AIM-Harvard/TrialPanorama-filtered huggingface dataset:
Drug: alendronic acid
Target: Farnesyl pyrophosphate synthase (Enzyme)
UniProt: Q0GKD7 (Q0GKD7_LEIDO)
Organism: Leishmania donovani
Activity: Ki = 7.02
Assay: Binding affinity towards Farnesyl diphosphate synthase from leishmania major
Drug: alendronic acid
Target: Protein farnesyltransferase subunit beta (Enzyme)
Gene: FNTB
UniProt: P49356 (FNTB_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.301
Drug: alendronic acid
Target: Farnesyl pyrophosphate synthase (Enzyme)
Gene: Fdps
UniProt: P05369 (FPPS_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 5.77
Assay: Inhibition of farnesyl diphosphate synthase in Sprague-Dawley rat liver S100 fraction using MVA as substrate preincubated for 10 min followed by MVA addition by HPLC analysis
Drug: alexidine
Target: Toll-like receptor 9 (Membrane receptor)
Gene: TLR9
UniProt: Q9NR96 (TLR9_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.21
Assay: PUBCHEM_BIOASSAY: Fluorescence-based cell-based high throughput dose response assay for inhibitors of TLR9-MyD88 binding. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504734, AID504750, AID540250, AID540251]
Drug: alexidine
Target: Replicase polyprotein 1ab (Enzyme)
Gene: rep
UniProt: P0C6X7 (R1AB_CVHSA)
Organism: Human SARS coronavirus
Activity: IC50 = 4.75
Assay: Inhibition of SARS coronavirus 3C-like protease using 5-FAM-TSATLQSGFRK(QXL520)-NH2 as substrate preincubated for 5 mins followed by substrate addition measured after 6 mins by FRET assay in presence of GSH
Drug: alexidine
Target: Beta-lactamase (Enzyme)
Gene: bla(tem-2)
UniProt: Q932Y6 (Q932Y6_PSEAI)
Organism: Pseudomonas aeruginosa
Activity: IC50 = 5.28
Assay: PUBCHEM_BIOASSAY: Counterscreen for inhibitors of TLR9-MyD88 binding: fluorescence-based cell-based high throughput dose response assay to identify non-selective inhibitors of the beta-lactamase enzyme (BLA). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504734, AID504750, AID540250, AID540251]
Drug: alexidine
Target: Phosphatidylglycerophosphatase and protein-tyrosine phosphatase 1 (Enzyme)
Gene: PTPMT1
UniProt: Q8WUK0 (PTPM1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.97
Action type: INHIBITOR
Assay: Activity measured in the presence of substrate O-MFP in an in vitro assay
Drug: alfentanil
Target: Mu-type opioid receptor (GPCR)
Gene: OPRM1
UniProt: P35372 (OPRM_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 8.5
Action type: AGONIST
Drug: alfentanil
Target: Multidrug resistance protein 1 (Transporter)
Gene: ABCB1
UniProt: P08183 (MDR1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 3.951
Drug: alfentanil
Target: Mu-type opioid receptor (GPCR)
Gene: Oprm1
UniProt: P33535 (OPRM_RAT)
Organism: Rattus norvegicus
Activity: Ki = 8.09
Assay: Ability to displace [3H]naloxone from the Opioid receptor mu 1 isolated from the rat brain membranes.
Drug: alfentanil
Target: Mu-type opioid receptor (GPCR)
Gene: OPRM1
UniProt: P97266 (OPRM_CAVPO)
Organism: Cavia porcellus
Activity: IC50 = 7.82
Assay: In vitro binding activity against opioid receptor mu using [3H]DAGO) as radioligand
Drug: alfentanil
Target: Opioid receptor (GPCR)
Gene: Oprd1|Oprm1|Oprk1|Sigmar1
UniProt: P33533|P33535|P34975|Q9R0C9 (OPRD_RAT|OPRM_RAT|OPRK_RAT|SGMR1_RAT)
Organism: Rattus norvegicus
Activity: Ki = 8.09
Assay: In vitro affinity to displace [3H]naloxone from opiate receptor in freshly prepared rat brain homogenates
Drug: alfuzosin
Target: Alpha-1A adrenergic receptor (GPCR)
Gene: ADRA1A
UniProt: P35348 (ADA1A_HUMAN)
Organism: Homo sapiens
Activity: Ki = 8.09
Action type: ANTAGONIST
Assay: Binding affinity against Alpha-1A adrenergic receptor from human clone
Drug: alfuzosin
Target: Alpha-1D adrenergic receptor (GPCR)
Gene: ADRA1D
UniProt: P25100 (ADA1D_HUMAN)
Organism: Homo sapiens
Activity: Ki = 8.44
Action type: ANTAGONIST
Assay: Binding affinity against Alpha-1D adrenergic receptor, from human clones.
