AIM-Harvard/TrialPanorama-filtered huggingface dataset:
Drug: levobupivacaine
Target: Potassium voltage-gated channel subfamily H member 2 (Ion channel)
Gene: KCNH2
UniProt: Q12809 (KCNH2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.89
Assay: Inhibition of wild-type human ERG channel expressed in HEK293 cells assessed as blockade of potassium tail current by whole-cell patch clamp technique
Drug: levobupivacaine
Target: Sodium channel protein type 1 subunit alpha (Ion channel)
Gene: SCN1A
UniProt: P35498 (SCN1A_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.79
Drug: levobupivacaine
Target: Sodium channel protein type 4 subunit alpha (Ion channel)
Gene: SCN4A
UniProt: P35499 (SCN4A_HUMAN)
Organism: Homo sapiens
Action type: BLOCKER
Drug: levobupivacaine
Target: Prostaglandin E2 receptor EP1 subtype (GPCR)
Gene: PTGER1
UniProt: P34995 (PE2R1_HUMAN)
Organism: Homo sapiens
Drug: levobupivacaine
Target: Cytochrome P450 2D6 (Enzyme)
Gene: CYP2D6
UniProt: P10635 (CP2D6_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.707
Assay: DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)
Drug: levobupivacaine
Target: 5-hydroxytryptamine receptor 3A (Ion channel)
Gene: HTR3A
UniProt: P46098 (5HT3A_HUMAN)
Organism: Homo sapiens
Drug: levobupivacaine
Target: Potassium voltage-gated channel subfamily D member 3 (Ion channel)
Gene: KCND3
UniProt: Q9UK17 (KCND3_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.5
Drug: levobupivacaine
Target: Potassium voltage-gated channel subfamily A member 5 (Ion channel)
Gene: KCNA5
UniProt: P22460 (KCNA5_HUMAN)
Organism: Homo sapiens
Drug: (S)-nicardipine
Target: Voltage-gated L-type calcium channel (Ion channel)
Gene: CACNA1D|CACNA1C
UniProt: Q01668|Q13936 (CAC1D_HUMAN|CAC1C_HUMAN)
Organism: Homo sapiens
Action type: BLOCKER
Assay: Mechanism of Action
Drug: (S)-nitrendipine
Target: Intermediate conductance calcium-activated potassium channel protein 4 (Ion channel)
Gene: KCNN4
UniProt: O15554 (KCNN4_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.6
Action type: BLOCKER
Drug: (S)-nitrendipine
Target: Voltage-dependent L-type calcium channel subunit alpha-1D (Ion channel)
Gene: CACNA1D
UniProt: Q01668 (CAC1D_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8.4
Action type: GATING INHIBITOR
Assay: Recombinant Cav1.3 calcium channel complexes expressed in tsA-cells
Drug: (S)-nitrendipine
Target: Voltage-dependent L-type calcium channel subunit alpha-1F (Ion channel)
Gene: CACNA1F
UniProt: O60840 (CAC1F_HUMAN)
Organism: Homo sapiens
Activity: IC50 ~ 6
Action type: GATING INHIBITOR
Drug: (S)-nitrendipine
Target: Voltage-dependent L-type calcium channel subunit alpha-1C (Ion channel)
Gene: Cacna1c
UniProt: P22002 (CAC1C_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 6
Action type: GATING INHIBITOR
Drug: (S)-nitrendipine
Target: Voltage-dependent L-type calcium channel subunit alpha-1S (Ion channel)
Gene: Cacna1s
UniProt: Q02485 (CAC1S_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 6
Action type: GATING INHIBITOR
