AIM-Harvard/TrialPanorama-filtered huggingface dataset:
Drug: methazolamide
Target: Carbonic anhydrase 7 (Enzyme)
Gene: CA7
UniProt: P43166 (CAH7_HUMAN)
Organism: Homo sapiens
Activity: Ki = 8.68
Action type: INHIBITOR
Assay: Ki value against human carbonic anhydrase VII
Drug: methazolamide
Target: Carbonic anhydrase (Enzyme)
Gene: cynT
UniProt: O24855 (CYNT_HELPY)
Organism: Helicobacter pylori (strain ATCC 700392 / 26695)
Activity: Ki = 6.77
Assay: Inhibition of Helicobacter pylori recombinant CA
Drug: methazolamide
Target: Carbonic anhydrase 3 (Enzyme)
Gene: CA3
UniProt: P07451 (CAH3_HUMAN)
Organism: Homo sapiens
Activity: Ki = 8.96
Assay: Inhibition of human carbonic anhydrase 3
Drug: methazolamide
Target: Carbonic anhydrase 6 (Enzyme)
Gene: CA6
UniProt: P23280 (CAH6_HUMAN)
Organism: Homo sapiens
Activity: Ki = 8
Assay: Inhibition of full length human recombinant CA VI
Drug: methazolamide
Target: Carbonic anhydrase 14 (Enzyme)
Gene: CA14
UniProt: Q9ULX7 (CAH14_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.37
Assay: Inhibitory constant against human carbonic anhydrase XIV in CO2 hydrase assay
Drug: methazolamide
Target: Carbonic anhydrase 13 (Enzyme)
Gene: Ca13
UniProt: Q9D6N1 (CAH13_MOUSE)
Organism: Mus musculus
Activity: Ki = 7.72
Assay: Inhibitory activity against murine carbonic anhydrase XIII (mCA XIII) by using CO2 hydrase assay method
Drug: methazolamide
Target: Carbonic anhydrase 4 (Enzyme)
Gene: CA4
UniProt: Q95323 (CAH4_BOVIN)
Organism: Bos taurus
Activity: Ki = 7.44
Assay: Compound was evaluated for inhibition against bovine carbonic anhydrase IV
Drug: methazolamide
Target: Carbonic anhydrase (Enzyme)
UniProt: P40881 (CAH_METTE)
Organism: Methanosarcina thermophila
Activity: Ki = 6.85
Assay: Inhibitory activity against alpha carbonic anhydrase (Zn-Cam) from Methanosarcina thermophila
Drug: methazolamide
Target: Carbonic anhydrase (Enzyme)
UniProt: Q50565 (Q50565_METTH)
Organism: Methanothermobacter thermautotrophicus (strain ATCC 29096 / DSM 1053 / JCM 10044 / NBRC 100330 / Delta H)
Activity: Ki = 4.49
Assay: Inhibitory activity against beta carbonic anhydrase (Cab) from Methanobacterium thermoautotrophicum
Drug: methazolamide
Target: Carbonic anhydrase 13 (Enzyme)
Gene: CA13
UniProt: Q8N1Q1 (CAH13_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.72
Assay: Inhibition of human recombinant cytosolic carbonic anhydrase 13 preincubated for 15 mins by stopped-flow CO2 hydration assay
Drug: methazolamide
Target: Carbonic anhydrase 15 (Enzyme)
Gene: Ca15
UniProt: Q99N23 (CAH15_MOUSE)
Organism: Mus musculus
Activity: Ki = 7.19
Assay: Inhibition of mouse recombinant carbonic anhydrase 15 by stopped flow CO2 hydrase assay
Drug: methazolamide
Target: Carbonic anhydrase (Enzyme)
Gene: NCE103
UniProt: P53615 (CAN_YEAST)