Drug: alfuzosin
Target: Alpha-1B adrenergic receptor (GPCR)
Gene: ADRA1B
UniProt: P35368 (ADA1B_HUMAN)
Organism: Homo sapiens
Activity: Ki = 8.55
Action type: ANTAGONIST
Assay: Binding affinity against Alpha-1B adrenergic receptor from human clone
Drug: alfuzosin
Target: Acetylcholinesterase (Enzyme)
Gene: ACHE
UniProt: P22303 (ACES_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.75
Assay: Inhibition of AChE (unknown origin)
Drug: alfuzosin
Target: Solute carrier family 22 member 1 (Transporter)
Gene: SLC22A1
UniProt: O15245 (S22A1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.83
Assay: Inhibition of human OCT1 expressed in HEK293 cells assessed as decrease in uptake of ASP+ after 2 mins by fluorescence assay
Drug: alfuzosin
Target: Alpha-1D adrenergic receptor (GPCR)
Gene: Adra1d
UniProt: P23944 (ADA1D_RAT)
Organism: Rattus norvegicus
Activity: Ki = 8.46
Assay: Binding affinity against Alpha-1D adrenergic receptor, from rat clones.
Drug: alfuzosin
Target: Alpha-1A adrenergic receptor (GPCR)
Gene: ADRA1A
UniProt: P18130 (ADA1A_BOVIN)
Organism: Bos taurus
Activity: Ki = 7.64
Assay: Binding affinity against Alpha-1A adrenergic receptor from bovine clone
Drug: aliskiren
Target: Cytochrome P450 3A4 (Enzyme)
Gene: CYP3A4
UniProt: P08684 (CP3A4_HUMAN)
Organism: Homo sapiens
Activity: Km = 4.61
Drug: aliskiren
Target: Multidrug resistance protein 1 (Transporter)
Gene: ABCB1
UniProt: P08183 (MDR1_HUMAN)
Organism: Homo sapiens
Activity: Km = 5.678
Drug: aliskiren
Target: Renin (Enzyme)
Gene: REN
UniProt: P00797 (RENI_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 9.22
Action type: INHIBITOR
Drug: aliskiren
Target: Renin (Enzyme)
Gene: REN
UniProt: Q9TSZ1 (RENI_CALJA)
Organism: Callithrix jacchus
Activity: IC50 = 8.7
Assay: Inhibition of renin in marmoset plasma
Drug: aliskiren
Target: Renin (Enzyme)
Gene: REN
UniProt: Q6DLS0 (RENI_MACFA)
Organism: Macaca fascicularis
Activity: IC50 = 8.1
Assay: Inhibition of cynomolgus monkey plasma renin activity after 60 mins by competitive RIA
Drug: aliskiren
Target: Renin (Enzyme)
Gene: Ren1
UniProt: P08424 (RENI_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 7.1
Assay: Inhibition of rat renin
Drug: aliskiren
Target: Renin-1 (Enzyme)
Gene: Ren1
UniProt: P06281 (RENI1_MOUSE)
Organism: Mus musculus
Activity: IC50 = 8.35
Assay: Inhibition of mouse renin
Drug: aliskiren
Target: Renin (Enzyme)
UniProt: Q7M3D2 (Q7M3D2_RABIT)
Organism: Oryctolagus cuniculus
Activity: IC50 = 7.96
Assay: Inhibition of rabbit renin
Drug: aliskiren
Target: Protease (Enzyme)
Gene: protease
UniProt: Q9YQ12 (Q9YQ12_9HIV1)
Organism: Human immunodeficiency virus 1
Activity: Ki = 7.12
Assay: Inhibition of HIV1 recombinant protease using Lys-Ala-Arg-Val-Nle-Nph-Glu-Ala-Nle-NH2 as substrate by spectrophotometric analysis
Drug: aliskiren
Target: Renin (Enzyme)
Gene: REN
UniProt: Q6DLW5 (RENI_MACMU)
Organism: Macaca mulatta
Activity: IC50 = 8.92
Assay: Inhibition of renin in monkey plasma
Drug: alizapride
Target: D(2) dopamine receptor (GPCR)