Drug: (S)-nitrendipine
Target: Voltage-dependent L-type calcium channel subunit alpha-1C (Ion channel)
Gene: CACNA1C
UniProt: Q13936 (CAC1C_HUMAN)
Organism: Homo sapiens
Action type: BLOCKER
Assay: Mechanism of Action
Drug: levdobutamine
Target: Beta-1 adrenergic receptor (GPCR)
Gene: ADRB1
UniProt: P08588 (ADRB1_HUMAN)
Organism: Homo sapiens
Action type: AGONIST
Drug: aminopterin
Target: Dihydrofolate reductase (Enzyme)
Gene: Dhfr
UniProt: P00375 (DYR_MOUSE)
Organism: Mus musculus
Activity: IC50 = 8.7
Assay: Inhibitory activity against dihydrofolate reductase(DHFR) isolated from L1210 murine leukemia cells
Drug: aminopterin
Target: Dihydrofolate reductase (Enzyme)
Gene: folA
UniProt: P00381 (DYR_LACCA)
Organism: Lactobacillus casei
Activity: IC50 = 8.3
Assay: Inhibition of dihydrofolate reductase in Lactobacillus casei
Drug: aminopterin
Target: Dihydrofolate reductase (Enzyme)
Gene: dfrA17
UniProt: B0BL08 (B0BL08_ECOLX)
Organism: Escherichia coli
Activity: IC50 = 7.96
Assay: Inhibition of dihydrofolate reductase in Escherichia coli
Drug: aminopterin
Target: Folylpoly-gamma-glutamate synthetase (Enzyme)
Gene: Fpgs
UniProt: P48760 (FOLC_MOUSE)
Organism: Mus musculus
Activity: Ki = 4.75
Assay: Compound was tested for its ability to inhibit Folyl-polyglutamate synthase from mouse liver
Drug: aminopterin
Target: Dihydrofolate reductase (Enzyme)
Gene: DHFR
UniProt: P00374 (DYR_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.93
Action type: INHIBITOR
Assay: Inhibition of human dihydrofolate reductase
Drug: phenylbutanoic acid
Target: Aldose reductase (Enzyme)
Gene: AKR1B1
UniProt: P15121 (ALDR_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.02
Assay: Inhibition of aldose reductase
Drug: phenylbutanoic acid
Target: Histone deacetylase 2 (Enzyme)
Gene: HDAC2
UniProt: Q92769 (HDAC2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.19
Assay: Inhibition of human recombinant HDAC2
Drug: phenylbutanoic acid
Target: Histone deacetylase 1 (Enzyme)
Gene: HDAC1
UniProt: Q13547 (HDAC1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.19
Assay: Inhibition of human recombinant HDAC1
Drug: phenylbutanoic acid
Target: Histone deacetylase 8 (Enzyme)
Gene: HDAC8
UniProt: Q9BY41 (HDAC8_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.03
Assay: Inhibition of human recombinant HDAC8
Drug: azacitidine
Target: DNA (cytosine-5)-methyltransferase 1 (Enzyme)
Gene: DNMT1
UniProt: P26358 (DNMT1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.52
Action type: INHIBITOR
Assay: Inhibition of human DNMT1 using polydeoxyinosine polydeoxycytosine DNA as substrate after 15 mins in presence of SAM by TR-FRET assay
Drug: azacitidine
Target: DNA (cytosine-5)-methyltransferase 3A (Enzyme)
Gene: DNMT3A
UniProt: Q9Y6K1 (DNM3A_HUMAN)
Organism: Homo sapiens
Action type: INHIBITOR
Assay: Mechanism of Action; CHEMBL1992; SINGLE PROTEIN
Drug: fluorouracil
Target: Thymidylate synthase (Enzyme)
Gene: TYMS
UniProt: P04818 (TYSY_HUMAN)
Organism: Homo sapiens
Action type: INHIBITOR
Drug: fluorouracil
