AIM-Harvard/TrialPanorama-filtered huggingface dataset:
Drug: benzethonium
Target: Tyrosine-protein kinase Fyn (Kinase)
Gene: FYN
UniProt: P06241 (FYN_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.115
Assay: DRUGMATRIX: Protein Tyrosine Kinase, Fyn enzyme inhibition (substrate: Poly(Glu:Tyr))
Drug: benzethonium
Target: Receptor tyrosine-protein kinase erbB-2 (Kinase)
Gene: ERBB2
UniProt: P04626 (ERBB2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.681
Assay: DRUGMATRIX: Protein Tyrosine Kinase, ERBB2 (HER2) enzyme inhibition (substrate: Poly(Glu:Tyr))
Drug: benzethonium
Target: Substance-K receptor (GPCR)
Gene: TACR2
UniProt: P21452 (NK2R_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.192
Assay: DRUGMATRIX: Tachykinin NK2  radioligand binding (ligand: [3H] SR-48968)
Drug: benzethonium
Target: Membrane-associated progesterone receptor component 1 (Membrane receptor)
Gene: Pgrmc1
UniProt: P70580 (PGRC1_RAT)
Organism: Rattus norvegicus
Activity: Ki = 7.155
Assay: DRUGMATRIX: Sigma2 radioligand binding (ligand: [3H] Ifenprodil)
Drug: benzethonium
Target: KiSS-1 receptor (GPCR)
Gene: KISS1R
UniProt: Q969F8 (KISSR_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.44
Assay: Displacement of [125]metastin from metastin receptor
Drug: bergapten
Target: Amine oxidase [flavin-containing] A (Enzyme)
Gene: MAOA
UniProt: P21397 (AOFA_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.86
Assay: Inhibition of MAO-A (unknown origin)
Drug: bergapten
Target: Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Kinase)
Gene: Dyrk1a
UniProt: Q63470 (DYR1A_RAT)
Organism: Rattus norvegicus
Activity: AC50 = 5.83
Assay: active
Drug: bergapten
Target: Cytochrome P450 1A1 (Enzyme)
Gene: CYP1A1
UniProt: P04798 (CP1A1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.22
Assay: Inhibition of human recombinant CYP1A1 expressed in HEK293 cells using 7-ethoxyresorufin substrate preincubated for 30 mins followed by substrate addition and measured after 60 mins by fluorescence assay relative to control
Drug: bietamiverine
Target: Muscarinic acetylcholine receptor M1 (GPCR)
Gene: CHRM1
UniProt: P11229 (ACM1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.57
Assay: Displacement of [3H] N-methylscopolamine from human muscarinic M1 receptor expressed in CHOK1 cells after 30 mins by scintillation counting analysis
Drug: bietamiverine
Target: Muscarinic acetylcholine receptor M2 (GPCR)
Gene: CHRM2
UniProt: P08172 (ACM2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.99
Assay: Displacement of [3H] N-methylscopolamine from human muscarinic M2 receptor expressed in CHOK1 cells after 30 mins by scintillation counting analysis
Drug: bietamiverine
Target: Muscarinic acetylcholine receptor M3 (GPCR)
Gene: CHRM3
UniProt: P20309 (ACM3_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.73
Assay: Displacement of [3H] N-methylscopolamine from human muscarinic M3 receptor expressed in CHOK1 cells after 30 mins by scintillation counting analysis
Drug: bithionol
Target: Sodium/potassium-transporting ATPase subunit alpha-2 (Ion channel)
Gene: ATP1A2
UniProt: D2WKD8 (AT1A2_PIG)
Organism: Sus scrofa
Activity: IC50 = 5.299
Assay: DRUGMATRIX: ATPase, Na+/K+ enzyme inhibition (substrate: ATP)
Drug: bithionol
Target: Mu-type opioid receptor (GPCR)
Gene: OPRM1
UniProt: P35372 (OPRM_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.651