Organism: Saccharomyces cerevisiae (strain ATCC 204508 / S288c)
Activity: Ki = 6.92
Assay: Inhibition of Saccharomyces cerevisiae recombinant CA expressed in Escherichia coli by stopped-flow CO2 hydrase assay
Drug: methazolamide
Target: Carbonic anhydrase (Enzyme)
Gene: NCE103
UniProt: Q5AJ71 (CAN_CANAL)
Organism: Candida albicans (strain SC5314 / ATCC MYA-2876)
Activity: Ki = 7.85
Assay: Inhibition of Helicobacter pylori beta-carbonic anhydrase by stopped-flow CO2 hydration assay
Drug: methazolamide
Target: Probable transmembrane carbonic anhydrase (Carbonate dehydratase) (Carbonic dehydratase); Transmembrane carbonic anhydrase (Enzyme)
UniProt: P96878 (P96878_MYCTU)
Organism: Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Activity: Ki = 6.25
Assay: Inhibition of Mycobacterium tuberculosis recombinant carbonic anhydrase Rv3273 by stopped flow CO2 hydration assay
Drug: methazolamide
Target: Carbonic anhydrase (Enzyme)
UniProt: Q6FTL6 (Q6FTL6_CANGA)
Organism: Candida glabrata (strain ATCC 2001 / CBS 138 / JCM 3761 / NBRC 0622 / NRRL Y-65)
Activity: Ki = 6.93
Assay: Inhibition of recombinant full length Candida glabrata NCE103 expressed in Escherichia coli BL21 preincubated for 15 mins by stopped-flow CO2 hydrase assay
Drug: methazolamide
Target: Alpha carbonic anhydrase (Enzyme)
Gene: CA
UniProt: B5SU02 (B5SU02_9CNID)
Organism: Stylophora pistillata
Activity: Ki = 7.67
Assay: Inhibition of cloned Stylophora pistillata alpha-CA expressed in human HEK293 cells by stopped-flow CO2 assay
Drug: methazolamide
Target: Carbonic anhydrase (Enzyme)
Gene: CA2
UniProt: C0IX24 (C0IX24_9CNID)
Organism: Stylophora pistillata
Activity: Ki = 6.88
Assay: Inhibition of Stylophora pistillata carbonic anhydrase 2 by stopped-flow CO2 hydration assay
Drug: methazolamide
Target: Carbonic anhydrase 2 (Enzyme)
Gene: CAN2
UniProt: Q3I4V7 (Q3I4V7_CRYNV)
Organism: Cryptococcus neoformans var. grubii
Activity: Ki = 7.2
Assay: Inhibition of Cryptococcus neoformans Can2 preincubated for 15 mins measured for 10 to 100 sec by stopped-flow method
Drug: methazolamide
Target: Astrosclerin-3 (Enzyme)
UniProt: A6YCJ1 (A6YCJ1_9METZ)
Organism: Astrosclera willeyana
Activity: Ki = 6.49
Assay: Inhibition of GST-tagged astrosclera willeyana Astrosclerin-3 expressed in Escherichia coli after 15 mins preincubation by stopped flow CO2 hydration assay
Drug: methazolamide
Target: Beta-carbonic anhydrase 1 (Enzyme)
Gene: mtcA1
UniProt: P9WPJ7 (MTCA1_MYCTU)
Organism: Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Activity: Ki = 6.11
Assay: Inhibition of Mycobacterium tuberculosis recombinant carbonic anhydrase 1 encoded by Rv1284 by stopped flow CO2 hydration assay
Drug: methazolamide
Target: Delta carbonic anhydrase (Unclassified)
Gene: ca1
UniProt: Q5U9J1 (Q5U9J1_THAWE)
Organism: Thalassiosira weissflogii
