AIM-Harvard/TrialPanorama-filtered huggingface dataset:
Drug: ruxolitinib
Target: Serine/threonine-protein kinase SBK1 (Kinase)
Gene: SBK1
UniProt: Q52WX2 (SBK1_HUMAN)
Organism: Homo sapiens
Activity: Kd = 5.89
Assay: Binding constant for SBK1 kinase domain
Drug: ruxolitinib
Target: Serine/threonine-protein kinase Nek3 (Kinase)
Gene: NEK3
UniProt: P51956 (NEK3_HUMAN)
Organism: Homo sapiens
Activity: Kd = 5.96
Assay: Binding constant for NEK3 kinase domain
Drug: ruxolitinib
Target: Peripheral plasma membrane protein CASK (Kinase)
Gene: CASK
UniProt: O14936 (CSKP_HUMAN)
Organism: Homo sapiens
Activity: Kd = 5.82
Assay: Binding constant for CASK kinase domain
Drug: ruxolitinib
Target: Serine/threonine-protein kinase VRK2 (Kinase)
Gene: VRK2
UniProt: Q86Y07 (VRK2_HUMAN)
Organism: Homo sapiens
Activity: Kd = 5.4
Assay: Binding constant for VRK2 kinase domain
Drug: ruxolitinib
Target: Serine/threonine-protein kinase TAO2 (Kinase)
Gene: TAOK2
UniProt: Q9UL54 (TAOK2_HUMAN)
Organism: Homo sapiens
Activity: Kd = 6.51
Assay: Binding constant for TAOK2 kinase domain
Drug: ruxolitinib
Target: Leucine-rich repeat serine/threonine-protein kinase 2 (Kinase)
Gene: LRRK2
UniProt: Q5S007 (LRRK2_HUMAN)
Organism: Homo sapiens
Activity: Kd = 7.05
Assay: Binding constant for LRRK2(G2019S) kinase domain
Drug: ruxolitinib
Target: Tyrosine-protein kinase JAK2 (Kinase)
Gene: Jak2
UniProt: Q62120 (JAK2_MOUSE)
Organism: Mus musculus
Activity: EC50 = 6.73
Assay: Inhibition of JAK2 V617F mutant expressed in mouse BaF3 cells cells assessed as reduction in cell viability
Drug: ruxolitinib
Target: Serine/threonine-protein kinase PknB (Kinase)
Gene: pknB
UniProt: P9WI81 (PKNB_MYCTU)
Organism: Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Activity: Kd = 5.38
Assay: Binding constant for PKNB(M.tuberculosis) kinase domain
Drug: ruxolitinib
Target: JAK2/JAK1 (Kinase)
Gene: JAK2|JAK1
UniProt: O60674|P23458 (JAK2_HUMAN|JAK1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.51
Assay: Inhibition of JAK2/1 in human T cells expressing CD3 assessed as inhibition of IFNgamma-stimulated STAT1 phosphorylation
Drug: ruxolitinib
Target: JAK3/JAK1 (Kinase)
Gene: JAK1|JAK3
UniProt: P23458|P52333 (JAK1_HUMAN|JAK3_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.64
Assay: Inhibition of JAK3/1 in human T cells expressing CD3 assessed as inhibition of IL2-stimulated STAT5a phosphorylation
Drug: ruxolitinib
Target: JAK1/TYK2 (Kinase)
Gene: JAK1|TYK2
UniProt: P23458|P29597 (JAK1_HUMAN|TYK2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.71
Assay: Inhibition of JAK1/TYK2 in human whole blood assessed as inhibition of IFN-alpha-induced STAT-3 phosphorylation preincubated for 45 mins followed by IFN-alpha addition measured after 15 mins by FACS analysis
Drug: ruxolitinib
Target: JAK1/JAK2/TYK2 (Kinase)
Gene: JAK2|JAK1|TYK2
UniProt: O60674|P23458|P29597 (JAK2_HUMAN|JAK1_HUMAN|TYK2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.53
Assay: Inhibition of JAK1/JAK2/TYK2 in human whole blood assessed as inhibition of IL-6-induced STAT-1 phosphorylation preincubated for 45 mins followed by IL-6 addition measured after 15 mins by FACS analysis
Drug: ruxolitinib
Target: JAK2/TYK2 (Kinase)
Gene: JAK2|TYK2
UniProt: O60674|P29597 (JAK2_HUMAN|TYK2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.09
Assay: Inhibition of JAK2/TYK2 in human whole blood assessed as inhibition of IL-23-induced STAT-3 phosphorylation preincubated for 45 mins followed by IL-23 addition measured after 15 mins by FACS analysis