Target: Multidrug resistance-associated protein 5 (Transporter)
Gene: ABCC5
UniProt: O15440 (MRP5_HUMAN)
Organism: Homo sapiens
Drug: fluorouracil
Target: ATP-binding cassette sub-family C member 11 (Transporter)
Gene: ABCC11
UniProt: Q96J66 (ABCCB_HUMAN)
Organism: Homo sapiens
Drug: fluorouracil
Target: Thymidylate synthase (Enzyme)
Gene: Tyms
UniProt: P07607 (TYSY_MOUSE)
Organism: Mus musculus
Activity: IC50 = 7.7
Assay: Inhibition of thymidylate synthase in mouse L1210 cells assessed as inhibition of tritium release from [5-3H]deoxyuridine after preincubation for 24 hrs by liquid scintillation counting
Drug: fluorouracil
Target: Uracil phosphoribosyltransferase (Enzyme)
Gene: upp
UniProt: P0A8F0 (UPP_ECOLI)
Organism: Escherichia coli (strain K12)
Activity: Ki = 4.89
Assay: Inhibition of Escherichia coli K-12 MTCC 1302 UPRT activity by spectrophotometry
Drug: azaribine
Target: Orotidine 5'-phosphate decarboxylase (Enzyme)
Gene: pyrF
UniProt: O26232 (PYRF_METTH)
Organism: Methanothermobacter thermautotrophicus (strain ATCC 29096 / DSM 1053 / JCM 10044 / NBRC 100330 / Delta H)
Activity: Ki = 4.96
Assay: Inhibition of Methanobacterium thermoautotrophicum ODCase
Drug: azaribine
Target: Orotidine 5'-phosphate decarboxylase (Enzyme)
Gene: URA3
UniProt: P03962 (PYRF_YEAST)
Organism: Saccharomyces cerevisiae
Activity: Ki = 7.19
Assay: Inhibition of yeast ODCase
Drug: methoxsalen
Target: Acetylcholinesterase (Enzyme)
Gene: ACHE
UniProt: P22303 (ACES_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.12
Assay: Inhibition of acetylcholinesterase (unknown origin) using acetylcholine iodide as substrate preincubated for 15 mins prior to substrate addition by spectrophotometric analysis
Drug: methoxsalen
Target: Cytochrome P450 1A2 (Enzyme)
Gene: CYP1A2
UniProt: P05177 (CP1A2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.398
Assay: DRUGMATRIX: CYP450, 1A2 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)
Drug: methoxsalen
Target: Amine oxidase [flavin-containing] A (Enzyme)
Gene: MAOA
UniProt: P21397 (AOFA_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.07
Assay: Inhibition of MAO-A activity
Drug: methoxsalen
Target: Polyphenol oxidase 2 (Enzyme)
Gene: PPO2
UniProt: O42713 (PPO2_AGABI)
Organism: Agaricus bisporus
Activity: EC50 = 4.83
Assay: Activation of mushroom tyrosinase using L-tyrosine as substrate preincubated for 5 mins followed by substrate addition measured after 30 mins by ELISA
Drug: abacavir
Target: Gag-Pol polyprotein (Polyprotein)
Gene: gag-pol
UniProt: P03369 (POL_HV1A2)
Organism: Human immunodeficiency virus type 1 group M subtype B (isolate ARV2/SF2)
Activity: EC50 = 5.276
Drug: abacavir
Target: Reverse transcriptase/RNaseH (Enzyme)
Gene: pol
UniProt: Q72547 (Q72547_9HIV1)
Organism: Human immunodeficiency virus 1
Activity: EC50 = 5.28
Action type: INHIBITOR
Assay: In vitro antiviral activity against HIV-1 Reverse transcriptase wild type
Drug: abacavir
Target: Reverse transcriptase (Enzyme)
Gene: reverse transcriptas
UniProt: Q9WKE8 (Q9WKE8_9HIV1)
Organism: Human immunodeficiency virus 1
