AIM-Harvard/TrialPanorama-filtered huggingface dataset:
Drug: buspirone
Target: Alpha-1D adrenergic receptor (GPCR)
Gene: ADRA1D
UniProt: P25100 (ADA1D_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.277
Assay: DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)
Drug: buspirone
Target: 5-hydroxytryptamine receptor 1B (GPCR)
Gene: Htr1b
UniProt: P28564 (5HT1B_RAT)
Organism: Rattus norvegicus
Activity: Ki = 7.77
Assay: Inhibition of [3H]5-HT binding to 5-hydroxytryptamine 1B receptor
Drug: buspirone
Target: Membrane-associated progesterone receptor component 1 (Membrane receptor)
Gene: Pgrmc1
UniProt: P70580 (PGRC1_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 5.471
Assay: DRUGMATRIX: Sigma2 radioligand binding (ligand: [3H] Ifenprodil)
Drug: buspirone
Target: D(2) dopamine receptor (GPCR)
Gene: Drd2
UniProt: P61169 (DRD2_RAT)
Organism: Rattus norvegicus
Activity: Ki = 6.92
Assay: In vitro ability to inhibit [3H]spiperone binding to dopamine receptor D2 of rat limbic structures
Drug: buspirone
Target: 5-hydroxytryptamine receptor 1A (GPCR)
Gene: Htr1a
UniProt: P19327 (5HT1A_RAT)
Organism: Rattus norvegicus
Activity: Ki = 8.42
Assay: Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat hippocampal membranes
Drug: buspirone
Target: 5-hydroxytryptamine receptor 2A (GPCR)
Gene: Htr2a
UniProt: P14842 (5HT2A_RAT)
Organism: Rattus norvegicus
Activity: Ki = 6.32
Assay: Compound was evaluated for binding affinity against 5-hydroxytryptamine 2A receptor using [3H]ketanserin as a radioligand
Drug: buspirone
Target: Sigma non-opioid intracellular receptor 1 (Membrane receptor)
Gene: Sigmar1
UniProt: Q9R0C9 (SGMR1_RAT)
Organism: Rattus norvegicus
Activity: Ki = 7.32
Assay: Inhibition of [3H]DTG binding to sigma receptor in rat hippocampus
Drug: buspirone
Target: 5-hydroxytryptamine receptor 7 (GPCR)
Gene: Htr7
UniProt: P32305 (5HT7R_RAT)
Organism: Rattus norvegicus
Activity: Ki = 6.4
Action type: AGONIST
Drug: buspirone
Target: 5-hydroxytryptamine receptor 7 (GPCR)
Gene: Htr7
UniProt: P32304 (5HT7R_MOUSE)
Organism: Mus musculus
Activity: Ki = 6.4
Action type: ANTAGONIST
Drug: buspirone
Target: D(1A) dopamine receptor (GPCR)
Gene: DRD1
UniProt: Q95136 (DRD1_BOVIN)
Organism: Bos taurus
Activity: Ki = 5.21
Assay: Inhibition of [3H]SCH-23390 binding to Dopamine receptor D1 of bovine striatum
Drug: buspirone
Target: D(2) dopamine receptor (GPCR)
Gene: DRD2
UniProt: P20288 (DRD2_BOVIN)
Organism: Bos taurus
Activity: Ki = 7.36
Assay: Inhibition of [3H]raclopride binding to Dopamine receptor D2 of bovine striatum
Drug: buspirone
Target: 5-hydroxytryptamine receptor 2C (GPCR)
Gene: Htr2c
UniProt: P08909 (5HT2C_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 6
Assay: In vitro binding affinity towards the 5-hydroxytryptamine 1C receptor at 10 e-6 M
Drug: buspirone
Target: Alpha-1A adrenergic receptor (GPCR)
Gene: ADRA1A
UniProt: P18130 (ADA1A_BOVIN)
Organism: Bos taurus
Activity: IC50 = 4.8
Assay: Binding affinity against alpha-1 adrenergic receptor in calf frontal cortex
Drug: buspirone
Target: Alpha-2A adrenergic receptor (GPCR)
Gene: ADRA2A
UniProt: Q28838 (ADA2A_BOVIN)
Organism: Bos taurus
Activity: IC50 = 5
Assay: Binding affinity against alpha-2 adrenergic receptor in calf frontal cortex
Drug: buspirone
Target: 5-hydroxytryptamine receptor 2A (GPCR)
Gene: HTR2A
UniProt: Q75Z89 (5HT2A_BOVIN)
Organism: Bos taurus
Activity: Ki = 6.75
Assay: Binding affinity against 5-hydroxytryptamine 2 receptor
