AIM-Harvard/TrialPanorama-filtered huggingface dataset:
Drug: hexachlorophene
Target: Sodium/potassium-transporting ATPase subunit alpha-2 (Ion channel)
Gene: ATP1A2
UniProt: D2WKD8 (AT1A2_PIG)
Organism: Sus scrofa
Activity: IC50 = 5.212
Assay: DRUGMATRIX: ATPase, Na+/K+ enzyme inhibition (substrate: ATP)
Drug: hexachlorophene
Target: Prostaglandin G/H synthase 2 (Enzyme)
Gene: PTGS2
UniProt: P35354 (PGH2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.191
Assay: DRUGMATRIX: Cyclooxygenase COX-2 enzyme inhibition (substrate: Arachidonic acid)
Drug: hexachlorophene
Target: Adenosine receptor A2a (GPCR)
Gene: ADORA2A
UniProt: P29274 (AA2AR_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.043
Assay: DRUGMATRIX: Adenosine A2A radioligand binding (ligand: AB-MECA)
Drug: hexachlorophene
Target: Alpha-2A adrenergic receptor (GPCR)
Gene: ADRA2A
UniProt: P08913 (ADA2A_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.686
Assay: DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)
Drug: hexachlorophene
Target: Sodium-dependent serotonin transporter (Transporter)
Gene: SLC6A4
UniProt: P31645 (SC6A4_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.636
Assay: DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)
Drug: hexachlorophene
Target: 5-hydroxytryptamine receptor 2B (GPCR)
Gene: HTR2B
UniProt: P41595 (5HT2B_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.441
Assay: DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)
Drug: hexachlorophene
Target: 5-hydroxytryptamine receptor 2C (GPCR)
Gene: HTR2C
UniProt: P28335 (5HT2C_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.618
Assay: DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)
Drug: hexachlorophene
Target: Alpha-2C adrenergic receptor (GPCR)
Gene: ADRA2C
UniProt: P18825 (ADA2C_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.994
Assay: DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912)
Drug: hexachlorophene
Target: Adenosine receptor A3 (GPCR)
Gene: ADORA3
UniProt: P0DMS8 (AA3R_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.442
Assay: DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA)
Drug: hexachlorophene
Target: Estrogen receptor (Nuclear hormone receptor)
Gene: ESR1
UniProt: P03372 (ESR1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.67
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: hexachlorophene
Target: Acetylcholinesterase (Enzyme)
Gene: ACHE
UniProt: P22303 (ACES_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.521
Assay: DRUGMATRIX: Acetylcholinesterase enzyme inhibition (substrate: acetylthiocholine)
Drug: hexachlorophene
Target: Estrogen receptor beta (Nuclear hormone receptor)
Gene: ESR2
UniProt: Q92731 (ESR2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.01
Assay: PUBCHEM_BIOASSAY: Estrogen Receptor-beta Coactivator Binding Inhibitors ELISA Secondary Assay. (Class of assay: confirmatory) [Related pubchem assays: 633 (Primary screen preceding this ELISA dose response confirmation assay.), 733 (Primary dose response assay preceding this ELISA dose response confirmation assay.)]
