAN|CAC1I_HUMAN)
Organism: Homo sapiens
Action type: BLOCKER
Assay: Mechanism of Action; CHEMBL2362995; PROTEIN FAMILY
Drug: parecoxib
Target: Prostaglandin G/H synthase 1 (Enzyme)
Gene: PTGS1
UniProt: P23219 (PGH1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 3.854
Action type: INHIBITOR
Assay: recombinant human cyclooxygenase
Drug: parecoxib
Target: Prostaglandin G/H synthase 2 (Enzyme)
Gene: PTGS2
UniProt: P35354 (PGH2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8.301
Action type: INHIBITOR
Assay: recombinant human cyclooxygenase
Drug: pargyline
Target: Amine oxidase [flavin-containing] B (Enzyme)
Gene: MAOB
UniProt: P27338 (AOFB_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.74
Action type: INHIBITOR
Assay: Inhibition constant against human recombinant Monoamine oxidase-B
Drug: pargyline
Target: Amine oxidase [flavin-containing] A (Enzyme)
Gene: MAOA
UniProt: P21397 (AOFA_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.47
Action type: INHIBITOR
Assay: Inhibition of MAOA (unknown origin) using kynuramine as substrate after 1 hr by fluorescence assay
Drug: pargyline
Target: Amine oxidase [flavin-containing] B (Enzyme)
Gene: Maob
UniProt: P19643 (AOFB_RAT)
Organism: Rattus norvegicus
Activity: Ki = 5.47
Assay: Inhibition of MAO-B in rat liver homogenate after 60 mins by Lineweaver-Burke plot
Drug: pargyline
Target: Amine oxidase [flavin-containing] A (Enzyme)
Gene: Maoa
UniProt: P21396 (AOFA_RAT)
Organism: Rattus norvegicus
Activity: Ki = 5.07
Assay: Inhibition of MAO-A in rat liver homogenate after 60 mins by Lineweaver-Burke plot
Drug: pargyline
Target: Aldehyde dehydrogenase, mitochondrial (Enzyme)
Gene: Aldh2
UniProt: P11884 (ALDH2_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 5.25
Assay: Inhibition of Sprague-Dawley rat mitochondrial aldehyde dehydrogenase
Drug: paricalcitol
Target: Vitamin D3 receptor (Nuclear hormone receptor)
Gene: VDR
UniProt: P11473 (VDR_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 8.7
Action type: AGONIST
Drug: paroxetine
Target: Beta-1 adrenergic receptor (GPCR)
Gene: ADRB1
UniProt: P08588 (ADRB1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5
Drug: paroxetine
Target: Sigma non-opioid intracellular receptor 1 (Membrane receptor)
Gene: SIGMAR1
UniProt: Q99720 (SGMR1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.647
Assay: DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol)
Drug: paroxetine
Target: Potassium voltage-gated channel subfamily H member 2 (Ion channel)
Gene: KCNH2
UniProt: Q12809 (KCNH2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.068
Assay: DRUGMATRIX: Potassium Channel HERG radioligand binding (ligand: [3H] Astemizole)
Drug: paroxetine
Target: Sodium-dependent serotonin transporter (Transporter)
Gene: SLC6A4
UniProt: P31645 (SC6A4_HUMAN)
Organism: Homo sapiens
Activity: Ki = 10.4
Action type: INHIBITOR
Assay: Binding inhibition towards human serotonin transporter
Drug: paroxetine
Target: Sodium-dependent noradrenaline transporter (Transporter)
Gene: SLC6A2
UniProt: P23975 (SC6A2_HUMAN)
Organism: Homo sapiens
Activity: Kd = 7.398
Drug: paroxetine
Target: 5-hydroxytryptamine receptor 1A (GPCR)
Gene: HTR1A
UniProt: P08908 (5HT1A_HUMAN)
Organism: Homo sapiens
Activity: Kd = 4.52
Assay: Binding affinity to 5HT1A receptor
Drug: paroxetine
Target: D(3) dopamine receptor (GPCR)
Gene: DRD3
UniProt: P35462 (DRD3_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.42
Drug: paroxetine
