AIM-Harvard/TrialPanorama-filtered huggingface dataset:
Drug: estramustine phosphate
Target: Estrogen receptor beta (Nuclear hormone receptor)
Gene: ESR2
UniProt: Q92731 (ESR2_HUMAN)
Organism: Homo sapiens
Action type: MODULATOR
Assay: Mechanism of Action; CHEMBL242; SINGLE PROTEIN
Drug: estramustine phosphate
Target: Tyrosine-protein phosphatase non-receptor type 1 (Enzyme)
Gene: PTPN1
UniProt: P18031 (PTN1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.2
Assay: Inhibition of recombinant PTP1B
Drug: estramustine phosphate
Target: Tyrosine-protein phosphatase non-receptor type 11 (Enzyme)
Gene: PTPN11
UniProt: Q06124 (PTN11_HUMAN)
Organism: Homo sapiens
Activity: Kd = 5.08
Assay: Binding affinity to recombinant SHP2 by surface plasmon response
Drug: estramustine phosphate
Target: Protein-tyrosine phosphatase 1C (Enzyme)
Gene: PTPN6
UniProt: P29350 (PTN6_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.39
Assay: Inhibition of recombinant SHP1
Drug: estriol succinate
Target: Sodium-dependent serotonin transporter (Transporter)
Gene: SLC6A4
UniProt: P31645 (SC6A4_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.26
Assay: DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)
Drug: estriol succinate
Target: Glucocorticoid receptor (Nuclear hormone receptor)
Gene: NR3C1
UniProt: P04150 (GCR_HUMAN)
Organism: Homo sapiens
Activity: Ki = 4.75
Assay: DRUGMATRIX: Glucocorticoid radioligand binding (ligand: [3H] Dexamethasone)
Drug: estriol succinate
Target: Estrogen receptor (Nuclear hormone receptor)
Gene: ESR1
UniProt: P03372 (ESR1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 9.32
Assay: DRUGMATRIX: Estrogen ERalpha radioligand binding (ligand: [3H] Estradiol)
Drug: estriol succinate
Target: Estrogen receptor beta (Nuclear hormone receptor)
Gene: ESR2
UniProt: Q92731 (ESR2_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 9.9
Assay: Agonist activity at ER-beta (unknown origin) transfected in HEK293T cells after 24 hrs by Steady-Glo luciferase reporter gene assay
Drug: estriol succinate
Target: Corticosteroid-binding globulin (Secreted)
Gene: SERPINA6
UniProt: P08185 (CBG_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5
Drug: estriol succinate
Target: Sex hormone-binding globulin (Secreted)
Gene: SHBG
UniProt: P04278 (SHBG_HUMAN)
Organism: Homo sapiens
Activity: Kd = 6.63
Assay: Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin
Drug: estriol succinate
Target: Arachidonate 15-lipoxygenase (Enzyme)
Gene: ALOX15
UniProt: P12530 (LOX15_RABIT)
Organism: Oryctolagus cuniculus
Activity: IC50 = 5.06
Drug: estriol succinate
Target: Lanosterol 14-alpha demethylase (Enzyme)
Gene: cyp51
UniProt: P9WPP9 (CP51_MYCTU)
Organism: Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Activity: Kd = 4
Drug: estriol succinate
Target: Olfactory receptor 51E2 (GPCR)
Gene: OR51E2
UniProt: Q9H255 (O51E2_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 4.28
Assay: Agonist activity at PSGR/OR51E2 (unknown origin) expressed in human Hana3A cells co-transfected with CRE-Luc by luciferase reporter gene assay
Drug: eszopiclone
Target: Gamma-aminobutyric acid receptor subunit alpha-1 (Ion channel)
Gene: GABRA1
UniProt: P14867 (GBRA1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.3
Assay: Displacement of [3H]Ro15-1788 from benzodiazepine binding site of GABAA alpha-1-beta-2-gamma-2 receptor expressed in HEK293T cells
Drug: eszopiclone
Target: Gamma-aminobutyric acid receptor subunit alpha-2 (Ion channel)
Gene: GABRA2