Assay: DRUGMATRIX: Opiate mu (OP3, MOP) radioligand binding (ligand: [3H] Diprenorphine)
Drug: bithionol
Target: Adenosine receptor A2a (GPCR)
Gene: ADORA2A
UniProt: P29274 (AA2AR_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.184
Assay: DRUGMATRIX: Adenosine A2A radioligand binding (ligand: AB-MECA)
Drug: bithionol
Target: Alpha-2A adrenergic receptor (GPCR)
Gene: ADRA2A
UniProt: P08913 (ADA2A_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.843
Assay: DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)
Drug: bithionol
Target: Sodium-dependent noradrenaline transporter (Transporter)
Gene: SLC6A2
UniProt: P23975 (SC6A2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.912
Assay: DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)
Drug: bithionol
Target: 5-hydroxytryptamine receptor 1A (GPCR)
Gene: HTR1A
UniProt: P08908 (5HT1A_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.501
Assay: DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1A radioligand binding (ligand: [3H] 8-OH-DPAT)
Drug: bithionol
Target: 5-hydroxytryptamine receptor 2B (GPCR)
Gene: HTR2B
UniProt: P41595 (5HT2B_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.365
Assay: DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)
Drug: bithionol
Target: 5-hydroxytryptamine receptor 2C (GPCR)
Gene: HTR2C
UniProt: P28335 (5HT2C_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.337
Assay: DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)
Drug: bithionol
Target: Alpha-2B adrenergic receptor (GPCR)
Gene: ADRA2B
UniProt: P18089 (ADA2B_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.252
Assay: DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)
Drug: bithionol
Target: D(3) dopamine receptor (GPCR)
Gene: DRD3
UniProt: P35462 (DRD3_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.844
Assay: DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)
Drug: bithionol
Target: Alpha-2C adrenergic receptor (GPCR)
Gene: ADRA2C
UniProt: P18825 (ADA2C_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.195
Assay: DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912)
Drug: bithionol
Target: Sodium-dependent dopamine transporter (Transporter)
Gene: SLC6A3
UniProt: Q01959 (SC6A3_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.761
Assay: DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)
Drug: bithionol
Target: Adenosine receptor A3 (GPCR)
Gene: ADORA3
UniProt: P0DMS8 (AA3R_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.33
Assay: DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA)
Drug: bithionol
Target: Estrogen receptor (Nuclear hormone receptor)
Gene: ESR1
UniProt: P03372 (ESR1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.4
Assay: PUBCHEM_BIOASSAY: Estrogen Receptor-alpha Coactivator Binding Inhibitors Dose Response Confirmation. (Class of assay: confirmatory) [Related pubchem assays: 629 (Primary screen preceding this dose response confirmation assay.)]
Drug: bithionol
Target: Estrogen receptor beta (Nuclear hormone receptor)
Gene: ESR2
UniProt: Q92731 (ESR2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.09
Assay: PUBCHEM_BIOASSAY: Estrogen Receptor-beta Coactivator Binding Inhibitors Dose Response Confirmation. (Class of assay: confirmatory) [Related pubchem assays: 633 (Primary screen preceding this dose response confirmation assay.)]