Drug: hexachlorophene
Target: Cytochrome P450 1A2 (Enzyme)
Gene: CYP1A2
UniProt: P05177 (CP1A2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.882
Assay: DRUGMATRIX: CYP450, 1A2 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)
Drug: hexachlorophene
Target: Epidermal growth factor receptor (Kinase)
Gene: EGFR
UniProt: P00533 (EGFR_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.126
Assay: DRUGMATRIX: Protein Tyrosine Kinase, EGF Receptor enzyme inhibition (substrate: Poly(Glu:Tyr))
Drug: hexachlorophene
Target: Cytochrome P450 2C19 (Enzyme)
Gene: CYP2C19
UniProt: P33261 (CP2CJ_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.911
Assay: DRUGMATRIX: CYP450, 2C19 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)
Drug: hexachlorophene
Target: D-lactate dehydrogenase (Enzyme)
Gene: dld
UniProt: P06149 (DLD_ECOLI)
Organism: Escherichia coli (strain K12)
Drug: hexachlorophene
Target: Tyrosine-protein kinase Lck (Kinase)
Gene: LCK
UniProt: P06239 (LCK_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.614
Assay: DRUGMATRIX: Protein Tyrosine Kinase, LCK enzyme inhibition (substrate: Poly(Glu:Tyr))
Drug: hexachlorophene
Target: Tyrosine-protein kinase Fyn (Kinase)
Gene: FYN
UniProt: P06241 (FYN_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.459
Assay: DRUGMATRIX: Protein Tyrosine Kinase, Fyn enzyme inhibition (substrate: Poly(Glu:Tyr))
Drug: hexachlorophene
Target: Receptor tyrosine-protein kinase erbB-2 (Kinase)
Gene: ERBB2
UniProt: P04626 (ERBB2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.479
Assay: DRUGMATRIX: Protein Tyrosine Kinase, ERBB2 (HER2) enzyme inhibition (substrate: Poly(Glu:Tyr))
Drug: hexachlorophene
Target: Thromboxane-A synthase (Enzyme)
Gene: TBXAS1
UniProt: P24557 (THAS_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.51
Assay: DRUGMATRIX: Thromboxane Synthetase enzyme inhibition (substrate: PGH2)
Drug: hexachlorophene
Target: Mitogen-activated protein kinase 3 (Kinase)
Gene: MAPK3
UniProt: P27361 (MK03_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.605
Assay: DRUGMATRIX: Protein Serine/Threonine Kinase, ERK1 enzyme inhibition (substrate: Myelin Basic Protein)
Drug: hexachlorophene
Target: Mitogen-activated protein kinase 14 (Kinase)
Gene: MAPK14
UniProt: Q16539 (MK14_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.057
Assay: DRUGMATRIX: Protein Serine/Threonine Kinase, p38alpha enzyme inhibition (substrate: Myelin Basic Protein)
Drug: hexachlorophene
Target: Substance-K receptor (GPCR)
Gene: TACR2
UniProt: P21452 (NK2R_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.86
Assay: DRUGMATRIX: Tachykinin NK2  radioligand binding (ligand: [3H] SR-48968)
Drug: hexachlorophene
Target: Androgen receptor (Transcription factor)
Gene: Ar
UniProt: P15207 (ANDR_RAT)
Organism: Rattus norvegicus
Activity: Ki = 5.479
Assay: DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Mibolerone)
Drug: hexachlorophene
Target: Mitogen-activated protein kinase 1 (Kinase)
Gene: MAPK1
UniProt: P28482 (MK01_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.708
Assay: DRUGMATRIX: Protein Serine/Threonine Kinase, ERK2 enzyme inhibition (substrate: Myelin Basic Protein)
Drug: hexachlorophene
Target: Enoyl-[acyl-carrier-protein] reductase [NADH] FabI (Enzyme)
Gene: fabI
UniProt: P0AEK4 (FABI_ECOLI)
Organism: Escherichia coli (strain K12)
Action type: INHIBITOR
Assay: Mechanism of Action; CHEMBL2364678; SINGLE PROTEIN
Drug: hexachlorophene