Gene: DRD2
UniProt: P14416 (DRD2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.15
Action type: ANTAGONIST
Drug: alizapride
Target: Alpha-2C adrenergic receptor (GPCR)
Gene: ADRA2C
UniProt: P18825 (ADA2C_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7
Drug: alizapride
Target: D(2) dopamine receptor (GPCR)
Gene: Drd2
UniProt: P61169 (DRD2_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 6.7
Assay: In vitro antagonistic activity against Dopamine receptor D2 was evaluated for the inhibition of [3H]spiperone binding
Drug: allopurinol
Target: Xanthine dehydrogenase/oxidase (Enzyme)
Gene: XDH
UniProt: P47989 (XDH_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.15
Action type: INHIBITOR
Assay: Inhibitory activity against Xanthine Oxidase
Drug: allopurinol
Target: Hypoxanthine-guanine phosphoribosyltransferase (Enzyme)
Gene: HPRT1
UniProt: P00492 (HPRT_HUMAN)
Organism: Homo sapiens
Drug: allopurinol
Target: Xanthine dehydrogenase/oxidase (Enzyme)
Gene: XDH
UniProt: P80457 (XDH_BOVIN)
Organism: Bos taurus
Activity: Ki = 6
Assay: Mixed-type inhibition of bovine milk xanthine oxidase using xanthine as substrate by Lineweaver-Burk plot analysis
Drug: allopurinol
Target: Xanthine dehydrogenase/oxidase (Enzyme)
Gene: Xdh
UniProt: P22985 (XDH_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 6.12
Assay: Inhibition of rat liver xanthine oxidase by spectrophotometry
Drug: allopurinol
Target: Shiga toxin subunit A (Unclassified)
Gene: stxA
UniProt: Q9FBI2 (STXA_SHIDY)
Organism: Shigella dysenteriae
Activity: IC50 = 4.62
Assay: Inhibition of Shigella dysenteriae type 1 Shiga toxin A subunit in African green monkey Vero cells assessed as inhibition of Stx-induced cytotoxicity pre-treated with compound for 1 hr followed by Stx exposure for 24 hrs by neutral red uptake assay
Drug: almotriptan
Target: 5-hydroxytryptamine receptor 1B (GPCR)
Gene: HTR1B
UniProt: P28222 (5HT1B_HUMAN)
Organism: Homo sapiens
Activity: Ki = 8
Action type: AGONIST
Drug: almotriptan
Target: 5-hydroxytryptamine receptor 1D (GPCR)
Gene: HTR1D
UniProt: P28221 (5HT1D_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.5
Action type: AGONIST
Drug: almotriptan
Target: 5-hydroxytryptamine receptor 1F (GPCR)
Gene: HTR1F
UniProt: P30939 (5HT1F_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.2
Action type: AGONIST
Drug: alosetron
Target: Potassium voltage-gated channel subfamily H member 2 (Ion channel)
Gene: KCNH2
UniProt: Q12809 (KCNH2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.64
Assay: Inhibition of human ERG expressed in HEK cells by patch clamp technique
Drug: alosetron
Target: 5-hydroxytryptamine receptor 2B (GPCR)
Gene: HTR2B
UniProt: P41595 (5HT2B_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.194
Assay: DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)
Drug: alosetron
Target: 5-hydroxytryptamine receptor 3A (Ion channel)
Gene: HTR3A
UniProt: P46098 (5HT3A_HUMAN)
Organism: Homo sapiens
Activity: Ki = 9.3
Action type: ANTAGONIST