Drug: bithionol
Target: Epidermal growth factor receptor (Kinase)
Gene: EGFR
UniProt: P00533 (EGFR_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.212
Assay: DRUGMATRIX: Protein Tyrosine Kinase, EGF Receptor enzyme inhibition (substrate: Poly(Glu:Tyr))
Drug: bithionol
Target: Tyrosine-protein kinase Lck (Kinase)
Gene: LCK
UniProt: P06239 (LCK_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.647
Assay: DRUGMATRIX: Protein Tyrosine Kinase, LCK enzyme inhibition (substrate: Poly(Glu:Tyr))
Drug: bithionol
Target: Receptor tyrosine-protein kinase erbB-2 (Kinase)
Gene: ERBB2
UniProt: P04626 (ERBB2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.668
Assay: DRUGMATRIX: Protein Tyrosine Kinase, ERBB2 (HER2) enzyme inhibition (substrate: Poly(Glu:Tyr))
Drug: bithionol
Target: Thromboxane-A synthase (Enzyme)
Gene: TBXAS1
UniProt: P24557 (THAS_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.735
Assay: DRUGMATRIX: Thromboxane Synthetase enzyme inhibition (substrate: PGH2)
Drug: bithionol
Target: Mitogen-activated protein kinase 14 (Kinase)
Gene: MAPK14
UniProt: Q16539 (MK14_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.498
Assay: DRUGMATRIX: Protein Serine/Threonine Kinase, p38alpha enzyme inhibition (substrate: Myelin Basic Protein)
Drug: bithionol
Target: Solute carrier family 22 member 1 (Transporter)
Gene: SLC22A1
UniProt: O15245 (S22A1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.41
Assay: Inhibition of human OCT1-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay
Drug: bithionol
Target: Substance-K receptor (GPCR)
Gene: TACR2
UniProt: P21452 (NK2R_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.809
Assay: DRUGMATRIX: Tachykinin NK2  radioligand binding (ligand: [3H] SR-48968)
Drug: bithionol
Target: Mitogen-activated protein kinase 1 (Kinase)
Gene: MAPK1
UniProt: P28482 (MK01_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.415
Assay: DRUGMATRIX: Protein Serine/Threonine Kinase, ERK2 enzyme inhibition (substrate: Myelin Basic Protein)
Drug: bithionol
Target: 5-hydroxytryptamine receptor 1A (GPCR)
Gene: Htr1a
UniProt: P19327 (5HT1A_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 5.26
Drug: bithionol
Target: Solute carrier family 22 member 2 (Transporter)
Gene: SLC22A2
UniProt: O15244 (S22A2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.72
Assay: Inhibition of human OCT2-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay
Drug: bithionol
Target: Multidrug and toxin extrusion protein 1 (Transporter)
Gene: SLC47A1
UniProt: Q96FL8 (S47A1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.28
Assay: Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay
Drug: bithionol
Target: Multidrug and toxin extrusion protein 2 (Transporter)
Gene: SLC47A2
UniProt: Q86VL8 (S47A2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.18
Assay: Inhibition of human MATE2K-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay
Drug: bithionol
Target: Solute carrier family 22 member 3 (Transporter)
Gene: SLC22A3
UniProt: O75751 (S22A3_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.26
Assay: Inhibition of human OCT3-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay
Drug: bithionol
Target: M1-family alanyl aminopeptidase (Enzyme)
UniProt: Q8IEK1 (Q8IEK1_PLAF7)
Organism: Plasmodium falciparum (isolate 3D7)
Activity: IC50 = 4.37
Assay: Active
Drug: bithionol
Target: Envelope glycoprotein gp160 (Viral envelope protein)
Gene: env
UniProt: Q75760 (Q75760_9HIV1)
Organism: Human immunodeficiency virus 1
Activity: IC50 = 5.21
Assay: Active
Drug: bithionol
Target: Potassium channel subfamily T member 1 (Ion channel)
Gene: Kcnt1
UniProt: Q9Z258 (KCNT1_RAT)
Organism: Rattus norvegicus
Activity: EC50 = 6
Action type: ACTIVATOR
Drug: bithionol