Activity: Ki = 6.77
Assay: Inhibition of Thalassiosira weissflogii delta carbonic anhydrase preincubated for 15 mins by stopped flow CO2 hydration assay
Drug: methazolamide
Target: Carbonic anhydrase 2 (Enzyme)
Gene: mtcA2
UniProt: P9WPJ9 (MTCA2_MYCTU)
Organism: Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Activity: Ki = 6.18
Assay: Inhibition of full length Mycobacterium tuberculosis H37Rv recombinant carbonic anhydrase 2 encoded by RV3588c by stopped flow CO2 hydration assay
Drug: methazolamide
Target: Carbonic anhydrase (Enzyme)
Gene: CA12|CA1|CA2|CA3|CA4|CA6|CA5A|CA7|CA9|CA13|CA14|CA5B
UniProt: O43570|P00915|P00918|P07451|P22748|P23280|P35218|P43166|Q16790|Q8N1Q1|Q9ULX7|Q9Y2D0 (CAH12_HUMAN|CAH1_HUMAN|CAH2_HUMAN|CAH3_HUMAN|CAH4_HUMAN|CAH6_HUMAN|CAH5A_HUMAN|CAH7_HUMAN|CAH9_HUMAN|CAH13_HUMAN|CAH14_HUMAN|CAH5B_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.7
Assay: Evaluated for its activity against carbonic anhydrase (CA) in anesthetized rabbits
Drug: methazolamide
Target: Carbonic anhydrase V (Enzyme)
Gene: CA5A|CA5B
UniProt: P35218|Q9Y2D0 (CAH5A_HUMAN|CAH5B_HUMAN)
Organism: Homo sapiens
Activity: Ki = 8.6
Assay: Mean inhibitory constant towards human carbonic anhydrase V determined by spectrophotometric dansylamide binding assay
Drug: methazolamide
Target: Carbonic anhydrase (Enzyme)
UniProt: Q5TU56 (Q5TU56_ANOGA)
Organism: Anopheles gambiae
Activity: Ki = 6.74
Drug: methazolamide
Target: Carbonic anhydrase, alpha family (Unclassified)
UniProt: Q31FD6 (Q31FD6_HYDCU)
Organism: Hydrogenovibrio crunogenus (strain XCL-2)
Activity: Ki = 7.58
Assay: Inhibition of recombinant Thiomicrospira crunogena XCL-2 carbonic anhydrase by stopped flow CO2 hydrase assay
Drug: methazolamide
Target: Carbonate dehydratase (Enzyme)
UniProt: B2V8E3 (B2V8E3_SULSY)
Organism: Sulfurihydrogenibium sp. (strain YO3AOP1)
Activity: Ki = 8.09
Assay: Inhibition of recombinant Sulfurihydrogenibium yellowstonense YO3AOP1 carbonic anhydrase by stopped flow CO2 hydrase assay
Drug: methdilazine
Target: Histamine H1 receptor (GPCR)
Gene: HRH1
UniProt: P35367 (HRH1_HUMAN)
Organism: Homo sapiens
Action type: ANTAGONIST
Assay: Mechanism of Action; CHEMBL231; SINGLE PROTEIN
Drug: meticillin
Target: Beta-lactam-inducible penicillin-binding protein (Enzyme)
Gene: pbp
UniProt: P07944 (PBP_STAAU)
Organism: Staphylococcus aureus
Drug: meticillin
Target: NH(3)-dependent NAD(+) synthetase (Enzyme)
Gene: nadE
UniProt: P18843 (NADE_ECOLI)
Organism: Escherichia coli (strain K12)
Activity: IC50 = 5.5
Drug: meticillin
Target: Penicillin-binding protein (Enzyme)
Gene: pbp4|mecA|pbpA|PBP2|pbpF
UniProt: P72355|Q53707|Q53725|Q53729|Q9XDB3 (P72355_STAAU|Q53707_STAAU|Q53725_STAAU|Q53729_STAAU|Q9XDB3_STAAU)
Organism: Staphylococcus aureus
Action type: INHIBITOR
Assay: Mechanism of Action; CHEMBL2363021; PROTEIN FAMILY