Target: Muscarinic acetylcholine receptor M1 (GPCR)
Gene: CHRM1
UniProt: P11229 (ACM1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.456
Assay: DRUGMATRIX: Muscarinic M1 radioligand binding (ligand: [3H] N-Methylscopolamine)
Drug: paroxetine
Target: Muscarinic acetylcholine receptor M2 (GPCR)
Gene: CHRM2
UniProt: P08172 (ACM2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.724
Assay: DRUGMATRIX: Muscarinic M2 radioligand binding (ligand: [3H] N-Methylscopolamine)
Drug: paroxetine
Target: Muscarinic acetylcholine receptor M3 (GPCR)
Gene: CHRM3
UniProt: P20309 (ACM3_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.42
Assay: DRUGMATRIX: Muscarinic M3 radioligand binding (ligand: [3H] N-Methylscopolamine)
Drug: paroxetine
Target: Muscarinic acetylcholine receptor M4 (GPCR)
Gene: CHRM4
UniProt: P08173 (ACM4_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.469
Assay: DRUGMATRIX: Muscarinic M4 radioligand binding (ligand: [3H] N-Methylscopolamine)
Drug: paroxetine
Target: Muscarinic acetylcholine receptor M5 (GPCR)
Gene: CHRM5
UniProt: P08912 (ACM5_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.051
Assay: DRUGMATRIX: Muscarinic M5 radioligand binding (ligand: [3H] N-Methylscopolamine)
Drug: paroxetine
Target: Sodium-dependent dopamine transporter (Transporter)
Gene: SLC6A3
UniProt: Q01959 (SC6A3_HUMAN)
Organism: Homo sapiens
Activity: Kd = 6.31
Drug: paroxetine
Target: Cytochrome P450 2D6 (Enzyme)
Gene: CYP2D6
UniProt: P10635 (CP2D6_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6
Assay: DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)
Drug: paroxetine
Target: Cytochrome P450 1A2 (Enzyme)
Gene: CYP1A2
UniProt: P05177 (CP1A2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.96
Drug: paroxetine
Target: Substance-P receptor (GPCR)
Gene: TACR1
UniProt: P25103 (NK1R_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.05
Assay: Displacement of [125I]substance P from human recombinant NK1 receptor expressed in human U373 cells after 1 hr by scintillation counting analysis
Drug: paroxetine
Target: Myeloperoxidase (Enzyme)
Gene: MPO
UniProt: P05164 (PERM_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.7
Assay: Inhibition of recombinant MPO (unknown origin) assessed as reduction in taurine chloramine production preincubated with enzyme and taurine followed by H2O2 addition measured after 5 mins
Drug: paroxetine
Target: Beta-adrenergic receptor kinase 1 (Kinase)
Gene: GRK2
UniProt: P25098 (ARBK1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.86
Assay: Inhibition of GRK2 (unknown origin)
Drug: paroxetine
Target: Sodium-dependent serotonin transporter (Transporter)
Gene: Slc6a4
UniProt: P31652 (SC6A4_RAT)
Organism: Rattus norvegicus
Activity: Ki = 10.3
Assay: Displacement of [3H]citalopram from serotonin transporter in Sprague-Dawley rat brain after 1 hr by liquid scintillation counting
Drug: paroxetine
Target: Sodium-dependent dopamine transporter (Transporter)
Gene: Slc6a3
UniProt: P23977 (SC6A3_RAT)
Organism: Rattus norvegicus
Activity: Ki = 7.01
Assay: Displacement of [3H]WIN 35428 from dopamine transporter in Sprague-Dawley rat brain after 1 hr by liquid scintillation counting
Drug: paroxetine
Target: Transporter (Transporter)
Gene: Slc6a2
UniProt: Q9WTR4 (Q9WTR4_RAT)
Organism: Rattus norvegicus
Activity: Ki = 7.48
Assay: Inhibition of [3H]- NE reuptake into rat hippocampal synaptosomes
Drug: paroxetine
Target: Sodium-dependent dopamine transporter (Transporter)
Gene: Slc6a3