Target: N-acyl-phosphatidylethanolamine-hydrolyzing phospholipase D (Unclassified)
Gene: NAPEPLD
UniProt: Q6IQ20 (NAPEP_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.97
Action type: INHIBITOR
Drug: broxuridine
Target: Thymidine kinase, cytosolic (Kinase)
Gene: TK1
UniProt: P04183 (KITH_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.3
Assay: Binding affinity against HSV-1(KOS) thymidine kinase
Drug: broxuridine
Target: Thymidylate kinase (Kinase)
Gene: tmk
UniProt: P9WKE1 (KTHY_MYCTU)
Organism: Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Activity: Ki = 5.3
Assay: Inhibition of Mycobacterium tuberculosis recombinant TMPK
Drug: bufexamac
Target: Histone deacetylase 6 (Enzyme)
Gene: HDAC6
UniProt: Q9UBN7 (HDAC6_HUMAN)
Organism: Homo sapiens
Activity: Kd = 4.97
Action type: INHIBITOR
Drug: bufexamac
Target: Histone deacetylase 10 (Enzyme)
Gene: HDAC10
UniProt: Q969S8 (HDA10_HUMAN)
Organism: Homo sapiens
Activity: Kd = 4.91
Action type: INHIBITOR
Drug: bufexamac
Target: Arachidonate 5-lipoxygenase (Enzyme)
Gene: Alox5
UniProt: P12527 (LOX5_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 6.89
Assay: Logarithmic value of inhibitory concentration against 5-lipoxygenase in rat basophilic leukemia cells (RBL-1)
Drug: bufexamac
Target: M1-family alanyl aminopeptidase (Enzyme)
UniProt: Q8IEK1 (Q8IEK1_PLAF7)
Organism: Plasmodium falciparum (isolate 3D7)
Activity: IC50 = 4.09
Assay: Active
Drug: butacaine
Target: Sodium channel alpha subunits; brain (Types I, II, III) (Ion channel)
Gene: SCN1A|SCN2A|SCN3A
UniProt: P35498|Q99250|Q9NY46 (SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.57
Assay: Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea pig cerebral cortex
Drug: butethamine
Target: Sodium channel alpha subunits; brain (Types I, II, III) (Ion channel)
Gene: SCN1A|SCN2A|SCN3A
UniProt: P35498|Q99250|Q9NY46 (SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.26
Assay: Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea pig cerebral cortex
Drug: capsaicin
Target: Transient receptor potential cation channel subfamily V member 1 (Ion channel)
Gene: TRPV1
UniProt: Q8NER1 (TRPV1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 8.22
Action type: OPENER
Assay: Binding affinity to human recombinant TRPV1
Drug: capsaicin
Target: Prostaglandin G/H synthase 1 (Enzyme)
Gene: PTGS1
UniProt: P23219 (PGH1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.42
Assay: Inhibition of COX1
Drug: capsaicin
Target: Cytochrome P450 1A2 (Enzyme)
Gene: CYP1A2
UniProt: P05177 (CP1A2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.523
Assay: DRUGMATRIX: CYP450, 1A2 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)
Drug: capsaicin
Target: Arachidonate 5-lipoxygenase (Enzyme)
Gene: ALOX5
UniProt: P09917 (LOX5_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.25
Assay: Inhibition of human PMNL 5-LOX using arachidonic acid as substrate after 5 mins by HPLC method
Drug: capsaicin
Target: Potassium voltage-gated channel subfamily A member 1 (Ion channel)
Gene: KCNA1
UniProt: Q09470 (KCNA1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.54
Assay: Inhibition of Kv1.1 (unknown origin)
Drug: capsaicin
Target: Tyrosine--tRNA ligase, cytoplasmic (Enzyme)
Gene: YARS
UniProt: P54577 (SYYC_HUMAN)
Organism: Homo sapiens
Activity: Ki = 4.38
Assay: Compound was tested for the inhibition of aminoacyl tRNA Synthetase
Drug: capsaicin
Target: Transient receptor potential cation channel subfamily V member 1 (Ion channel)
Gene: Trpv1
UniProt: O35433 (TRPV1_RAT)
Organism: Rattus norvegicus
Activity: Ki = 5.77
Assay: In vitro binding to Rat Vanilloid receptor 1 (VR1) expressing CHO cells compared to capsaicin
Drug: capsaicin
Target: NADH-ubiquinone oxidoreductase chain 1  (Unclassified)