Drug: buspirone
Target: Solute carrier family 22 member 2 (Transporter)
Gene: SLC22A2
UniProt: O15244 (S22A2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.92
Assay: Inhibition of human OCT2-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay
Drug: buspirone
Target: Multidrug and toxin extrusion protein 1 (Transporter)
Gene: SLC47A1
UniProt: Q96FL8 (S47A1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.77
Assay: Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay
Drug: buspirone
Target: Multidrug and toxin extrusion protein 2 (Transporter)
Gene: SLC47A2
UniProt: Q86VL8 (S47A2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.34
Assay: Inhibition of human MATE2K-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay
Drug: buspirone
Target: Serotonin 1 (5-HT1) receptor (GPCR)
Gene: Htr1a|Htr1b|Htr1d|Htr1f
UniProt: P19327|P28564|P28565|P30940 (5HT1A_RAT|5HT1B_RAT|5HT1D_RAT|5HT1F_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 7.02
Assay: Binding affinity towards hippocampus 5-hydroxytryptamine 1 receptor was measured using radioligand [3H]5-HT
Drug: buspirone
Target: Adrenergic receptor alpha-2 (GPCR)
Gene: Adra2b|Adra2c|Adra2a
UniProt: P19328|P22086|P22909 (ADA2B_RAT|ADA2C_RAT|ADA2A_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 5
Assay: Binding affinity against Alpha-2 adrenergic receptor in rat brain membrane using [3H]yohimbine as radioligand
Drug: buspirone
Target: Dopamine receptor (GPCR)
Gene: Drd1|Drd3|Drd5|Drd4|Drd2
UniProt: P18901|P19020|P25115|P30729|P61169 (DRD1_RAT|DRD3_RAT|DRD5_RAT|DRD4_RAT|DRD2_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 6.92
Assay: Inhibition of [3H]spiperone binding to dopamine receptor from rat corpus striatal membranes
Drug: buspirone
Target: Adrenergic receptor alpha-1 (GPCR)
Gene: Adra1b|Adra1d|Adra1a
UniProt: P15823|P23944|P43140 (ADA1B_RAT|ADA1D_RAT|ADA1A_RAT)
Organism: Rattus norvegicus
Activity: Ki = 6.86
Assay: The compound was tested for its binding affinity towards Alpha-1 adrenergic receptor by displacing [3H]WB-4101 radioligand in rat cerebral cortex
Drug: buspirone
Target: Serotonin 2 (5-HT2) receptor (GPCR)
Gene: Htr2c|Htr2a|Htr2b
UniProt: P08909|P14842|P30994 (5HT2C_RAT|5HT2A_RAT|5HT2B_RAT)
Organism: Rattus norvegicus
Activity: Ki = 6.76
Assay: The compound was tested for its binding affinity towards 5-hydroxytryptamine 2 receptor by displacing [3H]ketanserin radioligand in rat cerebral cortex
Drug: busulfan
Target: Matrix metalloproteinase-9 (Enzyme)
Gene: MMP9
UniProt: P14780 (MMP9_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.283
Assay: DRUGMATRIX: Protease, Matrix Metalloprotease-9 (MMP-9) enzyme inhibition (substrate: Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2)
Drug: secbutabarbital
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: butalbital
Target: GABA-A receptor alpha-1/beta-3/gamma-2 (Ion channel)
Gene: GABRA1|GABRG2|GABRB3
UniProt: P14867|P18507|P28472 (GBRA1_HUMAN|GBRG2_HUMAN|GBRB3_HUMAN)
Organism: Homo sapiens
Action type: POSITIVE ALLOSTERIC MODULATOR
Drug: butenafine
Target: Alpha-2A adrenergic receptor (GPCR)
Gene: ADRA2A
UniProt: P08913 (ADA2A_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.864
Assay: DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)
Drug: butenafine
Target: Sigma non-opioid intracellular receptor 1 (Membrane receptor)
Gene: SIGMAR1
UniProt: Q99720 (SGMR1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.779