Activity: IC50 = 6.89
Assay: Inhibition on HIV1 reverse transcriptase p66/p51
Drug: abarelix
Target: Gonadotropin-releasing hormone receptor (GPCR)
Gene: GNRHR
UniProt: P30968 (GNRHR_HUMAN)
Organism: Homo sapiens
Activity: Ki = 9.49
Action type: ANTAGONIST
Drug: acamprosate
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 MODULATOR
Drug: acamprosate
Target: Glutamate [NMDA] receptor (Ion channel)
Gene: GRIN2D|GRIN3B|GRIN1|GRIN2A|GRIN2B|GRIN2C|GRIN3A
UniProt: O15399|O60391|Q05586|Q12879|Q13224|Q14957|Q8TCU5 (NMDE4_HUMAN|NMD3B_HUMAN|NMDZ1_HUMAN|NMDE1_HUMAN|NMDE2_HUMAN|NMDE3_HUMAN|NMD3A_HUMAN)
Organism: Homo sapiens
Action type: ANTAGONIST
Assay: Mechanism of Action; CHEMBL2094124; PROTEIN COMPLEX GROUP
Drug: acarbose
Target: Maltase-glucoamylase, intestinal (Enzyme)
Gene: MGAM
UniProt: O43451 (MGA_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.697
Action type: INHIBITOR
Drug: acarbose
Target: Pancreatic alpha-amylase (Enzyme)
Gene: AMY2A
UniProt: P04746 (AMYP_HUMAN)
Organism: Homo sapiens
Action type: INHIBITOR
Assay: Mechanism of Action; CHEMBL2045; SINGLE PROTEIN
Drug: acarbose
Target: Alpha-amylase 1 (Enzyme)
Gene: AMY1A
UniProt: P04745 (AMY1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6
Assay: Inhibition of human salivary alpha-amylase
Drug: acarbose
Target: Lysosomal alpha-glucosidase (Enzyme)
Gene: GAA
UniProt: P10253 (LYAG_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.3
Assay: Inhibition of maltase in human Caco-2 cell model system after 2 hrs
Drug: acarbose
Target: Sucrase-isomaltase, intestinal (Enzyme)
Gene: Si
UniProt: P23739 (SUIS_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 6.4
Assay: Inhibition of rat intestinal sucrase using sucrose as substrate assessed as D-glucose release from substrate preincubated for 15 mins measured after 60 mins
Drug: acarbose
Target: Lysosomal alpha-glucosidase (Enzyme)
Gene: Gaa
UniProt: Q6P7A9 (LYAG_RAT)
Organism: Rattus norvegicus
Activity: Ki = 5.46
Assay: Competitive inhibition of rat alpha-glucosidase assessed as production of chromogenic p-Nitrphenol measured after 3 mins by HPLC and Michaelis-Menten equation
Drug: acarbose
Target: Alpha-amylase (Enzyme)
UniProt: P94451 (P94451_GEOSE)
Organism: Geobacillus stearothermophilus
Activity: Ki = 6.47
Assay: Competitive inhibition of Bacillus stearothermophilus alpha-glucosidase assessed as production of chromogenic p-Nitrphenol measured after 3 mins by HPLC and Michaelis-Menten equation
Drug: acarbose
Target: Oligo-1,6-glucosidase (Enzyme)
Gene: IMA1
UniProt: P53051 (MALX3_YEAST)
Organism: Saccharomyces cerevisiae (strain ATCC 204508 / S288c)
Activity: IC50 = 4.42
Assay: Inhibition of Saccharomyces cerevisiae alpha-glucosidase using p-nitrophenyl-alpha-D-glucopyranoside as substrate preincubated for 10 mins measured after 30 mins
Drug: acarbose
Target: Pancreatic alpha-amylase (Enzyme)
Gene: AMY2
UniProt: P00690 (AMYP_PIG)
Organism: Sus scrofa
Activity: IC50 = 4.45
Assay: Inhibition of porcine pancreatic alpha amylase using starch as substrate by Bernfeld method