Assay: Binding affinity to human HT3A receptor
Drug: alosetron
Target: Cytochrome P450 1A2 (Enzyme)
Gene: CYP1A2
UniProt: P05177 (CP1A2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.218
Assay: DRUGMATRIX: CYP450, 1A2 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)
Drug: alfacalcidol
Target: Sodium-dependent noradrenaline transporter (Transporter)
Gene: SLC6A2
UniProt: P23975 (SC6A2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6
Assay: DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)
Drug: alfacalcidol
Target: Vitamin D3 receptor (Nuclear hormone receptor)
Gene: VDR
UniProt: P11473 (VDR_HUMAN)
Organism: Homo sapiens
Action type: AGONIST
Drug: alfaxalone
Target: Sodium- and chloride-dependent GABA transporter 1 (Transporter)
Gene: SLC6A1
UniProt: P30531 (SC6A1_HUMAN)
Organism: Homo sapiens
Drug: alfaxalone
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 = 5.699
Drug: alfaxalone
Target: GABA-A receptor; anion channel (Ion channel)
Gene: Gabrp|Gabrb1|Gabrd|Gabrg2|Gabra5|Gabra3|Gabrg1|Gabra2|Gabra4|Gabrg3|Gabra6|Gabra1|Gabrb3|Gabrb2|Gabrq|Gabre
UniProt: O09028|P15431|P18506|P18508|P19969|P20236|P23574|P23576|P28471|P28473|P30191|P62813|P63079|P63138|Q91ZM7|Q9ES14 (GBRP_RAT|GBRB1_RAT|GBRD_RAT|GBRG2_RAT|GBRA5_RAT|GBRA3_RAT|GBRG1_RAT|GBRA2_RAT|GBRA4_RAT|GBRG3_RAT|GBRA6_RAT|GBRA1_RAT|GBRB3_RAT|GBRB2_RAT|Q91ZM7_RAT|GBRE_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 6.52
Assay: Inhibition of [35S]TBPS binding to GABA-A receptor in rat cerebral cortex.
Drug: alfaxalone
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 = 5.7
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: alpidem
Target: Translocator protein (Transporter)
Gene: TSPO
UniProt: P30536 (TSPO_HUMAN)
Organism: Homo sapiens
Activity: Ki = 9.3
Assay: Inhibition of TSPO (unknown origin)
Drug: alpidem
Target: Bile salt export pump (Transporter)
Gene: ABCB11
UniProt: O95342 (ABCBB_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.04
Drug: alpidem
Target: Translocator protein (Membrane receptor)
Gene: Tspo
UniProt: P16257 (TSPO_RAT)
Organism: Rattus norvegicus
Activity: Ki = 9.3
Assay: Displacement of [3H]PK 11195 from peripheral-type benzodiazepine receptor in rat kidney mitochondrial membranes
Drug: alpidem
Target: GABA-A receptor; anion channel (Ion channel)
Gene: Gabrp|Gabrb1|Gabrd|Gabrg2|Gabra5|Gabra3|Gabrg1|Gabra2|Gabra4|Gabrg3|Gabra6|Gabra1|Gabrb3|Gabrb2|Gabrq|Gabre
UniProt: O09028|P15431|P18506|P18508|P19969|P20236|P23574|P23576|P28471|P28473|P30191|P62813|P63079|P63138|Q91ZM7|Q9ES14 (GBRP_RAT|GBRB1_RAT|GBRD_RAT|GBRG2_RAT|GBRA5_RAT|GBRA3_RAT|GBRG1_RAT|GBRA2_RAT|GBRA4_RAT|GBRG3_RAT|GBRA6_RAT|GBRA1_RAT|GBRB3_RAT|GBRB2_RAT|Q91ZM7_RAT|GBRE_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 7.59
Assay: Displacement of [3H]flunitrazepam from rat brain GABA-A Benzodiazepine receptor
Drug: alpidem
Target: Bile salt export pump (Transporter)
Gene: Abcb11
UniProt: O70127 (ABCBB_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 4.64
Drug: alpidem