Assay: DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol)
Drug: butenafine
Target: Sodium-dependent serotonin transporter (Transporter)
Gene: SLC6A4
UniProt: P31645 (SC6A4_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.125
Assay: DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)
Drug: butenafine
Target: Sodium-dependent noradrenaline transporter (Transporter)
Gene: SLC6A2
UniProt: P23975 (SC6A2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.411
Assay: DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)
Drug: butenafine
Target: Cytochrome P450 2D6 (Enzyme)
Gene: CYP2D6
UniProt: P10635 (CP2D6_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.523
Assay: DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)
Drug: butenafine
Target: Acetylcholinesterase (Enzyme)
Gene: ACHE
UniProt: P22303 (ACES_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.161
Assay: DRUGMATRIX: Acetylcholinesterase enzyme inhibition (substrate: acetylthiocholine)
Drug: butenafine
Target: Squalene epoxidase (Enzyme)
UniProt: Q4JEY0 (Q4JEY0_TRIRU)
Organism: Trichophyton rubrum
Action type: INHIBITOR
Assay: Mechanism of Action; CHEMBL2364679; SINGLE PROTEIN
Drug: butenafine
Target: Membrane-associated progesterone receptor component 1 (Membrane receptor)
Gene: Pgrmc1
UniProt: P70580 (PGRC1_RAT)
Organism: Rattus norvegicus
Activity: Ki = 6.805
Assay: DRUGMATRIX: Sigma2 radioligand binding (ligand: [3H] Ifenprodil)
Drug: butenafine
Target: Enoyl-[acyl-carrier-protein] reductase [NADH] (Enzyme)
Gene: fabI
UniProt: Q5NGQ3 (Q5NGQ3_FRATT)
Organism: Francisella tularensis subsp. tularensis (strain SCHU S4 / Schu 4)
Activity: IC50 = 4.12
Assay: Inhibition of C-terminal His6-tagged Francisella tularensis SCHU S4 FabI expressed in Escherichia coli BL21 (DE3) using CrCoA as substrate assessed as oxidation of NADH to NAD+ by fluorescence assay
Drug: butenafine
Target: Squalene monooxygenase (Enzyme)
Gene: ERG1
UniProt: Q92206 (ERG1_CANAL)
Organism: Candida albicans (strain SC5314 / ATCC MYA-2876)
Activity: IC50 = 7.347
Drug: butoconazole
Target: Lanosterol 14-alpha demethylase (Enzyme)
Gene: ERG11
UniProt: P10613 (CP51_CANAL)
Organism: Candida albicans (strain SC5314 / ATCC MYA-2876)
Action type: INHIBITOR
Assay: Mechanism of Action; CHEMBL1780; SINGLE PROTEIN
Drug: butorphanol
Target: Mu-type opioid receptor (GPCR)
Gene: OPRM1
UniProt: P35372 (OPRM_HUMAN)
Organism: Homo sapiens
Activity: Ki = 9.92
Action type: PARTIAL AGONIST
Assay: Displacement of [3H]DAMGO form human mu opioid receptor expressed in CHO cells
Drug: butorphanol
Target: Kappa-type opioid receptor (GPCR)
Gene: OPRK1
UniProt: P41145 (OPRK_HUMAN)
Organism: Homo sapiens
Activity: Ki = 9.92
Action type: PARTIAL AGONIST
Assay: Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cell membrane
Drug: butorphanol
Target: Delta-type opioid receptor (GPCR)
Gene: OPRD1
UniProt: P41143 (OPRD_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.92
Assay: Displacement of [3H]Naltindole from human delta opioid receptor expressed in CHO cell membrane
Drug: butriptyline
Target: Sodium-dependent serotonin transporter (Transporter)
Gene: SLC6A4
UniProt: P31645 (SC6A4_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.866
Drug: butriptyline
Target: Sodium-dependent noradrenaline transporter (Transporter)
Gene: SLC6A2
UniProt: P23975 (SC6A2_HUMAN)
Organism: Homo sapiens
Activity: Ki  5.292
Drug: butriptyline
Target: Sodium-dependent dopamine transporter (Transporter)