Drug: thiamazole
Target: Thyroid peroxidase (Enzyme)
Gene: TPO
UniProt: P07202 (PERT_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.57
Action type: INHIBITOR
Drug: thiamazole
Target: Lactoperoxidase (Enzyme)
Gene: LPO
UniProt: P80025 (PERL_BOVIN)
Organism: Bos taurus
Activity: IC50 = 5.08
Assay: Inhibition of Bos taurus (bovine) milk lactoperoxidase-catalyzed iodination of L-tyrosine substrate by reverse phase HPLC analysis
Drug: thiamazole
Target: Lactoperoxidase (Enzyme)
Gene: LPO
UniProt: P22079 (PERL_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.93
Assay: Inhibition of lactoperoxidase-catalyzed iodination of L-tyrosine assessed as 3,5-diiodo-L-tyrosine formation by HPLC
Drug: thiamazole
Target: Dopamine beta-hydroxylase (Enzyme)
Gene: DBH
UniProt: P15101 (DOPO_BOVIN)
Organism: Bos taurus
Activity: Ki = 4.35
Assay: Compound was evaluated for the inhibition of Dopamine beta hydroxylase at pH 4.5
Drug: methocarbamol
Target: Carbonic anhydrase 1 (Enzyme)
Gene: CA1
UniProt: P00915 (CAH1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.6
Action type: INHIBITOR
Drug: methohexital
Target: Glycine receptor subunit alpha-1 (Ion channel)
Gene: GLRA1
UniProt: P23415 (GLRA1_HUMAN)
Organism: Homo sapiens
Drug: methohexital
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
Action type: POSITIVE ALLOSTERIC MODULATOR
Drug: methohexital
Target: Neuronal acetylcholine receptor; alpha2/beta2 (Ion channel)
Gene: CHRNB2|CHRNA2
UniProt: P17787|Q15822 (ACHB2_HUMAN|ACHA2_HUMAN)
Organism: Homo sapiens
Drug: methotrexate
Target: Multidrug resistance protein 1 (Transporter)
Gene: ABCB1
UniProt: P08183 (MDR1_HUMAN)
Organism: Homo sapiens
Drug: methotrexate
Target: Canalicular multispecific organic anion transporter 1 (Transporter)
Gene: ABCC2
UniProt: Q92887 (MRP2_HUMAN)
Organism: Homo sapiens
Drug: methotrexate
Target: Multidrug resistance-associated protein 1 (Transporter)
Gene: ABCC1
UniProt: P33527 (MRP1_HUMAN)
Organism: Homo sapiens
Drug: methotrexate
Target: ATP-binding cassette sub-family G member 2 (Transporter)
Gene: ABCG2
UniProt: Q9UNQ0 (ABCG2_HUMAN)
Organism: Homo sapiens
Drug: methotrexate
Target: Thymidylate synthase (Enzyme)
Gene: TYMS
UniProt: P04818 (TYSY_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.22
Assay: Inhibition of human TS by spectrophotometric analysis
Drug: methotrexate
Target: Multidrug resistance-associated protein 5 (Transporter)
Gene: ABCC5
UniProt: O15440 (MRP5_HUMAN)
Organism: Homo sapiens
Drug: methotrexate
Target: Folylpolyglutamate synthase, mitochondrial (Enzyme)
Gene: FPGS
UniProt: Q05932 (FOLC_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.49
Assay: Compound was evaluated for the inhibitory activity against Folyl-polyglutamate synthase from CCRF-CEM human leukemia cells.