Target: Translocator protein (Unclassified)
Gene: TSPO
UniProt: P30536 (TSPO_HUMAN)
Organism: Homo sapiens
Activity: Ki = 9.3
Assay: Inhibition of TSPO (unknown origin)
Drug: alpidem
Target: Gamma-aminobutyric acid receptor subunit alpha-1 (Ion channel)
Gene: GABRA1
UniProt: P14867 (GBRA1_HUMAN)
Organism: Homo sapiens
Action type: PARTIAL AGONIST
Assay: MoA - selective towards GABA-A alpha1 subunit
Drug: alprazolam
Target: Cytochrome P450 3A4 (Enzyme)
Gene: CYP3A4
UniProt: P08684 (CP3A4_HUMAN)
Organism: Homo sapiens
Activity: Ki = 3.85
Drug: alprazolam
Target: Platelet-activating factor receptor (GPCR)
Gene: PTAFR
UniProt: P25105 (PTAFR_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.457
Drug: alprazolam
Target: Cholecystokinin receptor type A (GPCR)
Gene: Cckar
UniProt: P30551 (CCKAR_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 4.19
Assay: Displacement of [125I]CCK from Cholecystokinin receptor of rat pancreas
Drug: alprazolam
Target: Bromodomain-containing protein 4 (Unclassified)
Gene: BRD4
UniProt: O60885 (BRD4_HUMAN)
Organism: Homo sapiens
Activity: Kd = 5.61
Assay: Binding affinity to BRD4-BD1 by isothermal titration calorimetry
Drug: alprazolam
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 = 7.432
Action type: POSITIVE ALLOSTERIC MODULATOR
Drug: alprazolam
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
Activity: EC50 = 7.921
Action type: POSITIVE ALLOSTERIC MODULATOR
Drug: alprazolam
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
Activity: EC50 = 7.161
Action type: POSITIVE ALLOSTERIC MODULATOR
Drug: alprazolam
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
Activity: EC50 = 8
Action type: POSITIVE ALLOSTERIC MODULATOR
Drug: alprenolol
Target: 5-hydroxytryptamine receptor 1A (GPCR)
Gene: HTR1A
UniProt: P08908 (5HT1A_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.67
Assay: Displacement of [3H]-OH-DPAT from human recombinant 5-HT1A receptor measured after 60 mins by scintillation counter method
Drug: alprenolol
Target: 5-hydroxytryptamine receptor 2A (GPCR)
Gene: HTR2A
UniProt: P28223 (5HT2A_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.292
Drug: alprenolol
Target: Beta-3 adrenergic receptor (GPCR)
Gene: ADRB3
UniProt: P13945 (ADRB3_HUMAN)
Organism: Homo sapiens
Activity: Kd = 6.86
Assay: Displacement of [3H]-CGP 12177 from human beta-3 adrenergic receptor expressed in CHOK1 cells
Drug: alprenolol
Target: 5-hydroxytryptamine receptor 1A (GPCR)
Gene: Htr1a
UniProt: P19327 (5HT1A_RAT)
Organism: Rattus norvegicus
Activity: Ki = 6.93
Drug: alprenolol
Target: Squalene synthase (Enzyme)
Gene: Fdft1
UniProt: Q02769 (FDFT_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 5.38
Assay: Inhibition of rat microsomal squalene synthase
Drug: alprenolol
Target: Beta-2 adrenergic receptor (GPCR)
Gene: ADRB2
UniProt: Q28044 (ADRB2_BOVIN)
Organism: Bos taurus
Activity: IC50 = 8.53
Assay: Compound was tested for inhibition of [3H]dihydroalprenolol radioligand binding to Beta-2 adrenergic receptor in calf lung membranes.