Gene: SLC6A3
UniProt: Q01959 (SC6A3_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.405
Drug: scopolamine butylbromide
Target: Muscarinic acetylcholine receptor M1 (GPCR)
Gene: CHRM1
UniProt: P11229 (ACM1_HUMAN)
Organism: Homo sapiens
Drug: scopolamine butylbromide
Target: Muscarinic acetylcholine receptor M2 (GPCR)
Gene: CHRM2
UniProt: P08172 (ACM2_HUMAN)
Organism: Homo sapiens
Drug: scopolamine butylbromide
Target: Muscarinic acetylcholine receptor M3 (GPCR)
Gene: CHRM3
UniProt: P20309 (ACM3_HUMAN)
Organism: Homo sapiens
Drug: scopolamine butylbromide
Target: Muscarinic acetylcholine receptor M4 (GPCR)
Gene: CHRM4
UniProt: P08173 (ACM4_HUMAN)
Organism: Homo sapiens
Drug: cabergoline
Target: D(1A) dopamine receptor (GPCR)
Gene: DRD1
UniProt: P21728 (DRD1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.7
Action type: AGONIST
Drug: cabergoline
Target: D(2) dopamine receptor (GPCR)
Gene: DRD2
UniProt: P14416 (DRD2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 9.2
Action type: AGONIST
Drug: cabergoline
Target: Alpha-2A adrenergic receptor (GPCR)
Gene: ADRA2A
UniProt: P08913 (ADA2A_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.9
Action type: ANTAGONIST
Drug: cabergoline
Target: 5-hydroxytryptamine receptor 1A (GPCR)
Gene: HTR1A
UniProt: P08908 (5HT1A_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.7
Action type: AGONIST
Drug: cabergoline
Target: 5-hydroxytryptamine receptor 2A (GPCR)
Gene: HTR2A
UniProt: P28223 (5HT2A_HUMAN)
Organism: Homo sapiens
Activity: Ki = 8.2
Action type: AGONIST
Drug: cabergoline
Target: 5-hydroxytryptamine receptor 2B (GPCR)
Gene: HTR2B
UniProt: P41595 (5HT2B_HUMAN)
Organism: Homo sapiens
Activity: Ki = 8.85
Assay: Displacement of [125I](+/-)DOI from human 5-HT2B receptor transfected in CHO cell membrane after 60 mins by scintillation counting analysis
Drug: cabergoline
Target: 5-hydroxytryptamine receptor 2C (GPCR)
Gene: HTR2C
UniProt: P28335 (5HT2C_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.2
Action type: AGONIST
Drug: cabergoline
Target: Alpha-1A adrenergic receptor (GPCR)
Gene: ADRA1A
UniProt: P35348 (ADA1A_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.5
Action type: ANTAGONIST
Drug: cabergoline
Target: Alpha-2B adrenergic receptor (GPCR)
Gene: ADRA2B
UniProt: P18089 (ADA2B_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.1
Action type: ANTAGONIST
Drug: cabergoline
Target: D(3) dopamine receptor (GPCR)
Gene: DRD3
UniProt: P35462 (DRD3_HUMAN)
Organism: Homo sapiens
Activity: Ki = 9.1
Action type: AGONIST
Drug: cabergoline
Target: D(1B) dopamine receptor (GPCR)
Gene: DRD5
UniProt: P21918 (DRD5_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.7
Action type: AGONIST
Drug: cabergoline
Target: 5-hydroxytryptamine receptor 1B (GPCR)
Gene: HTR1B
UniProt: P28222 (5HT1B_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.3
Action type: AGONIST
Drug: cabergoline
Target: 5-hydroxytryptamine receptor 1D (GPCR)
Gene: HTR1D
UniProt: P28221 (5HT1D_HUMAN)
Organism: Homo sapiens
Activity: Ki = 8.1
Action type: AGONIST
Drug: cabergoline
Target: Alpha-2C adrenergic receptor (GPCR)
Gene: ADRA2C
UniProt: P18825 (ADA2C_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.7
Action type: ANTAGONIST
Drug: cabergoline
Target: D(4) dopamine receptor (GPCR)
Gene: DRD4
UniProt: P21917 (DRD4_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.3
Action type: AGONIST
Drug: cabergoline
Target: Alpha-1D adrenergic receptor (GPCR)