Drug: acarbose
Target: Sucrase-isomaltase, intestinal (Enzyme)
Gene: SI
UniProt: P14410 (SUIS_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.609
Assay: C-terminal catalytic subunit
Drug: acebutolol
Target: Beta-1 adrenergic receptor (GPCR)
Gene: ADRB1
UniProt: P08588 (ADRB1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.3
Action type: ANTAGONIST
Drug: acebutolol
Target: Beta-2 adrenergic receptor (GPCR)
Gene: ADRB2
UniProt: P07550 (ADRB2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.4
Drug: acebutolol
Target: 5-hydroxytryptamine receptor 1A (GPCR)
Gene: Htr1a
UniProt: P19327 (5HT1A_RAT)
Organism: Rattus norvegicus
Activity: Ki = 5
Drug: aceclofenac
Target: Transthyretin (Secreted)
Gene: TTR
UniProt: P02766 (TTHY_HUMAN)
Organism: Homo sapiens
Activity: Kd = 5.92
Drug: aceclofenac
Target: Aldose reductase (Enzyme)
Gene: Akr1b1
UniProt: P07943 (ALDR_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 5.89
Assay: DRUGMATRIX: Aldose Reductase enzyme inhibition (substrate: DL-Glyceraldehyde)
Drug: aceclofenac
Target: Mitogen-activated protein kinase 1 (Kinase)
Gene: MAPK1
UniProt: P28482 (MK01_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.227
Assay: DRUGMATRIX: Protein Serine/Threonine Kinase, ERK2 enzyme inhibition (substrate: Myelin Basic Protein)
Drug: aceclofenac
Target: Prostaglandin G/H synthase 2 (Enzyme)
Gene: PTGS2
UniProt: P35354 (PGH2_HUMAN)
Organism: Homo sapiens
Action type: INHIBITOR
Assay: Mechanism of Action
Drug: acediasulfone
Target: Aldose reductase (Enzyme)
Gene: AKR1B1
UniProt: P16116 (ALDR_BOVIN)
Organism: Bos taurus
Activity: IC50 = 4.7
Assay: Inhibition of Aldose reductase (AR)
Drug: acediasulfone
Target: Dihydropteroate synthetase, putative (Unclassified)
UniProt: Q4Z710 (Q4Z710_PLABA)
Organism: Plasmodium berghei (strain Anka)
Activity: IC50 = 4.75
Assay: Inhibitory activity against dihydropteroic acid synthase (SYN) from Plasmodium berghei
Drug: acediasulfone
Target: 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase (Unclassified)
Gene: PPPK-DHPS
UniProt: A0A113T0T6 (A0A113T0T6_PLABE)
Organism: Plasmodium berghei
Activity: IC50 = 4.75
Assay: Inhibitory activity against dihydropteroic acid synthase (SYN) from Plasmodium berghei
Drug: acemetacin
Target: Prostaglandin G/H synthase 2 (Enzyme)
Gene: PTGS2
UniProt: P35354 (PGH2_HUMAN)
Organism: Homo sapiens
Action type: INHIBITOR
Assay: Mechanism of Action
Drug: acemetacin
Target: Prostaglandin G/H synthase 1 (Enzyme)
Gene: PTGS1
UniProt: P23219 (PGH1_HUMAN)
Organism: Homo sapiens
Action type: INHIBITOR
Assay: Mechanism of Action
Drug: acemetacin
Target: Lactoylglutathione lyase (Enzyme)
Gene: GLO1
UniProt: Q04760 (LGUL_HUMAN)
Organism: Homo sapiens
Activity: Ki = 4.89
Assay: Inhibition of glyoxalase 1
Drug: acenocoumarol
Target: Vitamin K epoxide reductase complex subunit 1 (Unclassified)
Gene: Vkorc1
UniProt: Q6TEK4 (VKOR1_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 6.11
Action type: INHIBITOR
Drug: acenocoumarol
Target: Vitamin K epoxide reductase complex subunit 1 (Enzyme)
