AIM-Harvard/TrialPanorama-filtered huggingface dataset:
Drug: ethoxzolamide
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 = 5.51
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: ethoxzolamide
Target: Alpha carbonic anhydrase (Enzyme)
Gene: CA
UniProt: B5SU02 (B5SU02_9CNID)
Organism: Stylophora pistillata
Activity: Ki = 7.4
Assay: Inhibition of cloned Stylophora pistillata alpha-CA expressed in human HEK293 cells by stopped-flow CO2 assay
Drug: ethoxzolamide
Target: Carbonic anhydrase (Enzyme)
Gene: CA2
UniProt: C0IX24 (C0IX24_9CNID)
Organism: Stylophora pistillata
Activity: Ki = 6.98
Assay: Inhibition of Stylophora pistillata carbonic anhydrase 2 by stopped-flow CO2 hydration assay
Drug: ethoxzolamide
Target: Carbonic anhydrase 2 (Enzyme)
Gene: CAN2
UniProt: Q3I4V7 (Q3I4V7_CRYNV)
Organism: Cryptococcus neoformans var. grubii
Activity: Ki = 7.06
Assay: Inhibition of Cryptococcus neoformans Can2 preincubated for 15 mins measured for 10 to 100 sec by stopped-flow method
Drug: ethoxzolamide
Target: Astrosclerin-3 (Enzyme)
UniProt: A6YCJ1 (A6YCJ1_9METZ)
Organism: Astrosclera willeyana
Activity: Ki = 6.41
Assay: Inhibition of GST-tagged astrosclera willeyana Astrosclerin-3 expressed in Escherichia coli after 15 mins preincubation by stopped flow CO2 hydration assay
Drug: ethoxzolamide
Target: Beta-carbonic anhydrase 1 (Enzyme)
Gene: mtcA1
UniProt: P9WPJ7 (MTCA1_MYCTU)
Organism: Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Activity: Ki = 5.99
Assay: Inhibition of Mycobacterium tuberculosis recombinant carbonic anhydrase 1 encoded by Rv1284 by stopped flow CO2 hydration assay
Drug: ethoxzolamide
Target: Delta carbonic anhydrase (Unclassified)
Gene: ca1
UniProt: Q5U9J1 (Q5U9J1_THAWE)
Organism: Thalassiosira weissflogii
Activity: Ki = 7.07
Assay: Inhibition of Thalassiosira weissflogii delta carbonic anhydrase preincubated for 15 mins by stopped flow CO2 hydration assay
Drug: ethoxzolamide
Target: Carbonic anhydrase 2 (Enzyme)
Gene: mtcA2
UniProt: P9WPJ9 (MTCA2_MYCTU)
Organism: Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Activity: Ki = 7.57
Assay: Inhibition of full length Mycobacterium tuberculosis H37Rv recombinant carbonic anhydrase 2 encoded by RV3588c by stopped flow CO2 hydration assay
Drug: ethoxzolamide
Target: Carbonic anhydrase V (Enzyme)
Gene: CA5A|CA5B
UniProt: P35218|Q9Y2D0 (CAH5A_HUMAN|CAH5B_HUMAN)
Organism: Homo sapiens
Activity: Ki = 8.7
Action type: INHIBITOR
Assay: Mean inhibitory constant towards human carbonic anhydrase V determined by spectrophotometric dansylamide binding assay
Drug: ethoxzolamide
Target: Carbonic anhydrase 3 (Enzyme)
Gene: CA3
UniProt: Q3SZX4 (CAH3_BOVIN)
Organism: Bos taurus
Activity: Ki = 5.02
Assay: Inhibition of bovine carbonic anhydrase 3 using 4-nitrophenylacetate as substrate after 3 mins using spectrophotometry by Lineweaver-Burk plot analysis
Drug: ethoxzolamide
Target: Carbonic anhydrase (Enzyme)
UniProt: Q5TU56 (Q5TU56_ANOGA)
Organism: Anopheles gambiae
Activity: Ki = 6.73
Drug: ethoxzolamide
Target: Carbonic anhydrase, alpha family (Unclassified)
UniProt: Q31FD6 (Q31FD6_HYDCU)
Organism: Hydrogenovibrio crunogenus (strain XCL-2)
Activity: Ki = 8.39
Assay: Inhibition of recombinant Thiomicrospira crunogena XCL-2 carbonic anhydrase by stopped flow CO2 hydrase assay
Drug: ethoxzolamide
Target: Carbonate dehydratase (Enzyme)