UniProt: Q61327 (SC6A3_MOUSE)
Organism: Mus musculus
Activity: Ki = 9.36
Assay: Tested in vitro for serotonin(5-HT) neuronal uptake inhibition
Drug: paroxetine
Target: Sodium-dependent noradrenaline transporter (Transporter)
Gene: Slc6a2
UniProt: O55192 (SC6A2_MOUSE)
Organism: Mus musculus
Activity: Ki = 7.7
Assay: Tested in vitro for norepinephrine (NE) neuronal uptake inhibition
Drug: paroxetine
Target: Transporter (Transporter)
Gene: NET
UniProt: Q63380 (Q63380_RAT)
Organism: Rattus norvegicus
Activity: Ki = 7.23
Assay: Displacement of [3H]nisoxetine from norepinephrine transporter in Sprague-Dawley rat frontal cortex after 1 hr by liquid scintillation counting
Drug: paroxetine
Target: Quinolone resistance protein NorA (Transporter)
Gene: norA
UniProt: P0A0J7 (NORA_STAAU)
Organism: Staphylococcus aureus
Activity: IC50 = 5.15
Assay: Inhibition of NorA in Staphylococcus aureus 1199B assessed as inhibition of ethidium bromide efflux dose response curve based fluorometric assay
Drug: paroxetine
Target: P2X purinoceptor 4 (Ion channel)
Gene: P2RX4
UniProt: Q99571 (P2RX4_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.33
Assay: Antagonist activity at human P2X4 receptor expressed in human 1321N1 cells assessed as inhibition of ATP-induced cytosolic calcium influx preincubated for 30 mins followed by ATP addition by Fluo-4 AM dye-based fluorescence assay
Drug: paroxetine
Target: Adrenergic receptor alpha-2 (GPCR)
Gene: Adra2b|Adra2c|Adra2a
UniProt: P19328|P22086|P22909 (ADA2B_RAT|ADA2C_RAT|ADA2A_RAT)
Organism: Rattus norvegicus
Activity: Ki = 5.2
Assay: Evaluated for affinity at Alpha-2 adrenergic receptor of rat brain using [3H]rauwolscine as radioligand in radioligand binding assay
Drug: paroxetine
Target: Adrenergic receptor alpha-1 (GPCR)
Gene: Adra1b|Adra1d|Adra1a
UniProt: P15823|P23944|P43140 (ADA1B_RAT|ADA1D_RAT|ADA1A_RAT)
Organism: Rattus norvegicus
Activity: Ki = 5.27
Assay: Evaluated for affinity at Alpha-1 adrenergic receptor of rat brain using [3H]prazosin as radioligand in radioligand binding assay
Drug: paroxetine
Target: P2X purinoceptor 4 (Unclassified)
Gene: P2rx4
UniProt: P51577 (P2RX4_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 5.61
Assay: Antagonist activity at rat P2X4 receptor tranfected in human 1321N1 cells assessed as inhibition of ATP-induced calcium influx incubated for 10 mins by Fluo2-AM staining based inverted fluorescence microscopic method
Drug: paroxetine
Target: Beta-adrenergic receptor kinase 1 (Kinase)
Gene: GRK2
UniProt: P21146 (ARBK1_BOVIN)
Organism: Bos taurus
Activity: IC50 = 5.89
Assay: Inhibition of bovine GRK2 S670A mutant assessed as decrease in phosphorylation of tubulin after 5 mins by SDS-PAGE analysis
Drug: pefloxacin
Target: DNA gyrase subunit A (Enzyme)
Gene: gyrA
UniProt: P0AES4 (GYRA_ECOLI)
Organism: Escherichia coli (strain K12)
Activity: IC50 = 6.785
Drug: pefloxacin
Target: Cytochrome P450 1A2 (Enzyme)
Gene: CYP1A2
UniProt: P05177 (CP1A2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 4.097
Drug: pefloxacin
Target: DNA gyrase subunit B (Enzyme)
Gene: gyrB
UniProt: P0AES6 (GYRB_ECOLI)
Organism: Escherichia coli (strain K12)
Activity: IC50 = 6.785
Drug: pemetrexed
Target: Thymidylate synthase (Enzyme)
Gene: TYMS
UniProt: P04818 (TYSY_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.468
Action type: INHIBITOR
Drug: pemetrexed
Target: Dihydrofolate reductase (Enzyme)
Gene: DHFR
UniProt: P00374 (DYR_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.181