Gene: MT-ND1
UniProt: P03887 (NU1M_BOVIN)
Organism: Bos taurus
Activity: IC50 = 4.28
Assay: Inhibition of Bos taurus (bovine) heart submitochondrial particle NDH1 assessed as NADH-DB reductase activity
Drug: capsaicin
Target: Transient receptor potential cation channel subfamily M member 8 (Ion channel)
Gene: Trpm8
UniProt: Q8R4D5 (TRPM8_MOUSE)
Organism: Mus musculus
Activity: IC50 = 4.55
Assay: Antagonist at TRPM8 isolated from mouse dorsal root ganglion cells expressed in HEK T-REx cells assessed as inhibition of menthol-induced intracellular Ca2+ influx by fluorescence-based assay
Drug: capsaicin
Target: Transient receptor potential cation channel subfamily V member 1 (Ion channel)
Gene: Trpv1
UniProt: Q704Y3 (TRPV1_MOUSE)
Organism: Mus musculus
Activity: EC50 = 8
Action type: ACTIVATOR
Drug: capsaicin
Target: Potassium voltage-gated channel subfamily A member 7 (Ion channel)
Gene: Kcna7
UniProt: Q17ST2 (KCNA7_MOUSE)
Organism: Mus musculus
Activity: IC50 = 4.6
Action type: BLOCKER
Drug: capsaicin
Target: Potassium voltage-gated channel subfamily A member 1 (Ion channel)
Gene: Kcna1
UniProt: P16388 (KCNA1_MOUSE)
Organism: Mus musculus
Activity: IC50 = 4.5
Action type: BLOCKER
Drug: capsaicin
Target: Potassium voltage-gated channel subfamily A member 2 (Ion channel)
Gene: Kcna2
UniProt: P63142 (KCNA2_RAT)
Organism: Rattus norvegicus
Activity: Kd = 4.4
Action type: BLOCKER
Drug: carbaryl
Target: Acetylcholinesterase (Enzyme)
Gene: ache
UniProt: O42275 (ACES_ELEEL)
Organism: Electrophorus electricus
Activity: IC50 = 5.51
Assay: Inhibitory activity towards eel acetylcholinesterase (AChE)
Drug: carbaryl
Target: Acetylcholinesterase (Enzyme)
Gene: ACHE
UniProt: P23795 (ACES_BOVIN)
Organism: Bos taurus
Activity: IC50 = 5.21
Assay: Inhibition of Bos taurus (bovine) erythrocytes acetylcholinesterase
Drug: carbaryl
Target: Ace-orthologous acetylcholinesterase; Acetylcholinesterase (Unclassified)
Gene: AO-AChE
UniProt: Q9NJH6 (Q9NJH6_NEPCI)
Organism: Nephotettix cincticeps
Activity: IC50 = 7.54
Assay: Inhibition of drug-susceptible Nephotettix cincticeps Ageo (green rice leafhopper) acetylcholinesterase
Drug: carbaryl
Target: Acetylcholinesterase (Enzyme)
Gene: Ache
UniProt: Q7YWJ9 (Q7YWJ9_MUSDO)
Organism: Musca domestica
Activity: IC50 = 6.7
Assay: Inhibition of Musca domestica (house fly) NAIDM head acetylcholinesterase
Drug: carbaryl
Target: Acetylcholinesterase (Enzyme)
Gene: ace2
UniProt: K4JQ36 (K4JQ36_9HEMI)
Organism: Laodelphax striatella
Activity: IC50 = 7.32
Assay: Inhibition of acetylcholinesterase in Laodelphax striatella Ibaraki (small brown planthopper) homogenate preincubated for 10 min before substrate addition measured after 10 min by Ellman method
Drug: carbon tetrachloride
Target: Cytochrome P450 2E1 (Enzyme)
Gene: CYP2E1
UniProt: P05181 (CP2E1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.959
Assay: DRUGMATRIX: CYP450, 2E1 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)
Drug: carglumic acid
Target: Carbamoyl-phosphate synthase [ammonia], mitochondrial (Enzyme)
Gene: CPS1
UniProt: P31327 (CPSM_HUMAN)
Organism: Homo sapiens
Action type: POSITIVE ALLOSTERIC MODULATOR
Assay: Mechanism of Action; CHEMBL2362990; SINGLE PROTEIN
Drug: articaine
Target: Sodium channel alpha subunits; brain (Types I, II, III) (Ion channel)
Gene: SCN1A|SCN2A|SCN3A
UniProt: P35498|Q99250|Q9NY46 (SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.29
Action type: BLOCKER
Assay: Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea pig cerebral cortex
Drug: cetrimonium
Target: Dynamin-1 (Structural)
Gene: DNM1
UniProt: Q05193 (DYN1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.36
Assay: Concentration required against dynamin-1 GTPase activity of sheep brain.