Target: Zinc finger protein mex-5 (Cytosolic other)
Gene: mex-5
UniProt: Q9XUB2 (MEX5_CAEEL)
Organism: Caenorhabditis elegans
Activity: EC50 = 4.72
Assay: Inconclusive
Drug: hexachlorophene
Target: Transitional endoplasmic reticulum ATPase (Enzyme)
Gene: VCP
UniProt: P55072 (TERA_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.26
Assay: PUBCHEM_BIOASSAY: Dose response biochemical high throughput screening assay for inhibitors of the p97 ATPase. (Class of assay: confirmatory) [Related pubchem assays: 1481, 1517 ]
Drug: hexachlorophene
Target: Heat shock cognate 71 kDa protein (Unclassified)
Gene: HSPA8
UniProt: P11142 (HSP7C_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.56
Assay: PUBCHEM_BIOASSAY: High Throughput Screening Assay for Hsc70 Inhibitors. (Class of assay: confirmatory)
Drug: hexachlorophene
Target: Heat shock 70 kDa protein 1A (Unclassified)
Gene: HSPA1A
UniProt: P0DMV8 (HS71A_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.72
Drug: hexachlorophene
Target: M1-family alanyl aminopeptidase (Enzyme)
UniProt: Q8IEK1 (Q8IEK1_PLAF7)
Organism: Plasmodium falciparum (isolate 3D7)
Activity: IC50 = 4.24
Assay: Active
Drug: hexachlorophene
Target: Cytoplasmic zinc-finger protein (Unclassified)
Gene: pos-1
UniProt: G5EF15 (G5EF15_CAEEL)
Organism: Caenorhabditis elegans
Activity: EC50 = 4.34
Assay: Inconclusive
Drug: hexachlorophene
Target: Envelope glycoprotein gp160 (Viral envelope protein)
Gene: env
UniProt: Q75760 (Q75760_9HIV1)
Organism: Human immunodeficiency virus 1
Activity: IC50 = 5.14
Assay: Active
Drug: hexachlorophene
Target: Macrophage migration inhibitory factor (Unclassified)
Gene: MIF
UniProt: P14174 (MIF_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.26
Assay: Inhibition of recombinant human MIF tautomerization expressed in Escherichia coli BL21/DE3 using HPP as substrate preincubated for 15 mins followed by substrate addition measured for 3 mins
Drug: hexachlorophene
Target: N-acyl-phosphatidylethanolamine-hydrolyzing phospholipase D (Unclassified)
Gene: NAPEPLD
UniProt: Q6IQ20 (NAPEP_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.01
Action type: INHIBITOR
Drug: hexachlorophene
Target: 78 kDa glucose-regulated protein (Unclassified)
Gene: HSPA5
UniProt: P11021 (GRP78_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.04
Assay: Inhibition of GRP78 (26 to 636 residues) (unknown origin) expressed in Escherichia coli BL21 DE3 cells pre-incubated for 10 mins before FITC-NRLLLTG fluorescent peptide addition in presence of 100 uM ADP followed by further incubation for 2 hrs by fluorescence polarization assay
Drug: hexafluronium
Target: Acetylcholinesterase (Enzyme)
Gene: ACHE
UniProt: P22303 (ACES_HUMAN)
Organism: Homo sapiens
Action type: INHIBITOR
Assay: Mechanism of Action; CHEMBL220; SINGLE PROTEIN
Drug: hexafluronium
Target: Acetylcholinesterase (Enzyme)
Gene: ache
UniProt: O42275 (ACES_ELEEL)
Organism: Electrophorus electricus
Activity: Ki = 5.89
Assay: Reversible mixed-type inhibition of electric eel acetylcholinesterase using acetylcholine bromide as substrate assessed as free enzyme-inhibitor complex by Lineweaver-Burk plot analysis
Drug: hexafluronium
Target: Butyrylcholinesterase (Enzyme)
Gene: BCHE
UniProt: Q9N1N9 (Q9N1N9_HORSE)
Organism: Equus caballus
Activity: Ki = 6.47
Assay: Reversible mixed-type inhibition of horse serum butyrylcholinesterase using acetylcholine bromide as substrate assessed as free enzyme-inhibitor complex by Lineweaver-Burk plot analysis