Gene: VKORC1
UniProt: Q9BQB6 (VKOR1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.114
Action type: INHIBITOR
Drug: acefylline
Target: Adenosine receptor A2b (GPCR)
Gene: ADORA2B
UniProt: P29275 (AA2BR_HUMAN)
Organism: Homo sapiens
Activity: Ki = 4.56
Assay: Binding affinity at human Adenosine A2B receptor expressed in HEK293 cells, using [125I]ABOPX as radioligand
Drug: aceprometazine
Target: Histamine H1 receptor (GPCR)
Gene: HRH1
UniProt: P35367 (HRH1_HUMAN)
Organism: Homo sapiens
Action type: ANTAGONIST
Assay: Mechanism of Action
Drug: paracetamol
Target: Prostaglandin G/H synthase 2 (Enzyme)
Gene: PTGS2
UniProt: P35354 (PGH2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.31
Action type: INHIBITOR
Drug: paracetamol
Target: Transient receptor potential cation channel subfamily V member 1 (Ion channel)
Gene: TRPV1
UniProt: Q8NER1 (TRPV1_HUMAN)
Organism: Homo sapiens
Action type: OPENER
Drug: paracetamol
Target: Nuclear receptor subfamily 1 group I member 3 (Nuclear hormone receptor)
Gene: NR1I3
UniProt: Q14994 (NR1I3_HUMAN)
Organism: Homo sapiens
Drug: paracetamol
Target: Carbonic anhydrase 2 (Enzyme)
Gene: CA2
UniProt: P00918 (CAH2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.21
Assay: Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydrase assay
Drug: paracetamol
Target: Carbonic anhydrase 1 (Enzyme)
Gene: CA1
UniProt: P00915 (CAH1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5
Assay: Inhibition of human carbonic anhydrase 1 by stopped-flow CO2 hydrase assay
Drug: paracetamol
Target: Carbonic anhydrase 4 (Enzyme)
Gene: CA4
UniProt: P22748 (CAH4_HUMAN)
Organism: Homo sapiens
Activity: Ki = 4.94
Assay: Inhibition of human carbonic anhydrase 4 by stopped-flow CO2 hydration assay
Drug: paracetamol
Target: Carbonic anhydrase 9 (Enzyme)
Gene: CA9
UniProt: Q16790 (CAH9_HUMAN)
Organism: Homo sapiens
Activity: Ki = 4.15
Assay: Inhibition of human carbonic anhydrase 9 catalytic domain by stopped-flow CO2 hydration assay
Drug: paracetamol
Target: Carbonic anhydrase 12 (Enzyme)
Gene: CA12
UniProt: O43570 (CAH12_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.39
Assay: Inhibition of human carbonic anhydrase 12 catalytic domain by stopped-flow CO2 hydration assay
Drug: paracetamol
Target: Carbonic anhydrase 7 (Enzyme)
Gene: CA7
UniProt: P43166 (CAH7_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.04
Assay: Inhibition of human carbonic anhydrase 7 by stopped-flow CO2 hydration assay
Drug: paracetamol
Target: Carbonic anhydrase 3 (Enzyme)
Gene: CA3
UniProt: P07451 (CAH3_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.15
Assay: Inhibition of human carbonic anhydrase 3 by stopped-flow CO2 hydration assay
Drug: paracetamol
Target: Carbonic anhydrase 14 (Enzyme)
Gene: CA14
UniProt: Q9ULX7 (CAH14_HUMAN)
Organism: Homo sapiens
Activity: Ki = 4.97
Assay: Inhibition of human carbonic anhydrase 14 by stopped-flow CO2 hydration assay
Drug: paracetamol
Target: Arachidonate 5-lipoxygenase-activating protein (Cytosolic other)
Gene: ALOX5AP