Drug: cetylpyridinium
Target: High affinity choline transporter 1 (Transporter)
Gene: Slc5a7
UniProt: Q8BGY9 (SC5A7_MOUSE)
Organism: Mus musculus
Activity: Ki = 4.49
Assay: Inhibition of [3H]choline uptake at choline transporter 1 in mouse brain synaptosome
Drug: cetylpyridinium
Target: Caspase-2 (Enzyme)
Gene: CASP2
UniProt: P42575 (CASP2_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 4.68
Assay: Activation of procaspase 2 after 24 hrs
Drug: chloroxylenol
Target: 5-hydroxytryptamine receptor 2B (GPCR)
Gene: HTR2B
UniProt: P41595 (5HT2B_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.928
Assay: DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)
Drug: chloroxylenol
Target: Amine oxidase [flavin-containing] A (Enzyme)
Gene: MAOA
UniProt: P21397 (AOFA_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.738
Assay: DRUGMATRIX: Monoamine Oxidase MAO-A enzyme inhibition (substrate: Kynuramine)
Drug: chlorquinaldol
Target: Botulinum neurotoxin type A (Enzyme)
Gene: botA
UniProt: P10845 (BXA1_CLOBO)
Organism: Clostridium botulinum
Activity: IC50 = 5
Assay: Inhibition of Clostridium botulinum BoNT/A LC expressed in Escherichia coli assessed as cleavage of SNAPtide preincubated for 5 mins followed by SNAPtide addition measured for 105 mins by fluorescence assay
Drug: cholic acid
Target: Bile acid receptor (Nuclear hormone receptor)
Gene: NR1H4
UniProt: Q96RI1 (NR1H4_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 4.35
Assay: Agonist activity at GST-tagged FXR-LBD (unknown origin) assessed as biotin-labeled SRC-1 recruitment after 30 mins by Alpha Screen assay
Drug: cholic acid
Target: G-protein coupled bile acid receptor 1 (GPCR)
Gene: GPBAR1
UniProt: Q8TDU6 (GPBAR_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 5
Action type: AGONIST
Drug: choline
Target: Acetylcholine receptor subunit delta (Ion channel)
Gene: chrnd
UniProt: P02718 (ACHD_TORCA)
Organism: Torpedo californica
Activity: Ki = 4.38
Assay: Binding affinity towards rat forebrain nicotinic acetylcholine receptor using [3H]EB as radioligand
Drug: choline
Target: High affinity choline transporter 1 (Transporter)
Gene: Slc5a7
UniProt: Q8BGY9 (SC5A7_MOUSE)
Organism: Mus musculus
Activity: IC50 = 5.8
Assay: In vitro ability to inhibit the transport of [3H]choline in to high affinity choline transport system HAChT
Drug: choline
Target: Neuronal acetylcholine receptor; alpha2/beta2 (Ion channel)
Gene: Chrna2|Chrnb2
UniProt: P12389|P12390 (ACHA2_RAT|ACHB2_RAT)
Organism: Rattus norvegicus
Activity: Ki = 4.74
Assay: Binding affinity towards rat nicotinic acetylcholine receptor alpha2-beta2 expressed in HEK293 cells using [3H]EB as radioligand
Drug: choline
Target: Neuronal acetylcholine receptor; alpha3/beta2 (Ion channel)
Gene: Chrna3|Chrnb2
UniProt: P04757|P12390 (ACHA3_RAT|ACHB2_RAT)
Organism: Rattus norvegicus