Drug: methotrexate
Target: Multidrug resistance-associated protein 4 (Transporter)
Gene: ABCC4
UniProt: O15439 (MRP4_HUMAN)
Organism: Homo sapiens
Drug: methotrexate
Target: Bifunctional dihydrofolate reductase-thymidylate synthase (Enzyme)
UniProt: Q07422 (DRTS_TOXGO)
Organism: Toxoplasma gondii
Activity: IC50 = 8.85
Assay: Inhibitory activity against Dihydrofolate reductase from Toxoplasma gondii was evaluated using 90 uM dihydrofolic acid as substrate
Drug: methotrexate
Target: Dihydrofolate reductase (Enzyme)
UniProt: P16184 (DYR_PNECA)
Organism: Pneumocystis carinii
Activity: IC50 = 9
Assay: Inhibition against Dihydrofolate reductase in Pneumocystis carinii
Drug: methotrexate
Target: Folate receptor beta (Membrane receptor)
Gene: FOLR2
UniProt: P14207 (FOLR2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.97
Drug: methotrexate
Target: Bifunctional dihydrofolate reductase-thymidylate synthase (Enzyme)
UniProt: P13922 (DRTS_PLAFK)
Organism: Plasmodium falciparum
Activity: IC50 = 7.08
Assay: Inhibition of Plasmodium falciparum DHFR
Drug: methotrexate
Target: Proton-coupled folate transporter (Transporter)
Gene: SLC46A1
UniProt: Q96NT5 (PCFT_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.92
Drug: methotrexate
Target: Dihydrofolate reductase (Enzyme)
Gene: Dhfr
UniProt: P00375 (DYR_MOUSE)
Organism: Mus musculus
Activity: Ki = 5.41
Assay: Binding affinity towards Dihydrofolate reductase derived from L1210 cells using [3H]- MTX as the radioligand
Drug: methotrexate
Target: Dihydrofolate reductase (Enzyme)
Gene: Dhfr
UniProt: Q920D2 (DYR_RAT)
Organism: Rattus norvegicus
Activity: Ki = 10.14
Assay: Inhibition of rat liver DHFR by enzyme kinetics assay in presence of variable DHFA level
Drug: methotrexate
Target: Dihydrofolate reductase (Enzyme)
Gene: folA
UniProt: P00381 (DYR_LACCA)
Organism: Lactobacillus casei
Activity: IC50 = 8.89
Assay: Compound was tested for the inhibition of dihydrofolate reductase in Bovine liver
Drug: methotrexate
Target: Thymidylate synthase (Enzyme)
Gene: Tyms
UniProt: P07607 (TYSY_MOUSE)
Organism: Mus musculus
Activity: Ki = 4.35
Assay: Inhibitory activity against thymidylate synthase in murine tumor cells
Drug: methotrexate
Target: Bifunctional dihydrofolate reductase-thymidylate synthase (Enzyme)
UniProt: P07382 (DRTS_LEIMA)
Organism: Leishmania major
Activity: Ki = 9.89
Assay: Inhibition of dihydrofolate reductase (DHFR) from Leishmania major
Drug: methotrexate
Target: Dihydrofolate reductase (Enzyme)
Gene: DHFR
UniProt: P00378 (DYR_CHICK)
Organism: Gallus gallus
Activity: IC50 = 7.72
Assay: Compound was evaluated for the inhibition of dihydrofolate reductase (DHFR) derived from Chicken liver
Drug: methotrexate
Target: Thymidylate synthase (Enzyme)
Gene: thyA
UniProt: P00469 (TYSY_LACCA)
Organism: Lactobacillus casei
Activity: IC50 = 4.4
Assay: Ability to inhibit Lactobacillus casei thymidylate synthase in vitro was determined
Drug: methotrexate
Target: Dihydrofolate reductase (Enzyme)
Gene: dfrA17
UniProt: B0BL08 (B0BL08_ECOLX)
Organism: Escherichia coli
Activity: Ki = 10.68
Assay: Binding affinity against Dihydrofolate reductase of Escherichia coli
Drug: methotrexate
Target: Thymidylate synthase (Enzyme)
Gene: thyA
UniProt: C3SWJ7 (C3SWJ7_ECOLX)