UniProt: B2V8E3 (B2V8E3_SULSY)
Organism: Sulfurihydrogenibium sp. (strain YO3AOP1)
Activity: Ki = 8.03
Assay: Inhibition of recombinant Sulfurihydrogenibium yellowstonense YO3AOP1 carbonic anhydrase by stopped flow CO2 hydrase assay
Drug: ethyl biscoumacetate
Target: Vitamin K epoxide reductase complex subunit 1 (Enzyme)
Gene: VKORC1
UniProt: Q9BQB6 (VKOR1_HUMAN)
Organism: Homo sapiens
Drug: ethylestrenol
Target: Sodium-dependent serotonin transporter (Transporter)
Gene: SLC6A4
UniProt: P31645 (SC6A4_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.367
Assay: DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)
Drug: ethylestrenol
Target: Sodium-dependent noradrenaline transporter (Transporter)
Gene: SLC6A2
UniProt: P23975 (SC6A2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.682
Assay: DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)
Drug: ethylestrenol
Target: Muscarinic acetylcholine receptor M2 (GPCR)
Gene: CHRM2
UniProt: P08172 (ACM2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.983
Assay: DRUGMATRIX: Muscarinic M2 radioligand binding (ligand: [3H] N-Methylscopolamine)
Drug: ethylestrenol
Target: Estrogen receptor (Nuclear hormone receptor)
Gene: ESR1
UniProt: P03372 (ESR1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.495
Assay: DRUGMATRIX: Estrogen ERalpha radioligand binding (ligand: [3H] Estradiol)
Drug: ethylestrenol
Target: Androgen receptor (Nuclear hormone receptor)
Gene: AR
UniProt: P10275 (ANDR_HUMAN)
Organism: Homo sapiens
Action type: AGONIST
Assay: Mechanism of Action; CHEMBL1871; SINGLE PROTEIN
Drug: ethylestrenol
Target: Acetylcholinesterase (Enzyme)
Gene: ACHE
UniProt: P22303 (ACES_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.187
Assay: DRUGMATRIX: Acetylcholinesterase enzyme inhibition (substrate: acetylthiocholine)
Drug: ethylestrenol
Target: Cytochrome P450 2C19 (Enzyme)
Gene: CYP2C19
UniProt: P33261 (CP2CJ_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.889
Assay: DRUGMATRIX: CYP450, 2C19 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)
Drug: ethylestrenol
Target: Androgen receptor (Transcription factor)
Gene: Ar
UniProt: P15207 (ANDR_RAT)
Organism: Rattus norvegicus
Activity: Ki = 7.745
Assay: DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Mibolerone)
Drug: ethylestrenol
Target: Progesterone receptor (Transcription factor)
Gene: PGR
UniProt: Q690N0 (Q690N0_BOVIN)
Organism: Bos taurus
Activity: Ki = 7.585
Assay: DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020)
Drug: etynodiol
Target: Estrogen receptor (Nuclear hormone receptor)
Gene: ESR1
UniProt: P03372 (ESR1_HUMAN)
Organism: Homo sapiens
Drug: etynodiol
Target: Progesterone receptor (Nuclear hormone receptor)
Gene: PGR
UniProt: P06401 (PRGR_HUMAN)
Organism: Homo sapiens
Action type: AGONIST
Drug: etynodiol
Target: Amine oxidase [flavin-containing] A (Enzyme)
Gene: MAOA
UniProt: P21397 (AOFA_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.368
Assay: DRUGMATRIX: Monoamine Oxidase MAO-A enzyme inhibition (substrate: Kynuramine)
Drug: etynodiol
Target: Androgen receptor (Transcription factor)
Gene: Ar
UniProt: P15207 (ANDR_RAT)
Organism: Rattus norvegicus
Activity: Ki = 5.685
Assay: DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Mibolerone)
Drug: etynodiol
Target: Progesterone receptor (Transcription factor)
Gene: PGR
UniProt: Q690N0 (Q690N0_BOVIN)