UniProt: P47869 (GBRA2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.94
Action type: POSITIVE ALLOSTERIC MODULATOR
Assay: Displacement of [3H]Ro-151788 from benzodiazepine binding site of GABAA alpha-2-beta-2-gamma-2 receptor expressed in HEK293T cells
Drug: eszopiclone
Target: Gamma-aminobutyric acid receptor subunit alpha-3 (Ion channel)
Gene: GABRA3
UniProt: P34903 (GBRA3_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.79
Assay: Displacement of [3H]Ro-151788 from benzodiazepine binding site of GABAA alpha-3-beta-2-gamma-2 receptor expressed in HEK293T cells
Drug: eszopiclone
Target: Gamma-aminobutyric acid receptor subunit alpha-4 (Ion channel)
Gene: GABRA4
UniProt: P48169 (GBRA4_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.99
Action type: POSITIVE ALLOSTERIC MODULATOR
Assay: Displacement of [3H]Ro-154513 from benzodiazepine binding site of GABAA alpha-4-beta-2-gamma-2 receptor expressed in HEK293T cells
Drug: eszopiclone
Target: GABA-A receptor alpha-1/beta-2/gamma-2 (Ion channel)
Gene: GABRA1|GABRG2|GABRB2
UniProt: P14867|P18507|P47870 (GBRA1_HUMAN|GBRG2_HUMAN|GBRB2_HUMAN)
Organism: Homo sapiens
Action type: POSITIVE ALLOSTERIC MODULATOR
Drug: eszopiclone
Target: GABA-A receptor alpha-1/beta-2/gamma-3 (Ion channel)
Gene: GABRA1|GABRB2|GABRG3
UniProt: P14867|P47870|Q99928 (GBRA1_HUMAN|GBRB2_HUMAN|GBRG3_HUMAN)
Organism: Homo sapiens
Action type: POSITIVE ALLOSTERIC MODULATOR
Drug: eszopiclone
Target: GABA A receptor alpha-3/beta-2/gamma-2 (Ion channel)
Gene: GABRG2|GABRA3|GABRB2
UniProt: P18507|P34903|P47870 (GBRG2_HUMAN|GBRA3_HUMAN|GBRB2_HUMAN)
Organism: Homo sapiens
Action type: POSITIVE ALLOSTERIC MODULATOR
Drug: eszopiclone
Target: GABA A receptor alpha-3/beta-2/gamma-3 (Ion channel)
Gene: GABRA3|GABRB2|GABRG3
UniProt: P34903|P47870|Q99928 (GBRA3_HUMAN|GBRB2_HUMAN|GBRG3_HUMAN)
Organism: Homo sapiens
Action type: POSITIVE ALLOSTERIC MODULATOR
Drug: eszopiclone
Target: GABA A receptor alpha-5/beta-2/gamma-2 (Ion channel)
Gene: GABRG2|GABRA5|GABRB2
UniProt: P18507|P31644|P47870 (GBRG2_HUMAN|GBRA5_HUMAN|GBRB2_HUMAN)
Organism: Homo sapiens
Action type: POSITIVE ALLOSTERIC MODULATOR
Drug: eszopiclone
Target: GABA A receptor alpha-5/beta-2/gamma-3 (Ion channel)
Gene: GABRA5|GABRB2|GABRG3
UniProt: P31644|P47870|Q99928 (GBRA5_HUMAN|GBRB2_HUMAN|GBRG3_HUMAN)
Organism: Homo sapiens
Action type: POSITIVE ALLOSTERIC MODULATOR
Drug: ethacrynic acid
Target: Solute carrier family 12 member 1 (Transporter)
Gene: SLC12A1
UniProt: Q13621 (S12A1_HUMAN)
Organism: Homo sapiens
Action type: INHIBITOR
Drug: ethacrynic acid
Target: Glutathione S-transferase P (Enzyme)
Gene: GSTP1
UniProt: P09211 (GSTP1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.47
Assay: Inhibition of GST P1-1 in human HL60 cell lysate
Drug: ethacrynic acid
Target: Glutathione S-transferase A1 (Enzyme)
Gene: GSTA1
UniProt: P08263 (GSTA1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.3
Assay: Inhibition of GST A1-1
Drug: ethacrynic acid
Target: Aldose reductase (Enzyme)
Gene: Akr1b1
UniProt: P07943 (ALDR_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 5.939
Assay: DRUGMATRIX: Aldose Reductase enzyme inhibition (substrate: DL-Glyceraldehyde)
Drug: ethacrynic acid
Target: UDP-glucose 4-epimerase (Enzyme)
Gene: GALE
UniProt: Q14376 (GALE_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.85
Assay: Inhibition of human GalE by HPAEC assay
Drug: ethacrynic acid
Target: Glutathione S-transferase omega-1 (Unclassified)
Gene: GSTO1
UniProt: P78417 (GSTO1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.6