Organism: Escherichia coli
Activity: IC50 = 5.74
Assay: Inhibitory activity against Escherichia coli thymidylate synthase
Drug: methotrexate
Target: Pteridine reductase 1 (Enzyme)
Gene: PTR1
UniProt: Q01782 (PTR1_LEIMA)
Organism: Leishmania major
Activity: Ki = 7.41
Assay: Inhibition of Leishmania major recombinant PTR1
Drug: methotrexate
Target: Dihydrofolate reductase (Enzyme)
Gene: folA
UniProt: P0A017 (DYR_STAAU)
Organism: Staphylococcus aureus
Activity: Ki = 9
Assay: Inhibition of Staphylococcus aureus DHFR
Drug: methotrexate
Target: Dihydrofolate reductase (Enzyme)
Gene: folA
UniProt: P9WNX1 (DYR_MYCTU)
Organism: Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Activity: IC50 = 8.08
Assay: Inhibition of recombinant Mycobacterium tuberculosis DHFR using 45 uM DHF as substrate by spectrophotometry
Drug: methotrexate
Target: Dihydrofolate reductase (Enzyme)
Gene: dfrA
UniProt: Q81R22 (Q81R22_BACAN)
Organism: Bacillus anthracis
Activity: IC50 = 7.91
Assay: Inhibition of Bacillus anthracis DHFR
Drug: methotrexate
Target: Dihydrofolate reductase (Enzyme)
Gene: DHFR
UniProt: P00376 (DYR_BOVIN)
Organism: Bos taurus
Activity: IC50 = 8.77
Assay: In vitro inhibitory concentration against beef liver dihydrofolate reductase
Drug: methotrexate
Target: Dihydrofolate reductase (Enzyme)
Gene: folA
UniProt: P00380 (DYR_ENTFC)
Organism: Enterococcus faecium
Activity: IC50 = 8.85
Assay: Inhibition of Streptococcus faecium dihydrofolate reductase using dihydrofolate as substrate
Drug: methotrexate
Target: Folate transporter 1 (Transporter)
Gene: SLC19A1
UniProt: P41440 (S19A1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.46
Assay: Affinity towards RFC measured by the inhibition of [3H]MTX uptake
Drug: methotrexate
Target: Folate receptor alpha (Membrane receptor)
Gene: FOLR1
UniProt: P15328 (FOLR1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.94
Drug: methotrexate
Target: High mobility group protein B1 (Nuclear other)
Gene: HMGB1
UniProt: P09429 (HMGB1_HUMAN)
Organism: Homo sapiens
Activity: Kd = 7.62
Assay: Binding affinity to N-terminal 6His-tagged HMGB1 Bj region (88 to 181 residues) (unknown origin) expressed in Escherichia coli JM109 by SPR assay
Drug: methotrexate
Target: Dihydrofolate reductase (Enzyme)
Gene: DHFR
UniProt: P00374 (DYR_HUMAN)
Organism: Homo sapiens
Activity: Ki = 8.92
Action type: INHIBITOR
Drug: levomepromazine
Target: Histamine H1 receptor (GPCR)
Gene: HRH1
UniProt: P35367 (HRH1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 9.237
Drug: levomepromazine
Target: Pleiotropic ABC efflux transporter of multiple drugs (Transporter)
Gene: PDR5
UniProt: P33302 (PDR5_YEAST)
Organism: Saccharomyces cerevisiae (strain ATCC 204508 / S288c)
Activity: IC50 = 5.02
Assay: Inhibition of Pdr5p-mediated rhodamine 6G transport in Saccharomyces cerevisiae MKPDR5h plasma membrane by spectrofluorometric assay
Drug: methoxamine
Target: Alpha-1A adrenergic receptor (GPCR)
Gene: ADRA1A
UniProt: P35348 (ADA1A_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 5.1
Action type: AGONIST
Drug: methoxamine
Target: Alpha-1D adrenergic receptor (GPCR)
Gene: ADRA1D
UniProt: P25100 (ADA1D_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 4.9
Action type: AGONIST
Drug: methoxamine