Organism: Bos taurus
Activity: Ki = 7.678
Assay: DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020)
Drug: etidocaine
Target: Sodium channel protein type 5 subunit alpha (Ion channel)
Gene: SCN5A
UniProt: Q14524 (SCN5A_HUMAN)
Organism: Homo sapiens
Action type: BLOCKER
Drug: etidocaine
Target: Sodium channel protein type 2 subunit alpha (Ion channel)
Gene: SCN2A
UniProt: Q99250 (SCN2A_HUMAN)
Organism: Homo sapiens
Action type: BLOCKER
Drug: etidocaine
Target: Sodium channel protein type 4 subunit alpha (Ion channel)
Gene: SCN4A
UniProt: P35499 (SCN4A_HUMAN)
Organism: Homo sapiens
Action type: BLOCKER
Drug: etidocaine
Target: Potassium channel subfamily K member 3 (Ion channel)
Gene: KCNK3
UniProt: O14649 (KCNK3_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.41
Assay: Inhibition of human TASK1 expressed in Xenopus oocytes by whole cell voltage clamp assay
Drug: etidocaine
Target: Sodium channel protein type 2 subunit alpha (Ion channel)
Gene: Scn2a
UniProt: P04775 (SCN2A_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 6
Action type: BLOCKER
Drug: etidronic acid
Target: Type IV secretion-like conjugative transfer relaxase protein TraI (Unclassified)
Gene: traI
UniProt: B1LRJ1 (B1LRJ1_ECOSM)
Organism: Escherichia coli
Activity: Ki = 8.52
Assay: Inhibition of Escherichia coli F plasmid TraI relaxase Y16F mutant assessed as oriT ssDNA cleavage by competitive inhibition assay
Drug: etilamfetamine
Target: Sigma non-opioid intracellular receptor 1 (Membrane receptor)
Gene: SIGMAR1
UniProt: Q99720 (SGMR1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.18
Assay: Binding affinity towards sigma opioid receptor in guinea pig cerebral homogenate using [3H]DTG as radioligand
Drug: etilefrine
Target: Beta-1 adrenergic receptor (GPCR)
Gene: ADRB1
UniProt: P08588 (ADRB1_HUMAN)
Organism: Homo sapiens
Action type: AGONIST
Assay: Mechanism of Action
Drug: etizolam
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
Activity: EC50 = 8.1
Drug: etizolam
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: etizolam
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: etizolam
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: etodolac
Target: Prostaglandin G/H synthase 2 (Enzyme)
Gene: PTGS2
UniProt: P35354 (PGH2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.7
Action type: INHIBITOR
Assay: Inhibition of COX2 in human whole blood assessed as inhibition of TXB2 production by radioimmunoassay
Drug: etodolac
Target: Prostaglandin G/H synthase 1 (Enzyme)
Gene: PTGS1
UniProt: P23219 (PGH1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.577
Assay: DRUGMATRIX: Cyclooxygenase COX-1 enzyme inhibition (substrate: Arachidonic acid)
Drug: etofylline
Target: Adenosine receptor A2b (GPCR)
Gene: ADORA2B
UniProt: P29275 (AA2BR_HUMAN)
Organism: Homo sapiens
Activity: Ki = 4.76
Assay: Binding affinity at human Adenosine A2B receptor expressed in HEK293 cells, using [125I]ABOPX as radioligand
Drug: etomidate
Target: Gamma-aminobutyric acid receptor subunit alpha-1 (Ion channel)
Gene: GABRA1
UniProt: P14867 (GBRA1_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 4.96
Assay: Activity at human GABAA alpha-1-beta-2-gamma-2s receptor expressed in HEK293 cells assessed as effect on GABA-induced current at 3 uM by whole cell patch-clamp technique
Drug: etomidate
Target: Cytochrome P450 11B1, mitochondrial (Enzyme)