Assay: Inhibition of human GSTO1-1 by MMA (V) reductase assay
Drug: ethambutol
Target: Cytochrome P450 3A4 (Enzyme)
Gene: CYP3A4
UniProt: P08684 (CP3A4_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.25
Drug: ethambutol
Target: 5-hydroxytryptamine receptor 2A (GPCR)
Gene: HTR2A
UniProt: P28223 (5HT2A_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.48
Drug: ethambutol
Target: 5-hydroxytryptamine receptor 2B (GPCR)
Gene: HTR2B
UniProt: P41595 (5HT2B_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.15
Drug: ethambutol
Target: 5-hydroxytryptamine receptor 2C (GPCR)
Gene: HTR2C
UniProt: P28335 (5HT2C_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.16
Drug: ethambutol
Target: Probable arabinosyltransferase A (Enzyme)
Gene: embA
UniProt: P9WNL8 (EMBA_MYCTO)
Organism: Mycobacterium tuberculosis (strain CDC 1551 / Oshkosh)
Drug: ethambutol
Target: Probable arabinosyltransferase B (Enzyme)
Gene: embB
UniProt: P9WNL6 (EMBB_MYCTO)
Organism: Mycobacterium tuberculosis (strain CDC 1551 / Oshkosh)
Drug: ethambutol
Target: Probable arabinosyltransferase C (Enzyme)
Gene: embC
UniProt: P9WNL5 (EMBC_MYCTU)
Organism: Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Drug: ethambutol
Target: Cytochrome P450 3A5 (Enzyme)
Gene: CYP3A5
UniProt: P20815 (CP3A5_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.72
Drug: ethambutol
Target: Probable arabinosyltransferase A (Enzyme)
Gene: embA
UniProt: P9WNL9 (EMBA_MYCTU)
Organism: Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Action type: INHIBITOR
Assay: Mechanism of Action; CHEMBL1877; SINGLE PROTEIN
Drug: ethanol
Target: Glutamate receptor ionotropic, NMDA 3A (Ion channel)
Gene: GRIN3A
UniProt: Q8TCU5 (NMD3A_HUMAN)
Organism: Homo sapiens
Drug: ethanol
Target: Glycine receptor subunit alpha-1 (Ion channel)
Gene: GLRA1
UniProt: P23415 (GLRA1_HUMAN)
Organism: Homo sapiens
Drug: ethanol
Target: Glycine receptor subunit alpha-2 (Ion channel)
Gene: GLRA2
UniProt: P23416 (GLRA2_HUMAN)
Organism: Homo sapiens
Drug: ethanol
Target: GABA A receptor alpha-4/beta-2/delta (Ion channel)
Gene: GABRD|GABRB2|GABRA4
UniProt: O14764|P47870|P48169 (GBRD_HUMAN|GBRB2_HUMAN|GBRA4_HUMAN)
Organism: Homo sapiens
Drug: ethchlorvynol
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: ethinylestradiol
Target: 5-hydroxytryptamine receptor 4 (GPCR)
Gene: HTR4
UniProt: O70528 (5HT4R_CAVPO)
Organism: Cavia porcellus
Activity: Ki = 5.877
Assay: DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT4 radioligand binding (ligand: [3H] GR-113808)
Drug: ethinylestradiol
Target: Nuclear receptor subfamily 1 group I member 3 (Nuclear hormone receptor)
Gene: NR1I3
UniProt: Q14994 (NR1I3_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.52
Assay: Inverse agonist activity at GAL4 fused-human CAR-LBD transfected HEK293 cells after 24 hrs by luciferase reporter gene assay
Drug: ethinylestradiol
Target: Mu-type opioid receptor (GPCR)
Gene: OPRM1
UniProt: P35372 (OPRM_HUMAN)
Organism: Homo sapiens
Activity: Ki = 4.964
Assay: DRUGMATRIX: Opiate mu (OP3, MOP) radioligand binding (ligand: [3H] Diprenorphine)
Drug: ethinylestradiol
Target: Adenosine receptor A2a (GPCR)
Gene: ADORA2A
UniProt: P29274 (AA2AR_HUMAN)
Organism: Homo sapiens
Activity: Ki = 4.93
Assay: DRUGMATRIX: Adenosine A2A radioligand binding (ligand: AB-MECA)
Drug: ethinylestradiol
Target: Sodium-dependent serotonin transporter (Transporter)
Gene: SLC6A4
UniProt: P31645 (SC6A4_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.538