Target: Alpha-1B adrenergic receptor (GPCR)
Gene: ADRA1B
UniProt: P35368 (ADA1B_HUMAN)
Organism: Homo sapiens
Activity: Ki = 4
Action type: AGONIST
Drug: methoxamine
Target: Alpha-1D adrenergic receptor (GPCR)
Gene: Adra1d
UniProt: P23944 (ADA1D_RAT)
Organism: Rattus norvegicus
Activity: Ki = 4.5
Action type: AGONIST
Drug: methoxamine
Target: Adrenergic receptor alpha-2 (GPCR)
Gene: Adra2b|Adra2c|Adra2a
UniProt: P19328|P22086|P22909 (ADA2B_RAT|ADA2C_RAT|ADA2A_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 5.44
Assay: 50% inhibition of specific [3H]clonidine binding (0.4 nM) to Alpha-2 adrenergic receptors in rat isolated brain membranes
Drug: methoxyflurane
Target: Glycine receptor subunit alpha-1 (Ion channel)
Gene: GLRA1
UniProt: P23415 (GLRA1_HUMAN)
Organism: Homo sapiens
Action type: AGONIST
Drug: methoxyflurane
Target: GABA-A receptor; anion channel (Ion channel)
Gene: GABRP|GABRD|GABRA1|GABRB1|GABRG2|GABRB3|GABRA5|GABRA3|GABRA2|GABRB2|GABRA4|GABRE|GABRA6|GABRG1|GABRG3|GABRQ
UniProt: O00591|O14764|P14867|P18505|P18507|P28472|P31644|P34903|P47869|P47870|P48169|P78334|Q16445|Q8N1C3|Q99928|Q9UN88 (GBRP_HUMAN|GBRD_HUMAN|GBRA1_HUMAN|GBRB1_HUMAN|GBRG2_HUMAN|GBRB3_HUMAN|GBRA5_HUMAN|GBRA3_HUMAN|GBRA2_HUMAN|GBRB2_HUMAN|GBRA4_HUMAN|GBRE_HUMAN|GBRA6_HUMAN|GBRG1_HUMAN|GBRG3_HUMAN|GBRT_HUMAN)
Organism: Homo sapiens
Action type: POSITIVE MODULATOR
Assay: Mechanism of Action; CHEMBL2093872; PROTEIN COMPLEX GROUP
Drug: methscopolamine
Target: Muscarinic acetylcholine receptor M1 (GPCR)
Gene: CHRM1
UniProt: P11229 (ACM1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 9.9
Action type: ANTAGONIST
Drug: methscopolamine
Target: Muscarinic acetylcholine receptor M2 (GPCR)
Gene: CHRM2
UniProt: P08172 (ACM2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 9.82
Assay: DRUGMATRIX: Muscarinic M2 radioligand binding (ligand: [3H] N-Methylscopolamine)
Drug: methscopolamine
Target: Muscarinic acetylcholine receptor M3 (GPCR)
Gene: CHRM3
UniProt: P20309 (ACM3_HUMAN)
Organism: Homo sapiens
Activity: Ki = 10.4
Action type: ANTAGONIST
Drug: methscopolamine
Target: Muscarinic acetylcholine receptor M4 (GPCR)
Gene: CHRM4
UniProt: P08173 (ACM4_HUMAN)
Organism: Homo sapiens
Activity: Ki = 10.01
Assay: DRUGMATRIX: Muscarinic M4 radioligand binding (ligand: [3H] N-Methylscopolamine)
Drug: methscopolamine
Target: Muscarinic acetylcholine receptor M5 (GPCR)
Gene: CHRM5
UniProt: P08912 (ACM5_HUMAN)
Organism: Homo sapiens
Activity: Ki = 9.68
Assay: Displacement of [3H]N-methylscopolamine from human muscarinic M5 receptor expressed in CHO cells after 120 mins by scintillation counting
Drug: methscopolamine
Target: Muscarinic acetylcholine receptor M3 (GPCR)
Gene: Chrm3
UniProt: P08483 (ACM3_RAT)
Organism: Rattus norvegicus
Activity: EC50 = 10.3
Assay: Stimulation of disulfide bond cross-linking formation in rat M3'(3C)-Xa receptor A91C/T549C mutant expressed in african green monkey COS7 cells by scanning densitometry
Drug: methsuximide
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: methylclothiazide
Target: Solute carrier family 12 member 3 (Transporter)
Gene: SLC12A3
UniProt: P55017 (S12A3_HUMAN)
Organism: Homo sapiens
Action type: INHIBITOR
Assay: Mechanism of Action; CHEMBL1876; SINGLE PROTEIN