Gene: CYP11B1
UniProt: P15538 (C11B1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 9.3
Assay: Inhibition of human CYP11B1 expressed in chinese hamster V79 cells
Drug: etomidate
Target: Cytochrome P450 11B2, mitochondrial (Enzyme)
Gene: CYP11B2
UniProt: P19099 (C11B2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 10
Assay: Inhibition of human CYP11B2 expressed in hamster V79MZ cells using 11-deoxycorticosterone substrate
Drug: etomidate
Target: Acetylcholine receptor subunit delta (Ion channel)
Gene: chrnd
UniProt: P02718 (ACHD_TORCA)
Organism: Torpedo californica
Activity: IC50 = 4.3
Assay: Inhibition of recombinant embryonic mouse muscle Nicotinic Acetylcholine Receptor (3 oocytes)
Drug: etomidate
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
Activity: EC50 = 5.456
Action type: POSITIVE MODULATOR
Drug: etomidate
Target: GABA A receptor alpha-2/beta-2/gamma-2 (Ion channel)
Gene: GABRG2|GABRA2|GABRB2
UniProt: P18507|P47869|P47870 (GBRG2_HUMAN|GBRA2_HUMAN|GBRB2_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 5.46
Assay: Effective concentration against GABA-evoked chloride currents mediated by human Gamma-aminobutyric acid GABA-A receptor alpha2-beta2-gamma2L expressed in Xenopus oocytes
Drug: etonogestrel
Target: Estrogen receptor (Nuclear hormone receptor)
Gene: ESR1
UniProt: P03372 (ESR1_HUMAN)
Organism: Homo sapiens
Drug: etonogestrel
Target: Progesterone receptor (Nuclear hormone receptor)
Gene: PGR
UniProt: P06401 (PRGR_HUMAN)
Organism: Homo sapiens
Action type: AGONIST
Drug: etonogestrel
Target: Sex hormone-binding globulin (Secreted)
Gene: SHBG
UniProt: P04278 (SHBG_HUMAN)
Organism: Homo sapiens
Activity: Kd = 8.23
Assay: Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin
Drug: etoperidone
Target: D(2) dopamine receptor (GPCR)
Gene: DRD2
UniProt: P14416 (DRD2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.638
Drug: etoperidone
Target: Sodium-dependent serotonin transporter (Transporter)
Gene: SLC6A4
UniProt: P31645 (SC6A4_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.051
Drug: etoperidone
Target: 5-hydroxytryptamine receptor 1A (GPCR)
Gene: HTR1A
UniProt: P08908 (5HT1A_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.071
Drug: etoperidone
Target: Histamine H1 receptor (GPCR)
Gene: HRH1
UniProt: P35367 (HRH1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.509
Drug: etoposide
Target: Multidrug resistance protein 1 (Transporter)
Gene: ABCB1
UniProt: P08183 (MDR1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 3.282
Drug: etoposide
Target: Canalicular multispecific organic anion transporter 1 (Transporter)
Gene: ABCC2
UniProt: Q92887 (MRP2_HUMAN)
Organism: Homo sapiens
Activity: Km = 3.21
Drug: etoposide
Target: Nuclear receptor subfamily 1 group I member 2 (Nuclear hormone receptor)
Gene: NR1I2
UniProt: O75469 (NR1I2_HUMAN)
Organism: Homo sapiens
Drug: etoposide
Target: DNA topoisomerase 2-alpha (Enzyme)
Gene: TOP2A
UniProt: P11388 (TOP2A_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.3
Action type: INHIBITOR
Assay: Note: enzyme subunit is not specified in the referenced article
Drug: etoposide
Target: Multidrug resistance-associated protein 1 (Transporter)
Gene: ABCC1
UniProt: P33527 (MRP1_HUMAN)
Organism: Homo sapiens
Drug: etoposide
Target: ATP-binding cassette sub-family G member 2 (Transporter)
Gene: ABCG2