Gene: ADRA1D
UniProt: P25100 (ADA1D_HUMAN)
Organism: Homo sapiens
Activity: Ki  6.78
Drug: cabergoline
Target: Alpha-1B adrenergic receptor (GPCR)
Gene: ADRA1B
UniProt: P35368 (ADA1B_HUMAN)
Organism: Homo sapiens
Activity: Ki  7.22
Drug: cadralazine
Target: Voltage-dependent L-type calcium channel subunit alpha-1C (Ion channel)
Gene: CACNA1C
UniProt: Q13936 (CAC1C_HUMAN)
Organism: Homo sapiens
Drug: cadralazine
Target: Myeloperoxidase (Enzyme)
Gene: MPO
UniProt: P05164 (PERM_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.301
Drug: caffeine
Target: Adenosine receptor A2a (GPCR)
Gene: ADORA2A
UniProt: P29274 (AA2AR_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.61
Action type: ANTAGONIST
Assay: Competitive binding affinity to human adenosine A2A receptor expressed in HEK293 cells after 60 mins by fluorescence polarization assay in presence of MRS5346
Drug: caffeine
Target: Potassium voltage-gated channel subfamily H member 2 (Ion channel)
Gene: KCNH2
UniProt: Q12809 (KCNH2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.31
Assay: Inhibition of human ERG
Drug: caffeine
Target: Adenosine receptor A1 (GPCR)
Gene: ADORA1
UniProt: P30542 (AA1R_HUMAN)
Organism: Homo sapiens
Activity: Ki = 4.97
Action type: ANTAGONIST
Drug: caffeine
Target: Adenosine receptor A2b (GPCR)
Gene: ADORA2B
UniProt: P29275 (AA2BR_HUMAN)
Organism: Homo sapiens
Activity: Ki = 4.77
Action type: ANTAGONIST
Drug: caffeine
Target: Adenosine receptor A3 (GPCR)
Gene: ADORA3
UniProt: P0DMS8 (AA3R_HUMAN)
Organism: Homo sapiens
Activity: Ki = 4.33
Action type: ANTAGONIST
Drug: caffeine
Target: Acetylcholinesterase (Enzyme)
Gene: ACHE
UniProt: P22303 (ACES_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.14
Assay: Inhibition of human AChE using acetylthiocholine iodide as substrate treated 5 mins before substrate addition measured up to 4 mins by Ellman's method
Drug: caffeine
Target: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Kinase)
Gene: PIK3CD
UniProt: O00329 (PK3CD_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.12
Assay: Inhibition of PI3Kdelta (unknown origin)
Drug: caffeine
Target: Glycogen phosphorylase, muscle form (Enzyme)
Gene: PYGM
UniProt: P00489 (PYGM_RABIT)
Organism: Oryctolagus cuniculus
Activity: IC50 = 4.13
Assay: Inhibition of rabbit muscle glycogen phosphorylase A assessed as release of phosphate from glucose-1-phosphate after 25 mins
Drug: caffeine
Target: Adenosine receptor A1 (GPCR)
Gene: Adora1
UniProt: P25099 (AA1R_RAT)
Organism: Rattus norvegicus
Activity: Ki = 4.77
Assay: Displacement of [3H]CHA from adenosine A1 receptor in rat brain cortical membrane
Drug: caffeine
Target: Adenosine receptor A2a (GPCR)
Gene: Adora2a
UniProt: P30543 (AA2AR_RAT)
Organism: Rattus norvegicus
Activity: Ki = 5.03
Assay: Displacement of [3H]CGS21680 from adenosine A2A receptor in rat brain striatal membrane
Drug: caffeine
Target: Adenosine receptor A1 (GPCR)
Gene: ADORA1
UniProt: P28190 (AA1R_BOVIN)
Organism: Bos taurus
Activity: Ki = 4.54
Assay: Affinity to A1 adenosine receptor was measured by the displacement of [3H]PIA in bovine brain cortical membrane
Drug: caffeine
Target: Adenosine receptor A1 (GPCR)
Gene: ADORA1
UniProt: P47745 (AA1R_CAVPO)
Organism: Cavia porcellus
Activity: Ki = 4
Assay: Binding affinity against adenosine A1 receptor in guinea pig forebrain membranes using N6-[3H]cyclohexyladenosine as radioligand
Drug: caffeine
Target: Adenosine A2 receptor (GPCR)
Gene: Adora2b|Adora2a