Drug: alprenolol
Target: Beta-1 adrenergic receptor (GPCR)
Gene: ADRB1
UniProt: P08588 (ADRB1_HUMAN)
Organism: Homo sapiens
Activity: Kd = 9.678
Action type: ANTAGONIST
Assay: radioligand  [3H]CGP12177  0.15nM competition binding; human recombinant beta-adrenoreceptors in Sf9 cells
Drug: alprenolol
Target: Beta-2 adrenergic receptor (GPCR)
Gene: ADRB2
UniProt: P07550 (ADRB2_HUMAN)
Organism: Homo sapiens
Activity: Kd = 9.658
Action type: ANTAGONIST
Assay: radioligand  [3H]CGP12177  0.15nM competition binding; human recombinant beta-adrenoceptors in Sf9 cells
Drug: alprostadil
Target: Prostaglandin E2 receptor EP1 subtype (GPCR)
Gene: PTGER1
UniProt: P34995 (PE2R1_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 6.8
Action type: AGONIST
Drug: alprostadil
Target: Prostaglandin E2 receptor EP3 subtype (GPCR)
Gene: PTGER3
UniProt: P43115 (PE2R3_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 9
Action type: AGONIST
Drug: alprostadil
Target: Prostacyclin receptor (GPCR)
Gene: PTGIR
UniProt: P43119 (PI2R_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 7.5
Drug: alprostadil
Target: Prostaglandin E2 receptor EP2 subtype (GPCR)
Gene: PTGER2
UniProt: P43116 (PE2R2_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 8
Action type: AGONIST
Drug: alprostadil
Target: Prostaglandin E2 receptor EP4 subtype (GPCR)
Gene: PTGER4
UniProt: P35408 (PE2R4_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 8.8
Action type: AGONIST
Drug: alprostadil
Target: Prostaglandin D2 receptor (GPCR)
Gene: PTGDR
UniProt: Q13258 (PD2R_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 7.3
Drug: alprostadil
Target: Prostaglandin E2 receptor EP1 subtype (GPCR)
Gene: Ptger1
UniProt: P35375 (PE2R1_MOUSE)
Organism: Mus musculus
Activity: Ki = 8.22
Assay: Affinity for mouse Prostanoid EP1 receptor expressed in CHO cells
Drug: alprostadil
Target: Prostaglandin E2 receptor EP2 subtype (GPCR)
Gene: Ptger2
UniProt: Q62053 (PE2R2_MOUSE)
Organism: Mus musculus
Activity: Ki = 7.66
Assay: Affinity for mouse Prostanoid EP2 receptor expressed in CHO cells
Drug: alprostadil
Target: Prostaglandin E2 receptor EP3 subtype (GPCR)
Gene: Ptger3
UniProt: P30557 (PE2R3_MOUSE)
Organism: Mus musculus
Activity: Ki = 8.3
Assay: Binding affinity towards mouse Prostanoid EP3 receptor in CHO cells.
Drug: alprostadil
Target: Prostaglandin E2 receptor EP4 subtype (GPCR)
Gene: Ptger4
UniProt: P32240 (PE2R4_MOUSE)
Organism: Mus musculus
Activity: Ki = 8.51
Assay: Affinity for mouse Prostanoid EP4 receptor expressed in CHO cells
Drug: alprostadil
Target: Prostaglandin E2 receptor EP2 subtype (GPCR)
Gene: Ptger2
UniProt: Q62928 (PE2R2_RAT)
Organism: Rattus norvegicus
Activity: Ki = 8
Action type: AGONIST
Drug: alprostadil
Target: Prostaglandin E2 receptor EP4 subtype (GPCR)
Gene: Ptger4
UniProt: P43114 (PE2R4_RAT)
Organism: Rattus norvegicus
Activity: Ki = 9.2
Action type: AGONIST
Drug: alprostadil
Target: Cation channel sperm-associated protein 1 (Ion channel)
Gene: CATSPER1
UniProt: Q8NEC5 (CTSR1_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 6.3
Action type: ACTIVATOR
Assay: Patch clamp electrophysiology
Drug: alprostadil
Target: Cation channel sperm-associated protein 2 (Ion channel)
Gene: CATSPER2
UniProt: Q96P56 (CTSR2_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 6.3
Action type: ACTIVATOR
Assay: Patch clamp electrophysiology.
Drug: alprostadil
Target: Cation channel sperm-associated protein 3 (Ion channel)
Gene: CATSPER3
UniProt: Q86XQ3 (CTSR3_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 6.3
Action type: ACTIVATOR
Assay: Patch clamp electrophysiology.
Drug: alprostadil
Target: Cation channel sperm-associated protein 4 (Ion channel)
Gene: CATSPER4
UniProt: Q7RTX7 (CTSR4_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 6.3
Action type: ACTIVATOR
Assay: Patch clamp electrophysiology.