UniProt: Q9UNQ0 (ABCG2_HUMAN)
Organism: Homo sapiens
Drug: etoposide
Target: Multidrug resistance-associated protein 6 (Transporter)
Gene: ABCC6
UniProt: O95255 (MRP6_HUMAN)
Organism: Homo sapiens
Drug: etoposide
Target: Canalicular multispecific organic anion transporter 2 (Transporter)
Gene: ABCC3
UniProt: O15438 (MRP3_HUMAN)
Organism: Homo sapiens
Drug: etoposide
Target: DNA topoisomerase 2-beta (Enzyme)
Gene: TOP2B
UniProt: Q02880 (TOP2B_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.16
Assay: Inhibition of human DNA topoisomerase 2beta after 2 hrs by ELISA
Drug: etoposide
Target: Arachidonate 15-lipoxygenase (Enzyme)
Gene: ALOX15
UniProt: P12530 (LOX15_RABIT)
Organism: Oryctolagus cuniculus
Activity: IC50 = 5.497
Assay: DRUGMATRIX: Lipoxygenase 15-LO enzyme inhibition (substrate: Linoleic acid)
Drug: etoricoxib
Target: Prostaglandin G/H synthase 2 (Enzyme)
Gene: PTGS2
UniProt: P35354 (PGH2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.1
Action type: INHIBITOR
Drug: etoricoxib
Target: Prostaglandin G/H synthase 1 (Enzyme)
Gene: PTGS1
UniProt: P23219 (PGH1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.92
Assay: Inhibition of Prostaglandin G/H synthase 1 was measured by the inhibition of PGE-2 produced by microsomes from U937 cells at subsaturating arachidonic acid conc.
Drug: etoricoxib
Target: Prostaglandin E2 receptor EP2 subtype (GPCR)
Gene: PTGER2
UniProt: P43116 (PE2R2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.102
Drug: etoricoxib
Target: Mitogen-activated protein kinase 14 (Kinase)
Gene: MAPK14
UniProt: Q16539 (MK14_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.28
Assay: Inhibitory concentration against p38 alpha MAP kinase calculated by CoMFA model; FlexX score = -18.6kcal/mol
Drug: etoricoxib
Target: Prostaglandin G/H synthase 2 (Enzyme)
Gene: PTGS2
UniProt: P79208 (PGH2_SHEEP)
Organism: Ovis aries
Activity: IC50 = 6.64
Assay: Inhibition of ovine COX2 using arachidonic acid as substrate preincubated for 10 mins followed by substrate addition and measured after 2 mins by ELISA
Drug: etravirine
Target: Multidrug resistance protein 1 (Transporter)
Gene: ABCB1
UniProt: P08183 (MDR1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.12
Assay: Inhibition of MDR1 expressed in MDCK2 cells assessed as inhibition of cell proliferation by calcein and pheophorbide A efflux assays
Drug: etravirine
Target: Canalicular multispecific organic anion transporter 1 (Transporter)
Gene: ABCC2
UniProt: Q92887 (MRP2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.11
Assay: Inhibition of MRP2 expressed in MDCK2 cells assessed as cell growth inhibition by calcein and pheophorbide A efflux assays
Drug: etravirine
Target: Multidrug resistance-associated protein 1 (Transporter)
Gene: ABCC1
UniProt: P33527 (MRP1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.07
Assay: Inhibition of MRP1 expressed in MDCK2 cells assessed as cell growth inhibition by calcein and pheophorbide A efflux assays
Drug: etravirine
Target: ATP-binding cassette sub-family G member 2 (Transporter)
Gene: ABCG2
UniProt: Q9UNQ0 (ABCG2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.22
Assay: Inhibition of BCRP expressed in MDCK2 cells assessed as cell growth inhibition by calcein and pheophorbide A efflux assays
Drug: etravirine
Target: Canalicular multispecific organic anion transporter 2 (Transporter)