UniProt: P29276|P30543 (AA2BR_RAT|AA2AR_RAT)
Organism: Rattus norvegicus
Activity: Ki = 4.57
Assay: Binding affinity against adenosine A2 receptor in rat striatal membranes using N-[3H]-ethyladenosin-5''-uronamide as radioligand in the presence of 50 nM cyclopentyladenosine
Drug: caffeine
Target: Adenosine receptor (GPCR)
Gene: Adora1|Adora3|Adora2b|Adora2a
UniProt: P25099|P28647|P29276|P30543 (AA1R_RAT|AA3R_RAT|AA2BR_RAT|AA2AR_RAT)
Organism: Rattus norvegicus
Activity: Ki = 4.22
Assay: Antagonist binding of N6-cyclohexyl-[3H]-adenosine to rat testes
Drug: caffeine
Target: Guanine deaminase (Enzyme)
Gene: GDA
UniProt: Q9Y2T3 (GUAD_HUMAN)
Organism: Homo sapiens
Activity: Ki = 4.99
Assay: Inhibition of GDA by colorimetric assay
Drug: caffeine
Target: Adenosine A2a receptor (GPCR)
Gene: ADORA2A
UniProt: P46616 (AA2AR_CAVPO)
Organism: Cavia porcellus
Activity: Ki = 4.1
Assay: Antagonist binding of N6-cyclohexyl-[3H]-adenosine to guinea pig brain
Drug: caffeine
Target: Adenosine receptor A2b (GPCR)
Gene: Adora2b
UniProt: Q60614 (AA2BR_MOUSE)
Organism: Mus musculus
Activity: Ki = 4.89
Action type: ANTAGONIST
Drug: calcifediol
Target: Vitamin D3 receptor (Nuclear hormone receptor)
Gene: VDR
UniProt: P11473 (VDR_HUMAN)
Organism: Homo sapiens
Action type: AGONIST
Assay: Mechanism of Action; CHEMBL1977; SINGLE PROTEIN
Drug: calcipotriene
Target: Vitamin D3 receptor (Nuclear hormone receptor)
Gene: VDR
UniProt: P11473 (VDR_HUMAN)
Organism: Homo sapiens
Activity: Kd = 9.51
Action type: AGONIST
Assay: Binding affinity to VDR receptor
Drug: calcitriol
Target: 25-hydroxyvitamin D-1 alpha hydroxylase, mitochondrial (Enzyme)
Gene: CYP27B1
UniProt: O15528 (CP27B_HUMAN)
Organism: Homo sapiens
Drug: calcitriol
Target: Vitamin D3 receptor (Nuclear hormone receptor)
Gene: VDR
UniProt: P11473 (VDR_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 8.4
Action type: AGONIST
Drug: calcitriol
Target: Vitamin D 25-hydroxylase (Enzyme)
Gene: CYP2R1
UniProt: Q6VVX0 (CP2R1_HUMAN)
Organism: Homo sapiens
Drug: calcitriol
Target: Vitamin D-binding protein (Secreted)
Gene: GC
UniProt: P02774 (VTDB_HUMAN)
Organism: Homo sapiens
Activity: Kd = 7.62
Assay: Binding affinity to human vitamin D binding protein
Drug: calcitriol
Target: Vitamin D3 receptor (Transcription factor)
Gene: Vdr
UniProt: P13053 (VDR_RAT)
Organism: Rattus norvegicus
Activity: Ki = 10.3
Assay: Displacement of [3H]1-alpha,25-(OH)2D3 from rat recombinant full length VDR
Drug: calcitriol
Target: Vitamin D3 receptor (Transcription factor)
Gene: VDR
UniProt: O42392 (VDR_CHICK)
Organism: Gallus gallus
Activity: Ki = 10.6
Assay: Displacement from vitamin D receptor in chick intestine: 50% displacement
Drug: calcitriol
Target: Vitamin D3 receptor (Transcription factor)
Gene: VDR
UniProt: Q28037 (VDR_BOVIN)
Organism: Bos taurus
Activity: EC50 = 10.3
Assay: Displacement of [3H]1,25-(OH)2D3 from bovine thymus vitamin D receptor
Drug: calcitriol
Target: Vitamin D3 receptor (Nuclear hormone receptor)
Gene: VDR
UniProt: A3RGC1 (VDR_PIG)
Organism: Sus scrofa
Activity: Kd = 10.15
Assay: Displacement of [3H]1-alpha,25-(OH)2D3 from VDR in pig intestinal mucosa
Drug: calcitriol
Target: Vitamin D3 receptor A (Nuclear hormone receptor)
Gene: vdra
UniProt: Q9PTN2 (VDRA_DANRE)
Organism: Danio rerio
Activity: EC50 = 8.26
Assay: Agonist activity at zebrafish gal4-VDR LBD expressed in human MCF7 cells by luciferase reporter gene based transactivation assay
Drug: camphor