Assay: DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)
Drug: ethinylestradiol
Target: Sodium-dependent noradrenaline transporter (Transporter)
Gene: SLC6A2
UniProt: P23975 (SC6A2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.022
Assay: DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)
Drug: ethinylestradiol
Target: Aldehyde oxidase (Enzyme)
Gene: AOX1
UniProt: Q06278 (AOXA_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.244
Drug: ethinylestradiol
Target: Glucocorticoid receptor (Nuclear hormone receptor)
Gene: NR3C1
UniProt: P04150 (GCR_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.11
Assay: DRUGMATRIX: Glucocorticoid radioligand binding (ligand: [3H] Dexamethasone)
Drug: ethinylestradiol
Target: Sodium-dependent dopamine transporter (Transporter)
Gene: SLC6A3
UniProt: Q01959 (SC6A3_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.353
Assay: DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)
Drug: ethinylestradiol
Target: Adenosine receptor A3 (GPCR)
Gene: ADORA3
UniProt: P0DMS8 (AA3R_HUMAN)
Organism: Homo sapiens
Activity: Ki = 4.73
Assay: DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA)
Drug: ethinylestradiol
Target: Kappa-type opioid receptor (GPCR)
Gene: OPRK1
UniProt: P41145 (OPRK_HUMAN)
Organism: Homo sapiens
Activity: Ki = 4.985
Assay: DRUGMATRIX: Opiate kappa (OP2, KOP) radioligand binding (ligand: [3H] Diprenorphine)
Drug: ethinylestradiol
Target: Estrogen receptor (Nuclear hormone receptor)
Gene: ESR1
UniProt: P03372 (ESR1_HUMAN)
Organism: Homo sapiens
Activity: Kd = 9.83
Action type: AGONIST
Drug: ethinylestradiol
Target: Androgen receptor (Nuclear hormone receptor)
Gene: AR
UniProt: P10275 (ANDR_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.3
Drug: ethinylestradiol
Target: Estrogen receptor beta (Nuclear hormone receptor)
Gene: ESR2
UniProt: Q92731 (ESR2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8.09
Assay: Binding affinity to ERbeta
Drug: ethinylestradiol
Target: Sex hormone-binding globulin (Secreted)
Gene: SHBG
UniProt: P04278 (SHBG_HUMAN)
Organism: Homo sapiens
Activity: Kd = 6.81
Assay: Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin
Drug: ethinylestradiol
Target: Androgen receptor (Transcription factor)
Gene: Ar
UniProt: P15207 (ANDR_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 5.09
Assay: Inhibitory concentration against recombinant rat androgen receptor expressed in Escherichia coli using [3H]methyltrienolone (R 1881)
Drug: ethinylestradiol
Target: Arachidonate 15-lipoxygenase (Enzyme)
Gene: ALOX15
UniProt: P12530 (LOX15_RABIT)
Organism: Oryctolagus cuniculus
Activity: IC50 = 5.246
Assay: DRUGMATRIX: Lipoxygenase 15-LO enzyme inhibition (substrate: Linoleic acid)
Drug: ethinylestradiol
Target: Progesterone receptor (Transcription factor)
Gene: PGR
UniProt: Q690N0 (Q690N0_BOVIN)
Organism: Bos taurus
Activity: Ki = 6.857
Assay: DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020)
Drug: ethinylestradiol
Target: Solute carrier family 22 member 2 (Transporter)
Gene: SLC22A2
UniProt: O15244 (S22A2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.66
Assay: Inhibition of human OCT2-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay
Drug: ethinylestradiol
Target: Multidrug and toxin extrusion protein 1 (Transporter)
Gene: SLC47A1
UniProt: Q96FL8 (S47A1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.68
Assay: Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay
Drug: ethinylestradiol
Target: Multidrug and toxin extrusion protein 2 (Transporter)