Drug: hexamethonium
Target: Neuronal acetylcholine receptor; alpha4/beta2 (Ion channel)
Gene: Chrna4|Chrnb2
UniProt: P09483|P12390 (ACHA4_RAT|ACHB2_RAT)
Organism: Rattus norvegicus
Activity: Ki = 4.66
Assay: Binding affinity for nicotinic acetylcholine receptor alpha4-beta2 was evaluated by its ability to inhibit [3H]NIC binding to rat brain membranes
Drug: hexamethonium
Target: Neuronal acetylcholine receptor; alpha4/beta2 (Ion channel)
Gene: CHRNB2|CHRNA4
UniProt: P17787|P43681 (ACHB2_HUMAN|ACHA4_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.54
Assay: GRAC: human AChR-alpha4-beta2 channel blocker
Drug: hexamethonium
Target: Neuronal acetylcholine receptor; alpha4/beta4 (Ion channel)
Gene: CHRNB4|CHRNA4
UniProt: P30926|P43681 (ACHB4_HUMAN|ACHA4_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.04
Assay: GRAC: human AChR-alpha4-beta4 channel blocker
Drug: hexamethonium
Target: Acetylcholine receptor (Ion channel)
Gene: CHRNA1|CHRNB1|CHRNG|chrnd
UniProt: P02710|P02712|P02714|P02718 (ACHA_TORCA|ACHB_TORCA|ACHG_TORCA|ACHD_TORCA)
Organism: Torpedo californica
Activity: Kd = 5.74
Assay: Compound was evaluated for the binding constant for association with nicotinic acetylcholine receptor (nAChR)
Drug: hexamethonium
Target: Neuronal acetylcholine receptor subunit alpha-4 (Ion channel)
Gene: CHRNA4
UniProt: P43681 (ACHA4_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.17
Action type: BLOCKER
Drug: hexamethonium
Target: Neuronal acetylcholine receptor subunit alpha-6 (Ion channel)
Gene: CHRNA6
UniProt: Q15825 (ACHA6_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.04
Action type: BLOCKER
Drug: hexestrol
Target: Estrogen receptor (Nuclear hormone receptor)
Gene: ESR1
UniProt: P03372 (ESR1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 10.3
Action type: ANTAGONIST
Drug: hexobarbital
Target: GABA-A receptor alpha-2/beta-3/gamma-2 (Ion channel)
Gene: GABRG2|GABRB3|GABRA2
UniProt: P18507|P28472|P47869 (GBRG2_HUMAN|GBRB3_HUMAN|GBRA2_HUMAN)
Organism: Homo sapiens
Drug: hexobarbital
Target: GABA-A receptor alpha-3/beta-3/gamma-2 (Ion channel)
Gene: GABRG2|GABRB3|GABRA3
UniProt: P18507|P28472|P34903 (GBRG2_HUMAN|GBRB3_HUMAN|GBRA3_HUMAN)
Organism: Homo sapiens
Drug: hexobarbital
Target: GABA-A receptor alpha-5/beta-3/gamma-2 (Ion channel)
Gene: GABRG2|GABRB3|GABRA5
UniProt: P18507|P28472|P31644 (GBRG2_HUMAN|GBRB3_HUMAN|GBRA5_HUMAN)
Organism: Homo sapiens
Drug: hexobarbital
Target: GABA-A receptor alpha-1/beta-3/gamma-2 (Ion channel)
Gene: GABRA1|GABRG2|GABRB3
UniProt: P14867|P18507|P28472 (GBRA1_HUMAN|GBRG2_HUMAN|GBRB3_HUMAN)
Organism: Homo sapiens
Drug: hexobendine
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 = 5.85
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: hexocyclium
Target: Muscarinic acetylcholine receptor M1 (GPCR)
Gene: CHRM1
UniProt: P11229 (ACM1_HUMAN)
Organism: Homo sapiens
Action type: ANTAGONIST
Drug: hexocyclium
Target: Muscarinic acetylcholine receptor M2 (GPCR)
Gene: CHRM2
UniProt: P08172 (ACM2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.6
Action type: ANTAGONIST
Drug: hexocyclium
Target: Muscarinic acetylcholine receptor M3 (GPCR)
Gene: CHRM3
UniProt: P20309 (ACM3_HUMAN)
Organism: Homo sapiens
Activity: Ki = 8.9
Action type: ANTAGONIST
Drug: hexocyclium
Target: Muscarinic acetylcholine receptor M4 (GPCR)
Gene: CHRM4
UniProt: P08173 (ACM4_HUMAN)
Organism: Homo sapiens
Activity: Ki = 8.3