Drug: ruxolitinib
Target: Oxysterols receptor LXR-beta (Nuclear other)
Gene: NR1H2
UniProt: P55055 (NR1H2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 4.35
Assay: Binding affinity to recombinant human LXRbeta-LBD expressed in Escherichia coli BL21 (DE3) assessed as inhibitory constant incubated for 30 mins by fluorescence polarization binding assay
Drug: fesoterodine
Target: Muscarinic acetylcholine receptor M1 (GPCR)
Gene: CHRM1
UniProt: P11229 (ACM1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.393
Drug: fesoterodine
Target: Muscarinic acetylcholine receptor M2 (GPCR)
Gene: CHRM2
UniProt: P08172 (ACM2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.401
Action type: ANTAGONIST
Drug: fesoterodine
Target: Muscarinic acetylcholine receptor M3 (GPCR)
Gene: CHRM3
UniProt: P20309 (ACM3_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.271
Action type: ANTAGONIST
Drug: fesoterodine
Target: Muscarinic acetylcholine receptor M4 (GPCR)
Gene: CHRM4
UniProt: P08173 (ACM4_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.187
Drug: fesoterodine
Target: Muscarinic acetylcholine receptor M5 (GPCR)
Gene: CHRM5
UniProt: P08912 (ACM5_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.979
Drug: tafamidis
Target: ATP-binding cassette sub-family G member 2 (Transporter)
Gene: ABCG2
UniProt: Q9UNQ0 (ABCG2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.936
Action type: INHIBITOR
Drug: tafamidis
Target: Solute carrier family 22 member 6 (Transporter)
Gene: SLC22A6
UniProt: Q4U2R8 (S22A6_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.538
Action type: INHIBITOR
Drug: tafamidis
Target: Solute carrier family 22 member 8 (Transporter)
Gene: SLC22A8
UniProt: Q8TCC7 (S22A8_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.627
Action type: INHIBITOR
Drug: tafamidis
Target: Transthyretin (Secreted)
Gene: TTR
UniProt: P02766 (TTHY_HUMAN)
Organism: Homo sapiens
Activity: Kd = 6.812
Action type: BINDING AGENT
Assay: Mechanism of Action
Drug: cyanocobalamin
Target: Methionine synthase (Enzyme)
Gene: MTR
UniProt: Q99707 (METH_HUMAN)
Organism: Homo sapiens
Drug: cyanocobalamin
Target: Methionine synthase reductase (Enzyme)
Gene: MTRR
UniProt: Q9UBK8 (MTRR_HUMAN)
Organism: Homo sapiens
Drug: cyanocobalamin
Target: Protein amnionless (Unclassified)
Gene: AMN
UniProt: Q9BXJ7 (AMNLS_HUMAN)
Organism: Homo sapiens
Drug: cyanocobalamin
Target: Cob(I)yrinic acid a,c-diamide adenosyltransferase, mitochondrial (Enzyme)
Gene: MMAB
UniProt: Q96EY8 (MMAB_HUMAN)
Organism: Homo sapiens
Drug: cyanocobalamin
Target: Methylmalonic aciduria type A protein, mitochondrial (Enzyme)
Gene: MMAA
UniProt: Q8IVH4 (MMAA_HUMAN)
Organism: Homo sapiens
Drug: cyanocobalamin
Target: Transcobalamin-2 (Secreted)
Gene: TCN2
UniProt: P20062 (TCO2_HUMAN)
Organism: Homo sapiens
Drug: cyanocobalamin
Target: Transcobalamin-1 (Secreted)
Gene: TCN1
UniProt: P20061 (TCO1_HUMAN)
Organism: Homo sapiens
Drug: vitamin A palmitate
Target: Retinol-binding protein 4 (Secreted)
Gene: RBP4
UniProt: P02753 (RET4_HUMAN)
Organism: Homo sapiens
Activity: Kd = 6.74
Drug: vitamin A palmitate
Target: Beta-lactoglobulin (Unclassified)
Gene: LGB
UniProt: P02754 (LACB_BOVIN)
Organism: Bos taurus
Activity: Kd = 7.44
Drug: potassium chloride
Target: Carbonic anhydrase 4 (Enzyme)
Gene: CA4
UniProt: P22748 (CAH4_HUMAN)
Organism: Homo sapiens
Activity: Ki = 4.05
Assay: Inhibition of human carbonic anhydrase 4 by Lineweaver-Burk curves
Drug: sodium acetate