Drug: alprostadil
Target: Prostacyclin receptor (GPCR)
Gene: Ptgir
UniProt: P43252 (PI2R_MOUSE)
Organism: Mus musculus
Activity: Ki = 7.5
Action type: AGONIST
Drug: alprostadil
Target: Prostaglandin E2 receptor EP3 subtype (GPCR)
Gene: Ptger3
UniProt: P34980 (PE2R3_RAT)
Organism: Rattus norvegicus
Activity: EC50 = 9.35
Action type: AGONIST
Drug: alprostadil
Target: Prostaglandin E2 receptor EP1 subtype (GPCR)
Gene: Ptger1
UniProt: P70597 (PE2R1_RAT)
Organism: Rattus norvegicus
Activity: Ki = 7
Action type: AGONIST
Drug: altretamine
Target: Cytochrome P450 1A2 (Enzyme)
Gene: CYP1A2
UniProt: P05177 (CP1A2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.398
Assay: DRUGMATRIX: CYP450, 1A2 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)
Drug: alvimopan
Target: Mu-type opioid receptor (GPCR)
Gene: OPRM1
UniProt: P35372 (OPRM_HUMAN)
Organism: Homo sapiens
Activity: Ki = 9.398
Action type: ANTAGONIST
Drug: alvimopan
Target: Kappa-type opioid receptor (GPCR)
Gene: OPRK1
UniProt: P41145 (OPRK_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7
Assay: Displacement of [3H]diprenorphine from human cloned kappa opioid receptor
Drug: alvimopan
Target: Delta-type opioid receptor (GPCR)
Gene: OPRD1
UniProt: P41143 (OPRD_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.92
Assay: Displacement of [3H]diprenorphine from human cloned delta opioid receptor
Drug: alvimopan
Target: Kappa-type opioid receptor (GPCR)
Gene: OPRK1
UniProt: P41144 (OPRK_CAVPO)
Organism: Cavia porcellus
Activity: Ki = 8.3
Assay: Displacement of [3H]DPN from guinea pig kappa opioid receptor expressed in CHOK1 cell membranes
Drug: amantadine
Target: Sigma non-opioid intracellular receptor 1 (Membrane receptor)
Gene: SIGMAR1
UniProt: Q99720 (SGMR1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.69
Assay: Binding affinity towards sigma receptor in guinea pig brain membrane was determined by using [3H]DTG as the radioligand
Drug: amantadine
Target: Multidrug and toxin extrusion protein 1 (Transporter)
Gene: SLC47A1
UniProt: Q96FL8 (S47A1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.42
Assay: Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay
Drug: amantadine
Target: Matrix protein 2 (Ion channel)
Gene: M
UniProt: P63231 (M2_I72A2)
Organism: Influenza A virus (strain A/Udorn/307/1972 H3N2)
Activity: IC50 = 4.8
Action type: INHIBITOR
Assay: Inhibition of wild type Influenza A virus (A/udorn/72(H3N2)) M2 channel expressed in Xenopus oocyte plasma membrane incubated for 2 mins measured over 48 to 72 hrs by two-electrode voltage clamp method
Drug: amantadine
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
Activity: Ki = 4.98
Action type: BLOCKER
Assay: The compound was tested for its ability to block PCP N-methyl-D-aspartate glutamate receptor at the PCP (phencyclidine) binding site in postmortem human frontal cortex.
Drug: amantadine
Target: Matrix protein 2 (Unclassified)
Gene: M2
UniProt: Q20MD5 (Q20MD5_9INFA)
Organism: Influenza A virus (A/udorn/1972(H3N2))
Activity: IC50 = 4.8
Assay: Inhibition of Influenza A virus (A/Udorn/72) wild type matrix protein 2 expressed in xenopus oocytes after 2 mins by two-electrode voltage clamp assay
Drug: amantadine
Target: Matrix protein 2 (Unclassified)
Gene: M
UniProt: P05778 (M2_I000F)
Organism: Influenza A virus
Activity: Kd = 6.5
Assay: Binding affinity to Influenza A Weybridge(H7N7) virus Matrix protein 2 by spectrophotometry