Action type: ANTAGONIST
Drug: hexocyclium
Target: Muscarinic acetylcholine receptor M5 (GPCR)
Gene: CHRM5
UniProt: P08912 (ACM5_HUMAN)
Organism: Homo sapiens
Activity: Ki = 8.4
Action type: ANTAGONIST
Drug: hexocyclium
Target: Muscarinic acetylcholine receptor M1 (GPCR)
Gene: Chrm1
UniProt: P08482 (ACM1_RAT)
Organism: Rattus norvegicus
Activity: Ki = 8.6
Action type: ANTAGONIST
Drug: hexylcaine
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 = 5.15
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: hexylresorcinol
Target: Arachidonate 5-lipoxygenase (Enzyme)
Gene: ALOX5
UniProt: P09917 (LOX5_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.55
Assay: Inhibition of 5-LO in human PMNL using arachidonic acid as substrate preincubated for 15 mins
Drug: hexylresorcinol
Target: Tyrosinase (Enzyme)
Gene: TYR
UniProt: P14679 (TYRO_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.25
Drug: hexylresorcinol
Target: Polyphenol oxidase 2 (Enzyme)
Gene: PPO2
UniProt: O42713 (PPO2_AGABI)
Organism: Agaricus bisporus
Activity: IC50 = 6.01
Assay: Inhibition of mushroom tyrosine kinase assessed as oxidation of 0.25 mM L-3,4-dihydroxyphenylalanine
Drug: histamine
Target: Histamine H1 receptor (GPCR)
Gene: HRH1
UniProt: P35367 (HRH1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 4.1
Action type: AGONIST
Assay: Displacement of [3H]mepyramine from human wild-type histamine H1 receptor expressed in COS-7 cells by liquid scintillation counting
Drug: histamine
Target: Histamine H2 receptor (GPCR)
Gene: HRH2
UniProt: P25021 (HRH2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 4.3
Assay: Displacement of [125I]iodoaminopotentidine from human histamine H2 receptor expressed in CHO cells
Drug: histamine
Target: Histamine H4 receptor (GPCR)
Gene: HRH4
UniProt: Q9H3N8 (HRH4_HUMAN)
Organism: Homo sapiens
Activity: Ki = 8.1
Assay: Displacement of [3H]-histamine from human histamine H4 receptor expressed in Sf9 cells coexpressing RGS19, Galphai2, Gbeta1gamma2
Drug: histamine
Target: Trace amine-associated receptor 1 (GPCR)
Gene: TAAR1
UniProt: Q96RJ0 (TAAR1_HUMAN)
Organism: Homo sapiens
Activity: Ki  5.508
Drug: histamine
Target: Histamine H3 receptor (GPCR)
Gene: HRH3
UniProt: Q9Y5N1 (HRH3_HUMAN)
Organism: Homo sapiens
Activity: Ki = 8.28
Assay: Displacement of [3H[N-alpha-methylhistamine form human recombinant histamine H3 receptor expressed in CHO cells after 1 hr by liquid scintillation counting
Drug: histamine
Target: Histamine H1 receptor (GPCR)
Gene: HRH1
UniProt: P31389 (HRH1_CAVPO)
Organism: Cavia porcellus
Activity: EC50 = 6.7
Drug: histamine
Target: Histamine H2 receptor (GPCR)
Gene: HRH2
UniProt: P47747 (HRH2_CAVPO)
Organism: Cavia porcellus
Activity: EC50 = 6
Assay: Agonist activity at guinea pig atrium histamine H2 receptor assessed as potentiation of histamine-induced response after 30 mins
Drug: histamine
Target: Histamine H1 receptor (GPCR)
Gene: Hrh1
UniProt: P31390 (HRH1_RAT)
Organism: Rattus norvegicus
Activity: EC50 = 5.35
Drug: histamine
Target: Histamine H3 receptor (GPCR)
Gene: Hrh3
UniProt: Q9QYN8 (HRH3_RAT)
Organism: Rattus norvegicus
Activity: Ki = 8.2
Drug: histamine
Target: Histamine H3 receptor (GPCR)
Gene: Hrh3
UniProt: P58406 (HRH3_MOUSE)
Organism: Mus musculus
Activity: Ki = 7.17
Assay: Displacement of 3-([1,1,1-3H]methyl)-2-(4-{[3-(1-pyrrolidinyl)propyl]oxy}phenyl)-4(3H)-quinazolinone from mouse histamine H3 receptor expressed in HEK293 cells