UniProt: P20292 (AL5AP_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.36
Assay: Inhibition of FLAP
Drug: paracetamol
Target: Arachidonate 15-lipoxygenase (Enzyme)
Gene: ALOX15
UniProt: P12530 (LOX15_RABIT)
Organism: Oryctolagus cuniculus
Activity: IC50 = 4.547
Assay: DRUGMATRIX: Lipoxygenase 15-LO enzyme inhibition (substrate: Linoleic acid)
Drug: paracetamol
Target: Carbonic anhydrase 13 (Enzyme)
Gene: Ca13
UniProt: Q9D6N1 (CAH13_MOUSE)
Organism: Mus musculus
Activity: Ki = 4.52
Assay: Inhibition of mouse carbonic anhydrase 13 by stopped-flow CO2 hydration assay
Drug: paracetamol
Target: Carbonic anhydrase 15 (Enzyme)
Gene: Ca15
UniProt: Q99N23 (CAH15_MOUSE)
Organism: Mus musculus
Activity: Ki = 5.03
Assay: Inhibition of mouse recombinant carbonic anhydrase 15 by stopped-flow CO2 hydrase assay
Drug: paracetamol
Target: Myoglobin (Unclassified)
Gene: MB
UniProt: P02144 (MYG_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.64
Assay: Inhibition of myoglobin (unknown origin)-mediated arachidonic acid oxidation using [14C]AA as substrate after 3 hrs by GC/NICI/MS analysis
Drug: paracetamol
Target: Cannabinoid receptor 1 (GPCR)
Gene: CNR1
UniProt: P21554 (CNR1_HUMAN)
Organism: Homo sapiens
Action type: AGONIST
Drug: acetanilide
Target: Nicotinate phosphoribosyltransferase (Enzyme)
Gene: NAPRT
UniProt: Q6XQN6 (PNCB_HUMAN)
Organism: Homo sapiens
Activity: Ki = 9
Assay: Inhibition of NAPRT (unknown origin)
Drug: acetazolamide
Target: Carbonic anhydrase 2, isoform A; LD26647p (Enzyme)
Gene: CAH2
UniProt: Q9VTU8 (Q9VTU8_DROME)
Organism: Drosophila melanogaster
Activity: Ki = 7.11
Assay: Inhibition of Drosophila melanogaster recombinant carbonic anhydrase-2 expressed in Escherichia coli BL21 (DE3) preincubated for 15 mins by CO2 hydration stopped-flow assay
Drug: acetazolamide
Target: Carbonic anhydrase 1; GH09688p (Enzyme)
Gene: CAH1
UniProt: Q9V396 (Q9V396_DROME)
Organism: Drosophila melanogaster
Activity: Ki = 6.97
Assay: Inhibition of Drosophila melanogaster recombinant carbonic anhydrase-1 expressed in Escherichia coli BL21 (DE3) preincubated for 15 mins by CO2 hydration stopped-flow assay
Drug: acetazolamide
Target: Carbonic anhydrase 2 (Enzyme)
Gene: CA2
UniProt: P00918 (CAH2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 8.48
Action type: INHIBITOR
Assay: Inhibitory constant value for Carbonic anhydrase II in human determined in pH-shift assay
Drug: acetazolamide
Target: Carbonic anhydrase 1 (Enzyme)
Gene: CA1
UniProt: P00915 (CAH1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.92
Action type: INHIBITOR
Assay: Inhibition of human carbonic anhydrase 1-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay
Drug: acetazolamide
Target: Carbonic anhydrase 4 (Enzyme)
Gene: CA4
UniProt: P22748 (CAH4_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.96
Action type: INHIBITOR
Assay: Inhibition of human secreted carbonic anhydrase 4 measured by CO2 hydration reaction assay
Drug: acetazolamide
Target: Carbonic anhydrase 9 (Enzyme)
Gene: CA9
UniProt: Q16790 (CAH9_HUMAN)