Gene: ABCC3
UniProt: O15438 (MRP3_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.29
Assay: Inhibition of MRP3 expressed in MDCK2 cells assessed as cell growth inhibition by calcein and pheophorbide A efflux assays
Drug: etravirine
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: IC50 = 9
Drug: etravirine
Target: Reverse transcriptase/RNaseH (Enzyme)
Gene: pol
UniProt: Q72547 (Q72547_9HIV1)
Organism: Human immunodeficiency virus 1
Action type: INHIBITOR
Assay: Mechanism of Action; CHEMBL247; SINGLE PROTEIN
Drug: etravirine
Target: Cruzipain (Enzyme)
UniProt: P25779 (CYSP_TRYCR)
Organism: Trypanosoma cruzi
Activity: IC50 = 5.4
Assay: Inhibition of Trypanosoma cruzi cruzaine preincubated for 5 mins before substrate addition by fluorescence assay in absence of Triton X-100
Drug: etravirine
Target: Reverse transcriptase (Enzyme)
Gene: reverse transcriptas
UniProt: Q9WKE8 (Q9WKE8_9HIV1)
Organism: Human immunodeficiency virus 1
Activity: IC50 = 8
Drug: etravirine
Target: Reverse transcriptase protein (Unclassified)
Gene: reverse transcriptase
UniProt: Q9WJQ2 (Q9WJQ2_9HIV1)
Organism: Human immunodeficiency virus 1
Activity: IC50 = 8.89
Assay: Inhibition of HIV1 isolate R8 reverse transcriptase K103N mutant after 90 mins by electrochemiluminescence analysis
Drug: etretinate
Target: Retinoic acid receptor alpha (Nuclear hormone receptor)
Gene: RARA
UniProt: P10276 (RARA_HUMAN)
Organism: Homo sapiens
Action type: AGONIST
Drug: etretinate
Target: Retinoic acid receptor RXR-gamma (Nuclear hormone receptor)
Gene: RXRG
UniProt: P48443 (RXRG_HUMAN)
Organism: Homo sapiens
Action type: AGONIST
Drug: etryptamine
Target: Sodium-dependent serotonin transporter (Transporter)
Gene: Slc6a4
UniProt: P31652 (SC6A4_RAT)
Organism: Rattus norvegicus
Activity: EC50 = 7.63
Drug: etryptamine
Target: Sodium-dependent dopamine transporter (Transporter)
Gene: Slc6a3
UniProt: P23977 (SC6A3_RAT)
Organism: Rattus norvegicus
Activity: EC50 = 6.63
Drug: etryptamine
Target: Transporter (Transporter)
Gene: Slc6a2
UniProt: Q9WTR4 (Q9WTR4_RAT)
Organism: Rattus norvegicus
Activity: EC50 = 6.19
Drug: everolimus
Target: Multidrug resistance protein 1 (Transporter)
Gene: ABCB1
UniProt: P08183 (MDR1_HUMAN)
Organism: Homo sapiens
Drug: everolimus
Target: Peptidyl-prolyl cis-trans isomerase FKBP1A (Enzyme)
Gene: FKBP1A
UniProt: P62942 (FKB1A_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8.26
Action type: INHIBITOR
Drug: everolimus
Target: Serine/threonine-protein kinase mTOR (Kinase)
Gene: MTOR
UniProt: P42345 (MTOR_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8.7
Action type: INHIBITOR
Drug: exemestane
Target: Androgen receptor (Nuclear hormone receptor)
Gene: AR
UniProt: P10275 (ANDR_HUMAN)
Organism: Homo sapiens
Drug: exemestane
Target: Aromatase (Enzyme)
Gene: CYP19A1
UniProt: P11511 (CP19A_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.692
Action type: INHIBITOR
Drug: exenatide
Target: Glucagon-like peptide 1 receptor (GPCR)
Gene: GLP1R
UniProt: P43220 (GLP1R_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 9.18
Action type: AGONIST
Assay: Displacement of [125I]GLP1 from human GLP1R expressed in CHOK1 cells
Drug: exenatide
Target: Glucagon-like peptide 1 receptor (GPCR)
Gene: Glp1r
UniProt: P32301 (GLP1R_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 9.85