Drug: histamine
Target: Histamine H4 receptor (GPCR)
Gene: Hrh4
UniProt: Q91ZY2 (HRH4_MOUSE)
Organism: Mus musculus
Activity: Ki = 7.1
Assay: Binding affinity to mouse histamine H4 receptor expressed in human SK-N-MC cells by radioligand displacement assay
Drug: histamine
Target: Histamine H4 receptor (GPCR)
Gene: Hrh4
UniProt: Q91ZY1 (HRH4_RAT)
Organism: Rattus norvegicus
Activity: Ki = 7.2
Assay: Binding affinity to rat histamine H4 receptor expressed in human SK-N-MC cells by radioligand displacement assay
Drug: histamine
Target: Histamine H3 receptor (GPCR)
Gene: HRH3
UniProt: Q9JI35 (HRH3_CAVPO)
Organism: Cavia porcellus
Activity: Ki = 9.84
Drug: histamine
Target: Histamine H4 receptor (GPCR)
Gene: HRH4
UniProt: Q91ZY3 (Q91ZY3_CAVPO)
Organism: Cavia porcellus
Activity: Ki = 8.22
Drug: histidine
Target: Large neutral amino acids transporter small subunit 1 (Transporter)
Gene: SLC7A5
UniProt: Q01650 (LAT1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.7
Assay: Cis-inhibition of human LAT1 expressed in TREx HEK293 cells at 200 uM assessed as inhibition of [3H]-gabapentin uptake preincubated for 3 mins at 37 degC followed by washing with choline buffer and measured after 3 hrs by scintillation counting analysis relative to BCH
Drug: homatropine
Target: Muscarinic acetylcholine receptor M1 (GPCR)
Gene: CHRM1
UniProt: P11229 (ACM1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.495
Assay: DRUGMATRIX: Muscarinic M1 radioligand binding (ligand: [3H] N-Methylscopolamine)
Drug: homatropine
Target: Muscarinic acetylcholine receptor M2 (GPCR)
Gene: CHRM2
UniProt: P08172 (ACM2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.125
Assay: DRUGMATRIX: Muscarinic M2 radioligand binding (ligand: [3H] N-Methylscopolamine)
Drug: homatropine
Target: Muscarinic acetylcholine receptor M3 (GPCR)
Gene: CHRM3
UniProt: P20309 (ACM3_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.796
Assay: DRUGMATRIX: Muscarinic M3 radioligand binding (ligand: [3H] N-Methylscopolamine)
Drug: homatropine
Target: Muscarinic acetylcholine receptor M4 (GPCR)
Gene: CHRM4
UniProt: P08173 (ACM4_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.854
Assay: DRUGMATRIX: Muscarinic M4 radioligand binding (ligand: [3H] N-Methylscopolamine)
Drug: homatropine
Target: Muscarinic acetylcholine receptor M5 (GPCR)
Gene: CHRM5
UniProt: P08912 (ACM5_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.409
Assay: DRUGMATRIX: Muscarinic M5 radioligand binding (ligand: [3H] N-Methylscopolamine)
Drug: hycanthone
Target: DNA-(apurinic or apyrimidinic site) lyase (Enzyme)
Gene: APEX1
UniProt: P27695 (APEX1_HUMAN)
Organism: Homo sapiens
Activity: Kd = 8
Assay: Binding affinity to full length human APE1 expressed in Escherichia coli BL21/DE3
Drug: hydralazine
Target: Aldehyde oxidase (Enzyme)
Gene: AOX1
UniProt: Q06278 (AOXA_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.41
Assay: Inhibition of aldehyde oxidase in human liver cytosolic fraction using methyl-nicotinamide substrate incubated for 120 mins by HPLC analysis
Drug: hydralazine
Target: Voltage-dependent L-type calcium channel subunit alpha-1C (Ion channel)
Gene: CACNA1C
UniProt: Q13936 (CAC1C_HUMAN)
Organism: Homo sapiens
Drug: hydralazine
Target: DNA (cytosine-5)-methyltransferase 1 (Enzyme)
Gene: DNMT1
UniProt: P26358 (DNMT1_HUMAN)
Organism: Homo sapiens
Drug: hydralazine
Target: DNA (cytosine-5)-methyltransferase 3A (Enzyme)
Gene: DNMT3A
UniProt: Q9Y6K1 (DNM3A_HUMAN)