Gene: SLC47A2
UniProt: Q86VL8 (S47A2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.69
Assay: Inhibition of human MATE2K-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay
Drug: ethionamide
Target: Catalase-peroxidase (Enzyme)
Gene: katG
UniProt: P9WIE4 (KATG_MYCTO)
Organism: Mycobacterium tuberculosis (strain CDC 1551 / Oshkosh)
Drug: ethionamide
Target: Enoyl-[acyl-carrier-protein] reductase [NADH] (Enzyme)
Gene: inhA
UniProt: P9WGR1 (INHA_MYCTU)
Organism: Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Action type: INHIBITOR
Drug: ethionamide
Target: Polyphenol oxidase 2 (Enzyme)
Gene: PPO2
UniProt: O42713 (PPO2_AGABI)
Organism: Agaricus bisporus
Activity: IC50 = 5.4
Assay: Inhibition of mushroom tyrosinase using L-tyrosine as substrate
Drug: ethisterone
Target: Glucocorticoid receptor (Nuclear hormone receptor)
Gene: NR3C1
UniProt: P04150 (GCR_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.022
Assay: DRUGMATRIX: Glucocorticoid radioligand binding (ligand: [3H] Dexamethasone)
Drug: ethisterone
Target: Sex hormone-binding globulin (Secreted)
Gene: SHBG
UniProt: P04278 (SHBG_HUMAN)
Organism: Homo sapiens
Activity: Kd = 8.78
Assay: Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin
Drug: ethisterone
Target: Androgen receptor (Transcription factor)
Gene: Ar
UniProt: P15207 (ANDR_RAT)
Organism: Rattus norvegicus
Activity: Ki = 7.357
Assay: DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Mibolerone)
Drug: ethisterone
Target: Progesterone receptor (Transcription factor)
Gene: PGR
UniProt: Q690N0 (Q690N0_BOVIN)
Organism: Bos taurus
Activity: Ki = 8.111
Assay: DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020)
Drug: ethisterone
Target: Polyphenol oxidase 2 (Enzyme)
Gene: PPO2
UniProt: O42713 (PPO2_AGABI)
Organism: Agaricus bisporus
Activity: IC50 = 5.58
Assay: Inhibition of mushroom tyrosinase after 10 mins
Drug: profenamine
Target: Muscarinic acetylcholine receptor M1 (GPCR)
Gene: CHRM1
UniProt: P11229 (ACM1_HUMAN)
Organism: Homo sapiens
Action type: ANTAGONIST
Drug: profenamine
Target: Glutamate receptor ionotropic, NMDA 3A (Ion channel)
Gene: GRIN3A
UniProt: Q8TCU5 (NMD3A_HUMAN)
Organism: Homo sapiens
Drug: profenamine
Target: Acetylcholinesterase (Enzyme)
Gene: ACHE
UniProt: P22303 (ACES_HUMAN)
Organism: Homo sapiens
Activity: Ki = 4.61
Assay: Inhibition of human recombinant AChE assessed as dissociation constant for enzyme-inhibitor complex by Lineweaver-Burk plot
Drug: profenamine
Target: Cholinesterase (Enzyme)
Gene: BCHE
UniProt: P06276 (CHLE_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.7
Assay: Inhibitory activity against Equine Butyrylcholinesterase
Drug: profenamine
Target: Solute carrier family 22 member 1 (Transporter)
Gene: SLC22A1
UniProt: O15245 (S22A1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.69
Assay: Inhibition of human OCT1 expressed in HEK293 cells assessed as decrease in uptake of ASP+ after 2 mins by fluorescence assay
Drug: profenamine
Target: Muscarinic acetylcholine receptor M2 (GPCR)
Gene: Chrm2
UniProt: P10980 (ACM2_RAT)
Organism: Rattus norvegicus
Activity: Ki = 8.14
Action type: ANTAGONIST
Assay: Displacement of [<sup<3</sup>H]QNB binding in rat hindbrain brain homogenate.
Drug: profenamine
Target: Muscarinic acetylcholine receptor M1 (GPCR)
Gene: Chrm1
UniProt: P08482 (ACM1_RAT)
Organism: Rattus norvegicus
Activity: Ki = 8.51
Action type: ANTAGONIST
Assay: Displacement of [<sup<3</sup>H]QNB binding in rat forebrain brain homogenate.