Action type: INHIBITOR
Drug: pemetrexed
Target: Folylpolyglutamate synthase, mitochondrial (Enzyme)
Gene: FPGS
UniProt: Q05932 (FOLC_HUMAN)
Organism: Homo sapiens
Drug: pemetrexed
Target: Bifunctional dihydrofolate reductase-thymidylate synthase (Enzyme)
UniProt: Q07422 (DRTS_TOXGO)
Organism: Toxoplasma gondii
Activity: IC50 = 6.37
Assay: Inhibition of Toxoplasma gondii DHFR
Drug: pemetrexed
Target: Serine hydroxymethyltransferase, cytosolic (Enzyme)
Gene: SHMT1
UniProt: P34896 (GLYC_HUMAN)
Organism: Homo sapiens
Activity: Kd = 4.77
Assay: Binding affinity to human recombinant Serine hydroxymethyltransferase, cytosolic by isothermal titration calorimetry
Drug: pemetrexed
Target: Folate receptor beta (Membrane receptor)
Gene: FOLR2
UniProt: P14207 (FOLR2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.22
Drug: pemetrexed
Target: Proton-coupled folate transporter (Transporter)
Gene: SLC46A1
UniProt: Q96NT5 (PCFT_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.03
Assay: Inhibition of [3H]MTX transport at human PCFT expressed in Chinese hamster R2 cells at pH 5.5 by Dixon plot
Drug: pemetrexed
Target: Dihydrofolate reductase (Enzyme)
Gene: Dhfr
UniProt: P00375 (DYR_MOUSE)
Organism: Mus musculus
Activity: Ki = 6.25
Assay: Binding affinity against dihydrofolate reductase
Drug: pemetrexed
Target: Thymidylate synthase (Enzyme)
Gene: thyA
UniProt: P0A884 (TYSY_ECOLI)
Organism: Escherichia coli (strain K12)
Activity: IC50 = 4.82
Assay: Inhibition Assay: Inhibition of various kinase enzyme.
Drug: pemetrexed
Target: Dihydrofolate reductase (Enzyme)
Gene: folA
UniProt: P00381 (DYR_LACCA)
Organism: Lactobacillus casei
Activity: IC50 = 5.64
Assay: Inhibitory concentration against isolated Lactobacillus casei Dihydrofolate reductase
Drug: pemetrexed
Target: Thymidylate synthase (Enzyme)
Gene: Tyms
UniProt: P07607 (TYSY_MOUSE)
Organism: Mus musculus
Activity: Ki = 6.47
Assay: Compound was evaluated for competitive inhibition of recombinant mouse thymidylate synthase
Drug: pemetrexed
Target: Thymidylate synthase (Enzyme)
Gene: Tyms
UniProt: P45352 (TYSY_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 4.7
Assay: Inhibitory concentration against isolated rat thymidylate synthase
Drug: pemetrexed
Target: Thymidylate synthase (Enzyme)
Gene: thyA
UniProt: P00469 (TYSY_LACCA)
Organism: Lactobacillus casei
Activity: Ki = 6.26
Assay: Binding affinity against TS
Drug: pemetrexed
Target: Dihydrofolate reductase (Enzyme)
Gene: dfrA17
UniProt: B0BL08 (B0BL08_ECOLX)
Organism: Escherichia coli
Activity: IC50 = 5.64
Assay: Inhibitory activity against recombinant Escherichia coli dihydrofolate reductase
Drug: pemetrexed
Target: Thymidylate synthase (Enzyme)
Gene: thyA
UniProt: C3SWJ7 (C3SWJ7_ECOLX)
Organism: Escherichia coli
Activity: IC50 = 5.96
Assay: Inhibitory activity against Escherichia coli thymidylate synthase
Drug: pemetrexed
Target: Thymidylate synthase (EC 2.1.1.45) (TS) (TSase) (Enzyme)
UniProt: E2QDN0 (E2QDN0_ECOLX)
Organism: Escherichia coli
Activity: IC50 = 4.12
Assay: Inhibition of Escherichia coli TS assessed as oxidation of tetrahydrofolate to dihydrofolate after 2 to 12 mins by spectrophotometry
Drug: pemetrexed
Target: Folate transporter 1 (Transporter)
Gene: SLC19A1
UniProt: P41440 (S19A1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.86
Drug: pemetrexed
Target: Folate receptor alpha (Membrane receptor)
Gene: FOLR1
UniProt: P15328 (FOLR1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.38