Target: Carbonic anhydrase 1 (Enzyme)
Gene: CA1
UniProt: P00915 (CAH1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 4.97
Assay: Inhibition of human cytosolic carbonic anhydrase 1 by stopped flow CO2 hydration assay
Drug: sodium acetate
Target: Carbonic anhydrase (Enzyme)
Gene: NCE103
UniProt: Q5AJ71 (CAN_CANAL)
Organism: Candida albicans (strain SC5314 / ATCC MYA-2876)
Activity: Ki = 4.44
Assay: Inhibition of Candida albicans Nce103
Drug: lithium carbonate
Target: Glycogen synthase kinase-3 (Kinase)
Gene: GSK3A|GSK3B
UniProt: P49840|P49841 (GSK3A_HUMAN|GSK3B_HUMAN)
Organism: Homo sapiens
Action type: INHIBITOR
Assay: Mechanism of Action; CHEMBL2095188; PROTEIN FAMILY
Drug: lithium carbonate
Target: Inositol-1(or 4)-monophosphatase 1 (Enzyme)
Gene: IMPA1
UniProt: P29218 (IMPA1_HUMAN)
Organism: Homo sapiens
Action type: INHIBITOR
Assay: Mechanism of Action; CHEMBL1786; SINGLE PROTEIN
Drug: prazosin
Target: Alpha-2A adrenergic receptor (GPCR)
Gene: ADRA2A
UniProt: P08913 (ADA2A_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.68
Assay: Ability to displace [3H]rauwolscine from cloned human Alpha-2A adrenergic receptor
Drug: prazosin
Target: Potassium voltage-gated channel subfamily H member 2 (Ion channel)
Gene: KCNH2
UniProt: Q12809 (KCNH2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.8
Assay: Inhibitory concentration against potassium channel HERG
Drug: prazosin
Target: 5-hydroxytryptamine receptor 2A (GPCR)
Gene: HTR2A
UniProt: P28223 (5HT2A_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.73
Drug: prazosin
Target: 5-hydroxytryptamine receptor 2B (GPCR)
Gene: HTR2B
UniProt: P41595 (5HT2B_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.582
Assay: DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)
Drug: prazosin
Target: Alpha-1A adrenergic receptor (GPCR)
Gene: ADRA1A
UniProt: P35348 (ADA1A_HUMAN)
Organism: Homo sapiens
Activity: Ki = 10.4
Action type: INVERSE AGONIST
Assay: Displacement of [3H]prazosin from human recombinant alpha1A adrenoceptor expressed in CHO cells
Drug: prazosin
Target: Alpha-2B adrenergic receptor (GPCR)
Gene: ADRA2B
UniProt: P18089 (ADA2B_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.89
Assay: Ability to displace [3H]rauwolscine from cloned human Alpha-2B adrenergic receptor
Drug: prazosin
Target: 5-hydroxytryptamine receptor 1D (GPCR)
Gene: HTR1D
UniProt: P28221 (5HT1D_HUMAN)
Organism: Homo sapiens
Activity: Ki = 9.48
Assay: Binding affinity was determined for the alpha-1D adrenergic receptor
Drug: prazosin
Target: Alpha-2C adrenergic receptor (GPCR)
Gene: ADRA2C
UniProt: P18825 (ADA2C_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.62
Assay: Ability to displace [3H]rauwolscine from cloned human Alpha-2C adrenergic receptor
Drug: prazosin
Target: Adenosine receptor A3 (GPCR)
Gene: ADORA3
UniProt: P0DMS8 (AA3R_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 9.07
Assay: Inhibitory concentration against human Adenosine A3 receptor expressed in HEK293 cells using 0.1 nM [3H]AB-MECA
Drug: prazosin
Target: D(4) dopamine receptor (GPCR)
Gene: DRD4
UniProt: P21917 (DRD4_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.08
Assay: Displacement of [3H]-YM-09151-2 (0.06 nM) from human Dopamine receptor D4 expressed in CHO cells
Drug: prazosin
Target: Alpha-1D adrenergic receptor (GPCR)
Gene: ADRA1D
UniProt: P25100 (ADA1D_HUMAN)
Organism: Homo sapiens
Activity: Ki = 9.7
Action type: INVERSE AGONIST