Organism: Homo sapiens
Drug: hydralazine
Target: DNA (cytosine-5)-methyltransferase 3B (Enzyme)
Gene: DNMT3B
UniProt: Q9UBC3 (DNM3B_HUMAN)
Organism: Homo sapiens
Drug: hydralazine
Target: Myeloperoxidase (Enzyme)
Gene: MPO
UniProt: P05164 (PERM_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.05
Assay: Irreversible inhibition of MPO (unknown origin)
Drug: hydralazine
Target: Arachidonate 15-lipoxygenase (Enzyme)
Gene: ALOX15
UniProt: P12530 (LOX15_RABIT)
Organism: Oryctolagus cuniculus
Activity: IC50 = 5.438
Assay: DRUGMATRIX: Lipoxygenase 15-LO enzyme inhibition (substrate: Linoleic acid)
Drug: hydralazine
Target: Acetylcholinesterase (Enzyme)
Gene: ache
UniProt: O42275 (ACES_ELEEL)
Organism: Electrophorus electricus
Activity: Ki = 5.15
Assay: Inhibition of Electrophorus electricus (electric eel) acetylcholinesterase (AChE) assessed as inhibition of ATCh hydrolysis by Ellman method
Drug: hydralazine
Target: Cholinesterase (Enzyme)
Gene: BCHE
UniProt: P81908 (CHLE_HORSE)
Organism: Equus caballus
Activity: Ki = 5.72
Assay: Inhibition of Equus caballus (horse) serum butyrylcholinesterase (BChE) assessed as inhibition of BTCh hydrolysis by Ellman method
Drug: hydralazine
Target: Lactoperoxidase (Enzyme)
Gene: LPO
UniProt: P80025 (PERL_BOVIN)
Organism: Bos taurus
Activity: IC50 = 5.92
Assay: Inhibition of bovine milk LPO assessed as reduction in NaOSCN production in presence of H2O2/NaSCN after 5 mins
Drug: hydralazine
Target: Ryanodine receptor 2 (Ion channel)
Gene: Ryr2
UniProt: B0LPN4 (RYR2_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 7.152
Assay: sarcoplasmic reticulum diastolic Ca2+ leakage
Drug: hydralazine
Target: Ryanodine receptor 2 (Ion channel)
Gene: RYR2
UniProt: Q92736 (RYR2_HUMAN)
Organism: Homo sapiens
Action type: BLOCKER
Assay: Mechanism of Action
Drug: hydrochlorothiazide
Target: Carbonic anhydrase 2 (Enzyme)
Gene: CA2
UniProt: P00918 (CAH2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.9
Drug: hydrochlorothiazide
Target: Solute carrier family 12 member 3 (Transporter)
Gene: SLC12A3
UniProt: P55017 (S12A3_HUMAN)
Organism: Homo sapiens
Activity: A2 = 7.01
Action type: INHIBITOR
Drug: hydrochlorothiazide
Target: Carbonic anhydrase 1 (Enzyme)
Gene: CA1
UniProt: P00915 (CAH1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.48
Assay: Inhibition of human carbonic anhydrase 1 after 15 mins by CO2 hydrase assay at pH 7.5
Drug: hydrochlorothiazide
Target: Carbonic anhydrase 4 (Enzyme)
Gene: CA4
UniProt: P22748 (CAH4_HUMAN)
Organism: Homo sapiens
Drug: hydrochlorothiazide
Target: Calcium-activated potassium channel subunit alpha-1 (Ion channel)
Gene: KCNMA1
UniProt: Q12791 (KCMA1_HUMAN)
Organism: Homo sapiens
Drug: hydrochlorothiazide
Target: Astrosclerin-3 (Enzyme)
UniProt: A6YCJ1 (A6YCJ1_9METZ)
Organism: Astrosclera willeyana
Activity: Ki = 6.4
Assay: Inhibition of GST-tagged astrosclera willeyana Astrosclerin-3 expressed in Escherichia coli after 15 mins preincubation by stopped flow CO2 hydration assay
Drug: hydrochlorothiazide
Target: Delta carbonic anhydrase (Unclassified)
Gene: ca1
UniProt: Q5U9J1 (Q5U9J1_THAWE)
Organism: Thalassiosira weissflogii
Activity: Ki = 5.37
Assay: Inhibition of Thalassiosira weissflogii delta carbonic anhydrase preincubated for 15 mins by stopped flow CO2 hydration assay
Drug: hydrochlorothiazide
Target: Carbonic anhydrase (Enzyme)
UniProt: Q5TU56 (Q5TU56_ANOGA)
Organism: Anopheles gambiae
Activity: Ki = 7.5