Activity: Ki = 4.43
Assay: Binding affinity towards rat Nicotinic acetylcholine receptor alpha3-beta2 expressed in HEK293 cells using [3H]EB as radioligand
Drug: choline
Target: Neuronal acetylcholine receptor; alpha3/beta4 (Ion channel)
Gene: Chrna3|Chrnb4
UniProt: P04757|P12392 (ACHA3_RAT|ACHB4_RAT)
Organism: Rattus norvegicus
Activity: Ki = 4.32
Assay: Binding affinity towards rat Nicotinic acetylcholine receptor alpha3-beta4 expressed in HEK293 cells using [3H]EB as radioligand
Drug: choline
Target: Neuronal acetylcholine receptor; alpha4/beta2 (Ion channel)
Gene: Chrna4|Chrnb2
UniProt: P09483|P12390 (ACHA4_RAT|ACHB2_RAT)
Organism: Rattus norvegicus
Activity: Ki = 4.43
Assay: Binding affinity towards rat Nicotinic acetylcholine receptor alpha4-beta2 expressed in HEK293 cells using [3H]EB as radioligand
Drug: choline
Target: Neuronal acetylcholine receptor; alpha4/beta4 (Ion channel)
Gene: Chrna4|Chrnb4
UniProt: P09483|P12392 (ACHA4_RAT|ACHB4_RAT)
Organism: Rattus norvegicus
Activity: Ki = 4.47
Assay: Binding affinity towards rat Nicotinic acetylcholine receptor alpha4-beta4 expressed in HEK293 cells using [3H]EB as radioligand
Drug: choline
Target: Creatine transporter (Transporter)
Gene: Slc6a8
UniProt: P28570 (SC6A8_RAT)
Organism: Rattus norvegicus
Activity: Ki = 4.38
Assay: Inhibition of [3H]-choline brain uptake was determined by in situ brain perfusion studies in male rats
Drug: cinchophen
Target: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Enzyme)
Gene: PDE10A
UniProt: Q9Y233 (PDE10_HUMAN)
Organism: Homo sapiens
Activity: Kd = 3.9
Assay: Binding affinity to human PDE10A catalytic domain expressed in Escherichia coli BL21-Gold(DE3) after 15 mins by SPR inhibition in solution assay
Drug: cinromide
Target: Sodium-dependent neutral amino acid transporter B(0)AT1 (Transporter)
Gene: SLC6A19
UniProt: Q695T7 (S6A19_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.4
Action type: INHIBITOR
Drug: clorindione
Target: Arachidonate 5-lipoxygenase (Enzyme)
Gene: Alox5
UniProt: P12527 (LOX5_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 5.3
Assay: In vitro inhibition of 5-lipoxygenase activity in RBL-1 cells.
Drug: cloxiquine
Target: Methionine aminopeptidase 2 (Enzyme)
Gene: METAP2
UniProt: P50579 (MAP2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.9
Assay: Inhibition of human methionine aminopeptidase 2
Drug: cloxiquine
Target: Catechol O-methyltransferase (Enzyme)
Gene: Comt
UniProt: P22734 (COMT_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 4.63
Assay: Inhibition of Sprague-Dawley rat liver COMT after 10 mins using 0.05 uCi [14CH3]-SAM as substrate
Drug: cloxiquine
Target: Methionine aminopeptidase 1 (Enzyme)
Gene: METAP1
UniProt: P53582 (MAP11_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.89
Assay: Inhibition of human methionine aminopeptidase 1