Organism: Homo sapiens
Activity: Ki = 8.05
Assay: Inhibition of human recombinant carbonic anhydrase 9 catalytic domain expressed in Escherichia coli by stopped-flow CO2 hydration assay
Drug: acetazolamide
Target: Carbonic anhydrase 12 (Enzyme)
Gene: CA12
UniProt: O43570 (CAH12_HUMAN)
Organism: Homo sapiens
Activity: Ki = 8.6
Action type: INHIBITOR
Assay: Inhibition of human recombinant carbonic anhydrase 12 catalytic domain preincubated for 15 mins by CO2 hydration method
Drug: acetazolamide
Target: Aquaporin-1 (Transporter)
Gene: AQP1
UniProt: P29972 (AQP1_HUMAN)
Organism: Homo sapiens
Drug: acetazolamide
Target: Carbonic anhydrase 5A, mitochondrial (Enzyme)
Gene: CA5A
UniProt: P35218 (CAH5A_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.22
Assay: Inhibition of recombinant human mitochondrial isozyme CA VA
Drug: acetazolamide
Target: Carbonic anhydrase 5B, mitochondrial (Enzyme)
Gene: CA5B
UniProt: Q9Y2D0 (CAH5B_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.27
Assay: Inhibitory activity against human recombinant mitochondrial isozyme CA VB
Drug: acetazolamide
Target: Carbonic anhydrase 7 (Enzyme)
Gene: CA7
UniProt: P43166 (CAH7_HUMAN)
Organism: Homo sapiens
Activity: Ki = 8.6
Assay: Ki value against human carbonic anhydrase VII
Drug: acetazolamide
Target: Carbonic anhydrase (Enzyme)
Gene: cynT
UniProt: O24855 (CYNT_HELPY)
Organism: Helicobacter pylori (strain ATCC 700392 / 26695)
Activity: Ki = 7.7
Assay: Inhibition of Helicobacter pylori recombinant CA
Drug: acetazolamide
Target: Carbonic anhydrase 3 (Enzyme)
Gene: CA3
UniProt: P07451 (CAH3_HUMAN)
Organism: Homo sapiens
Activity: Ki = 8.51
Assay: Inhibition of human carbonic anhydrase 3
Drug: acetazolamide
Target: Carbonic anhydrase 6 (Enzyme)
Gene: CA6
UniProt: P23280 (CAH6_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.96
Assay: Inhibition of full length human recombinant CA VI
Drug: acetazolamide
Target: Carbonic anhydrase 14 (Enzyme)
Gene: CA14
UniProt: Q9ULX7 (CAH14_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.39
Assay: Inhibitory constant against human carbonic anhydrase XIV in CO2 hydrase assay
Drug: acetazolamide
Target: Carbonic anhydrase 13 (Enzyme)
Gene: Ca13
UniProt: Q9D6N1 (CAH13_MOUSE)
Organism: Mus musculus
Activity: Ki = 7.77
Assay: Inhibitory activity against murine carbonic anhydrase XIII (mCA XIII) by using CO2 hydrase assay method
Drug: acetazolamide
Target: Carbonic anhydrase 4 (Enzyme)
Gene: CA4
UniProt: Q95323 (CAH4_BOVIN)
Organism: Bos taurus
Activity: Ki = 7.15
Assay: Compound was evaluated for inhibition against bovine carbonic anhydrase IV
Drug: acetazolamide
Target: Carbonic anhydrase 7 (Enzyme)
Gene: Ca7
UniProt: Q9ERQ8 (CAH7_MOUSE)
Organism: Mus musculus
Activity: Ki = 7.8
Assay: Ki value against mouse carbonic anhydrase VII
Drug: acetazolamide
Target: Carbonic anhydrase (Enzyme)
UniProt: P40881 (CAH_METTE)
Organism: Methanosarcina thermophila
Activity: Ki = 7.22
Assay: Inhibitory activity against alpha carbonic anhydrase (Zn-Cam) from Methanosarcina thermophila