Drug: profenamine
Target: Butyrylcholinesterase (Enzyme)
Gene: BCHE
UniProt: Q9N1N9 (Q9N1N9_HORSE)
Organism: Equus caballus
Activity: Ki = 7.7
Assay: Dissociation constant for inhibition of equine Butyrylcholinesterase (BuChE)
Drug: profenamine
Target: Cholinesterase (Enzyme)
Gene: BCHE
UniProt: P81908 (CHLE_HORSE)
Organism: Equus caballus
Activity: IC50 = 6.14
Assay: Inhibition of Equine serum BChE using butyrylthiocholine iodide as a substrate after 20 mins by Ellman's assay
Drug: ethosuximide
Target: Voltage-dependent T-type calcium channel subunit alpha-1G (Ion channel)
Gene: CACNA1G
UniProt: O43497 (CAC1G_HUMAN)
Organism: Homo sapiens
Action type: BLOCKER
Drug: ethotoin
Target: Sodium channel alpha subunit (Ion channel)
Gene: SCN1A|SCN4A|SCN7A|SCN5A|SCN9A|SCN2A|SCN3A|SCN11A|SCN8A|SCN10A
UniProt: P35498|P35499|Q01118|Q14524|Q15858|Q99250|Q9NY46|Q9UI33|Q9UQD0|Q9Y5Y9 (SCN1A_HUMAN|SCN4A_HUMAN|SCN7A_HUMAN|SCN5A_HUMAN|SCN9A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN|SCNBA_HUMAN|SCN8A_HUMAN|SCNAA_HUMAN)
Organism: Homo sapiens
Action type: BLOCKER
Assay: Mechanism of Action; CHEMBL2331043; PROTEIN FAMILY
Drug: ethoxzolamide
Target: Carbonic anhydrase 2 (Enzyme)
Gene: CA2
UniProt: P00918 (CAH2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 9.31
Action type: INHIBITOR
Assay: In vitro binding to human erythrocyte carbonic anhydrase was determined by fluorescence competition assay employing the fluorescent CA inhibitor dansylamide
Drug: ethoxzolamide
Target: Carbonic anhydrase 1 (Enzyme)
Gene: CA1
UniProt: P00915 (CAH1_HUMAN)
Organism: Homo sapiens
Activity: Kd = 7.85
Action type: INHIBITOR
Assay: Binding affinity to human recombinant CA1 at 37 degC and pH 7.0 by thermal shift assay
Drug: ethoxzolamide
Target: Carbonic anhydrase 4 (Enzyme)
Gene: CA4
UniProt: P22748 (CAH4_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.03
Action type: INHIBITOR
Assay: Inhibitory activity against human carbonic anhydrase IV (hCAIV)
Drug: ethoxzolamide
Target: Carbonic anhydrase 9 (Enzyme)
Gene: CA9
UniProt: Q16790 (CAH9_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.47
Action type: INHIBITOR
Assay: Inhibitory activity against human tumor-associated transmembrane carbonic anhydrase IX.
Drug: ethoxzolamide
Target: Carbonic anhydrase 12 (Enzyme)
Gene: CA12
UniProt: O43570 (CAH12_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.66
Action type: INHIBITOR
Assay: Ki value against human carbonic anhydrase XII (hCA XII)
Drug: ethoxzolamide
Target: Carbonic anhydrase 5A, mitochondrial (Enzyme)
Gene: CA5A
UniProt: P35218 (CAH5A_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.6
Action type: INHIBITOR
Assay: Inhibitory activity against human recombinant mitochondrial isozyme CA VA
Drug: ethoxzolamide
Target: Carbonic anhydrase 5B, mitochondrial (Enzyme)
Gene: CA5B
UniProt: Q9Y2D0 (CAH5B_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.72
Action type: INHIBITOR
Assay: Inhibitory activity against human recombinant mitochondrial isozyme CA VB
Drug: ethoxzolamide
Target: Carbonic anhydrase 7 (Enzyme)
Gene: CA7
UniProt: P43166 (CAH7_HUMAN)
Organism: Homo sapiens
Activity: Kd = 9.15
Action type: INHIBITOR