Target: Acetylcholinesterase (Enzyme)
Gene: ache
UniProt: O42275 (ACES_ELEEL)
Organism: Electrophorus electricus
Activity: Ki = 4.3
Assay: Inhibition of Electrophorus electricus (electric eel) acetylcholinesterase (AChE) using acetylthiocholine iodide substrate by Ellman method based colorimetry
Drug: camphor
Target: Transient receptor potential cation channel subfamily A member 1 (Ion channel)
Gene: Trpa1
UniProt: Q8BLA8 (TRPA1_MOUSE)
Organism: Mus musculus
Activity: IC50 = 4.2
Action type: GATING INHIBITOR
Drug: camostat
Target: Prothrombin (Enzyme)
Gene: F2
UniProt: P00734 (THRB_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.5
Assay: Concentration required to inhibit enzymatic cleavage of the chromogenic substrate (H-D-Phe-Pip-Arg-pNA) thrombin in vitro.
Drug: camostat
Target: Trypsin-1 (Enzyme)
Gene: PRSS1
UniProt: P07477 (TRY1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.3
Action type: INHIBITOR
Assay: Concentration required to inhibit enzymatic cleavage of the chromogenic substrate (Boc-Phe-Ser-Arg-AMC) for trypsin in vitro.
Drug: camostat
Target: Kallikrein-1 (Enzyme)
Gene: KLK1
UniProt: P06870 (KLK1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.83
Assay: Concentration required to inhibit enzymatic cleavage of the chromogenic substrate (H-D-Pro-Phe-Arg-pNA) for plasma kallikrein in vitro.
Drug: camostat
Target: Plasminogen (Enzyme)
Gene: Plg
UniProt: Q01177 (PLMN_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 5.58
Assay: Concentration required to inhibit enzymatic cleavage of the chromogenic substrate (H-D-Val-Leu-Lys-pNA) for plasmin in vitro.
Drug: camostat
Target: Solute carrier family 22 member 2 (Transporter)
Gene: SLC22A2
UniProt: O15244 (S22A2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.78
Assay: Inhibition of human OCT2-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay
Drug: camostat
Target: Multidrug and toxin extrusion protein 1 (Transporter)
Gene: SLC47A1
UniProt: Q96FL8 (S47A1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.54
Assay: Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay
Drug: camostat
Target: Multidrug and toxin extrusion protein 2 (Transporter)
Gene: SLC47A2
UniProt: Q86VL8 (S47A2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.9
Assay: Inhibition of human MATE2K-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay
Drug: camostat
Target: Serine protease hepsin (Enzyme)
Gene: HPN
UniProt: P05981 (HEPS_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.54
Assay: Inhibition of recombinant C-terminal His10-tagged human Hepsin (R45 to L17 residues) D161E/ R162K double mutant expressed in mouse NS0 cells using Boc-QRR-AMC as substrate after 15 mins by automated fluorescence assay
Drug: camostat
Target: Hepatocyte growth factor activator (Enzyme)
Gene: HGFAC
UniProt: Q04756 (HGFA_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.49
Drug: camostat
Target: Transmembrane protease serine 2 (Enzyme)
Gene: TMPRSS2
UniProt: O15393 (TMPS2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6
Action type: INHIBITOR
Assay: Inhibition of TMPRSS2-dependent MERS-S-mediated membrane fusion in an in vitro reporter assay.
Drug: camylofin
Target: Solute carrier family 22 member 1 (Transporter)
Gene: SLC22A1
UniProt: O15245 (S22A1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.04
Assay: Inhibition of human OCT1 expressed in HEK293 cells assessed as decrease in uptake of ASP+ after 2 mins by fluorescence assay