Drug: metildigoxin
Target: Sodium/potassium-transporting ATPase subunit alpha-1 (Transporter)
Gene: ATP1A1
UniProt: P05023 (AT1A1_HUMAN)
Organism: Homo sapiens
Drug: methyldopa
Target: Alpha-2A adrenergic receptor (GPCR)
Gene: ADRA2A
UniProt: P08913 (ADA2A_HUMAN)
Organism: Homo sapiens
Action type: AGONIST
Drug: methyldopa
Target: Aromatic-L-amino-acid decarboxylase (Enzyme)
Gene: DDC
UniProt: P20711 (DDC_HUMAN)
Organism: Homo sapiens
Drug: methyldopa
Target: Epidermal growth factor receptor (Kinase)
Gene: EGFR
UniProt: P00533 (EGFR_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.282
Assay: DRUGMATRIX: Protein Tyrosine Kinase, EGF Receptor enzyme inhibition (substrate: Poly(Glu:Tyr))
Drug: methyldopa
Target: Tyrosine-protein kinase Fyn (Kinase)
Gene: FYN
UniProt: P06241 (FYN_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.286
Assay: DRUGMATRIX: Protein Tyrosine Kinase, Fyn enzyme inhibition (substrate: Poly(Glu:Tyr))
Drug: methyldopa
Target: Arachidonate 15-lipoxygenase (Enzyme)
Gene: ALOX15
UniProt: P12530 (LOX15_RABIT)
Organism: Oryctolagus cuniculus
Activity: IC50 = 5.672
Assay: DRUGMATRIX: Lipoxygenase 15-LO enzyme inhibition (substrate: Linoleic acid)
Drug: methyldopa
Target: Lysine-specific demethylase 4E (Enzyme)
Gene: KDM4E
UniProt: B2RXH2 (KDM4E_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.52
Drug: methylthioninium chloride
Target: Glutathione reductase, mitochondrial (Enzyme)
Gene: GSR
UniProt: P00390 (GSHR_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.8
Assay: Inhibitory concentration against human glutathione reductase
Drug: methylthioninium chloride
Target: Amine oxidase [flavin-containing] B (Enzyme)
Gene: MAOB
UniProt: P27338 (AOFB_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.36
Drug: methylthioninium chloride
Target: Amine oxidase [flavin-containing] A (Enzyme)
Gene: MAOA
UniProt: P21397 (AOFA_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.15
Drug: methylthioninium chloride
Target: Thioredoxin reductase 1, cytoplasmic (Enzyme)
Gene: TXNRD1
UniProt: Q16881 (TRXR1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.52
Assay: Inhibition of human recombinant TrxR1 at pH 7.4
Drug: methylthioninium chloride
Target: Glutathione reductase (Enzyme)
Gene: GR3
UniProt: O15770 (GSHR_PLAF7)
Organism: Plasmodium falciparum (isolate 3D7)
Activity: IC50 = 5.19
Assay: Inhibitory concentration against Plasmodium falciparum glutathione reductase
Drug: methylthioninium chloride
Target: Cruzipain (Enzyme)
UniProt: P25779 (CYSP_TRYCR)
Organism: Trypanosoma cruzi
Activity: IC50 = 4.26
Assay: Inhibition of Trypanosoma cruzi cruzaine preincubated for 5 mins before substrate addition by fluorescence assay in absence of Triton X-100
Drug: methylthioninium chloride
Target: Microtubule-associated protein tau (Structural)
Gene: MAPT
UniProt: P10636 (TAU_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.72
Assay: Inhibition of human recombinant brain tau protein (412 amino acid residues) filament assembly expressed in Escherichia coli BL21(DE3) by electron microscopic analysis in presence of heparin
Drug: methylthioninium chloride
Target: Amyloid beta A4 protein (Unclassified)
Gene: APP
UniProt: P05067 (A4_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.26