Assay: Compound was tested for binding affinity utilizing cloned receptor binding assays by using [125 I]HEAT as radioligand to the human Alpha-1D adrenergic receptor
Drug: prazosin
Target: Alpha-1B adrenergic receptor (GPCR)
Gene: ADRA1B
UniProt: P35368 (ADA1B_HUMAN)
Organism: Homo sapiens
Activity: Ki = 9.68
Action type: INVERSE AGONIST
Assay: Ability to displace [3H]prazosin from cloned human Alpha-1B adrenergic receptor
Drug: prazosin
Target: Ribosyldihydronicotinamide dehydrogenase [quinone] (Enzyme)
Gene: NQO2
UniProt: P16083 (NQO2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8.11
Assay: Binding affinity to low affinity melatonin (MT3) site of quinone reductase 2
Drug: prazosin
Target: Matrix metalloproteinase-9 (Enzyme)
Gene: MMP9
UniProt: P14780 (MMP9_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.157
Assay: DRUGMATRIX: Protease, Matrix Metalloprotease-9 (MMP-9) enzyme inhibition (substrate: Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2)
Drug: prazosin
Target: Interstitial collagenase (Enzyme)
Gene: MMP1
UniProt: P03956 (MMP1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.394
Assay: DRUGMATRIX: Peptidase, Matrix Metalloproteinase-1 (MMP-1) enzyme inhibition (substrate: Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2)
Drug: prazosin
Target: Solute carrier family 22 member 1 (Transporter)
Gene: SLC22A1
UniProt: O15245 (S22A1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5
Assay: Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells by confocal microscopy
Drug: prazosin
Target: Alpha-1B adrenergic receptor (GPCR)
Gene: Adra1b
UniProt: P15823 (ADA1B_RAT)
Organism: Rattus norvegicus
Activity: Ki = 10
Assay: Displacement of [3H]prazosin from adrenergic alpha-1B receptor in rat liver membranes
Drug: prazosin
Target: Alpha-1A adrenergic receptor (GPCR)
Gene: Adra1a
UniProt: P43140 (ADA1A_RAT)
Organism: Rattus norvegicus
Activity: Ki = 10.15
Assay: Inhibition of [3H]- prazosin binding against Alpha-1A adrenergic receptor from rat submaxillary gland
Drug: prazosin
Target: Alpha-1D adrenergic receptor (GPCR)
Gene: Adra1d
UniProt: P23944 (ADA1D_RAT)
Organism: Rattus norvegicus
Activity: Ki = 9.7
Assay: Displacement of [3H]prazosin (0.3 nM) from rat Alpha-1D adrenergic receptor expressed in CHO cells
Drug: prazosin
Target: Mu-type opioid receptor (GPCR)
Gene: Oprm1
UniProt: P33535 (OPRM_RAT)
Organism: Rattus norvegicus
Activity: Ki = 9.7
Assay: Compound was evaluated for binding affinity towards mu-specific opiate receptor from combinatorial peptoid library
Drug: prazosin
Target: D(2) dopamine receptor (GPCR)
Gene: Drd2
UniProt: P61169 (DRD2_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 4.96
Assay: Inhibition of [3H]spiperone binding to Dopamine receptor D2 from rat striatal membranes
Drug: prazosin
Target: 5-hydroxytryptamine receptor 1A (GPCR)
Gene: Htr1a
UniProt: P19327 (5HT1A_RAT)
Organism: Rattus norvegicus
Activity: Ki = 5.63
Assay: The compound was tested for binding affinity on [3H]8-OH-DPAT as specific ligand on 5-hydroxytryptamine 1A receptor in rat hippocampus
Drug: prazosin
Target: 5-hydroxytryptamine receptor 2A (GPCR)
Gene: Htr2a
UniProt: P14842 (5HT2A_RAT)
Organism: Rattus norvegicus
Activity: Ki = 5.82
Assay: Displacement of [3H]ketanserin (0.5 nM) from rat cerebral cortex 5-hydroxytryptamine 2A receptors
Drug: prazosin
Target: Alpha-2A adrenergic receptor (GPCR)
Gene: Adra2a
UniProt: P22909 (ADA2A_RAT)
Organism: Rattus norvegicus
Activity: Ki = 5.78
Assay: The compound was tested for binding affinity against alpha-2d-adrenoceptor, from rat clones.