Assay: Binding affinity to human recombinant CA7 at 37 degC and pH 7.0 by thermal shift assay
Drug: ethoxzolamide
Target: Carbonic anhydrase (Enzyme)
Gene: cynT
UniProt: O24855 (CYNT_HELPY)
Organism: Helicobacter pylori (strain ATCC 700392 / 26695)
Activity: Ki = 6.81
Assay: Inhibition of Helicobacter pylori recombinant CA
Drug: ethoxzolamide
Target: Carbonic anhydrase 3 (Enzyme)
Gene: CA3
UniProt: P07451 (CAH3_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.3
Action type: INHIBITOR
Assay: Inhibition of human carbonic anhydrase 3
Drug: ethoxzolamide
Target: Carbonic anhydrase 6 (Enzyme)
Gene: CA6
UniProt: P23280 (CAH6_HUMAN)
Organism: Homo sapiens
Activity: Kd = 7.48
Action type: INHIBITOR
Assay: Binding affinity to human recombinant carbonic anhydrase 6 expressed in Escherichia coli Rosetta2 (DE3) by thermal shift assay
Drug: ethoxzolamide
Target: Carbonic anhydrase 14 (Enzyme)
Gene: CA14
UniProt: Q9ULX7 (CAH14_HUMAN)
Organism: Homo sapiens
Activity: Ki = 8.6
Action type: INHIBITOR
Assay: Inhibition of human recombinant full length CA14 by stopped-flow CO2 hydration method
Drug: ethoxzolamide
Target: Carbonic anhydrase 13 (Enzyme)
Gene: Ca13
UniProt: Q9D6N1 (CAH13_MOUSE)
Organism: Mus musculus
Activity: Ki = 7.3
Assay: Inhibition of mouse full length carbonic anhydrase 13 by stopped flow CO2 hydrase assay
Drug: ethoxzolamide
Target: Carbonic anhydrase 4 (Enzyme)
Gene: CA4
UniProt: Q95323 (CAH4_BOVIN)
Organism: Bos taurus
Activity: Ki = 7.89
Assay: Inhibitory activity against bovine carbonic anhydrase IV from lung microsomes
Drug: ethoxzolamide
Target: Carbonic anhydrase (Enzyme)
UniProt: P40881 (CAH_METTE)
Organism: Methanosarcina thermophila
Activity: Ki = 6.7
Assay: Inhibitory activity against alpha carbonic anhydrase (Zn-Cam) from Methanosarcina thermophila
Drug: ethoxzolamide
Target: Carbonic anhydrase (Enzyme)
UniProt: Q50565 (Q50565_METTH)
Organism: Methanothermobacter thermautotrophicus (strain ATCC 29096 / DSM 1053 / JCM 10044 / NBRC 100330 / Delta H)
Activity: Ki = 5.27
Assay: Inhibitory activity against beta carbonic anhydrase (Cab) from Methanobacterium thermoautotrophicum
Drug: ethoxzolamide
Target: Carbonic anhydrase 13 (Enzyme)
Gene: CA13
UniProt: Q8N1Q1 (CAH13_HUMAN)
Organism: Homo sapiens
Activity: Kd = 7.89
Action type: INHIBITOR
Assay: Binding affinity to human recombinant CA13 at 37 degC and pH 7.0 by thermal shift assay
Drug: ethoxzolamide
Target: Carbonic anhydrase 15 (Enzyme)
Gene: Ca15
UniProt: Q99N23 (CAH15_MOUSE)
Organism: Mus musculus
Activity: Ki = 7.24
Assay: Inhibition of mouse recombinant carbonic anhydrase 15 by stopped flow CO2 hydrase assay
Drug: ethoxzolamide
Target: Carbonic anhydrase (Enzyme)
Gene: NCE103
UniProt: P53615 (CAN_YEAST)
Organism: Saccharomyces cerevisiae (strain ATCC 204508 / S288c)
Activity: Ki = 7.01
Assay: Inhibition of Saccharomyces cerevisiae recombinant CA expressed in Escherichia coli by stopped-flow CO2 hydrase assay
Drug: ethoxzolamide
Target: Carbonic anhydrase (Enzyme)
Gene: NCE103
UniProt: Q5AJ71 (CAN_CANAL)
Organism: Candida albicans (strain SC5314 / ATCC MYA-2876)
Activity: Ki = 8.1
Assay: Inhibition of Helicobacter pylori beta-carbonic anhydrase by stopped-flow CO2 hydration assay