Assay: Displacement of [125I]exendin-4 from GLP1 receptor in rat RINm5F cells after 2 hrs by gamma counting
Drug: ezetimibe
Target: Niemann-Pick C1-like protein 1 (Membrane other)
Gene: NPC1L1
UniProt: Q9UHC9 (NPCL1_HUMAN)
Organism: Homo sapiens
Activity: Kd = 6.66
Action type: ANTAGONIST
Assay: Measure of ezetimibe glucuronide binding to NPC1L1
Drug: ezetimibe
Target: Niemann-Pick C1-like protein 1 (Unclassified)
Gene: Npc1l1
UniProt: Q6T3U3 (NPCL1_RAT)
Organism: Rattus norvegicus
Activity: Ki = 6.7
Assay: Displacement of [3H]ezetimibe-glucuronide from NPC1L1 in Sprague-Dawley rat brush border membrane
Drug: fadrozole
Target: Cytochrome P450 11B1, mitochondrial (Enzyme)
Gene: CYP11B1
UniProt: P15538 (C11B1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8.2
Action type: INHIBITOR
Assay: Inhibition of human CYP11B1 expressed in V79MZh cells using [14C]-11-deoxycorticosterone as substrate by HPTLC/phosphoimaging method
Drug: fadrozole
Target: Cytochrome P450 11B2, mitochondrial (Enzyme)
Gene: CYP11B2
UniProt: P19099 (C11B2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 9.1
Action type: INHIBITOR
Assay: Inhibition of human CYP11B2 expressed in V79MZh cells using [14C]-11-deoxycorticosterone as substrate by HPTLC/phosphoimaging method
Drug: fadrozole
Target: Cytochrome P450 11B2, mitochondrial (Enzyme)
Gene: Cyp11b2
UniProt: P15539 (C11B2_MOUSE)
Organism: Mus musculus
Activity: IC50 = 6.72
Drug: fadrozole
Target: Aromatase (Enzyme)
Gene: CYP19A1
UniProt: P11511 (CP19A_HUMAN)
Organism: Homo sapiens
Activity: Ki = 10.3
Action type: INHIBITOR
Assay: Competitive inhibition of human aromatase using dibenzylfluorescein substrate after 10 mins preincubation measured every 10 sec for 5 mins by Michaelis-Menten and Dixon plot analysis
Drug: famciclovir
Target: DNA polymerase catalytic subunit (Enzyme)
UniProt: P04293 (DPOL_HHV11)
Organism: Human herpesvirus 1 (strain 17)
Action type: INHIBITOR
Drug: famciclovir
Target: DNA polymerase catalytic subunit (Enzyme)
UniProt: P09252 (DPOL_VZVD)
Organism: Varicella-zoster virus (strain Dumas)
Drug: famotidine
Target: Histamine H2 receptor (GPCR)
Gene: HRH2
UniProt: P25021 (HRH2_HUMAN)
Organism: Homo sapiens
Activity: Kd = 7.93
Action type: ANTAGONIST
Drug: famotidine
Target: Carbonic anhydrase 2 (Enzyme)
Gene: CA2
UniProt: P00918 (CAH2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.24
Assay: Inhibition of recombinant human CA2 preincubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red based stopped-flow CO2 hydration assay
Drug: famotidine
Target: Carbonic anhydrase 1 (Enzyme)
Gene: CA1
UniProt: P00915 (CAH1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.04
Assay: Inhibition of recombinant human CA1 preincubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red based stopped-flow CO2 hydration assay
Drug: famotidine
Target: Carbonic anhydrase 4 (Enzyme)
Gene: CA4
UniProt: P22748 (CAH4_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.03
Assay: Inhibition of recombinant human CA4 preincubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red based stopped-flow CO2 hydration assay
Drug: famotidine
Target: Carbonic anhydrase 9 (Enzyme)
Gene: CA9
UniProt: Q16790 (CAH9_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.9
Assay: Inhibition of recombinant human CA9 preincubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red based stopped-flow CO2 hydration assay