Drug: prazosin
Target: Alpha-1A adrenergic receptor (GPCR)
Gene: ADRA1A
UniProt: P18130 (ADA1A_BOVIN)
Organism: Bos taurus
Activity: Ki = 9.77
Assay: Binding affinity against Alpha-1A adrenergic receptor from bovine clone
Drug: prazosin
Target: Alpha-2A adrenergic receptor (GPCR)
Gene: ADRA2A
UniProt: P18871 (ADA2A_PIG)
Organism: Sus scrofa
Activity: Ki = 5.39
Assay: Compound was evaluated for inhibition of binding of [3H]-RX 821002 to Alpha-2 adrenergic receptor in porcine alpha2-clone
Drug: prazosin
Target: Alpha-2A adrenergic receptor (GPCR)
Gene: ADRA2A
UniProt: Q28838 (ADA2A_BOVIN)
Organism: Bos taurus
Activity: Ki = 6.97
Assay: Compound was evaluated for inhibition of binding of [3H]MK-91 to Alpha-2 adrenergic receptor in bovine pineal
Drug: prazosin
Target: Alpha-1B adrenergic receptor (GPCR)
Gene: ADRA1B
UniProt: P18841 (ADA1B_MESAU)
Organism: Mesocricetus auratus
Activity: Ki = 9.08
Assay: Displacement of [3H]prazosin (0.5 nM) from hamster Alpha-1B adrenergic receptor expressed in rat-1 cells
Drug: prazosin
Target: Solute carrier family 22 member 2 (Transporter)
Gene: SLC22A2
UniProt: O15244 (S22A2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.87
Assay: Inhibition of human OCT2-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay
Drug: prazosin
Target: Multidrug and toxin extrusion protein 1 (Transporter)
Gene: SLC47A1
UniProt: Q96FL8 (S47A1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.8
Assay: Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay
Drug: prazosin
Target: Multidrug and toxin extrusion protein 2 (Transporter)
Gene: SLC47A2
UniProt: Q86VL8 (S47A2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.42
Assay: Inhibition of human MATE2K-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay
Drug: prazosin
Target: Adrenergic receptor alpha-2 (GPCR)
Gene: Adra2b|Adra2c|Adra2a
UniProt: P19328|P22086|P22909 (ADA2B_RAT|ADA2C_RAT|ADA2A_RAT)
Organism: Rattus norvegicus
Activity: Ki = 9.4
Assay: Binding affinity against alpha-2 adrenergic receptor was determined by the displacement of [3H]prazosin from rat brain cortical membranes
Drug: prazosin
Target: Adrenergic receptor alpha-1 (GPCR)
Gene: Adra1b|Adra1d|Adra1a
UniProt: P15823|P23944|P43140 (ADA1B_RAT|ADA1D_RAT|ADA1A_RAT)
Organism: Rattus norvegicus
Activity: Kd = 10.99
Assay: Alpha-1-adrenolytic activity was assessed in vitro from the ability to inhibit clonidine binding to rat aorta preparation
Drug: prazosin
Target: Sodium channel alpha subunits; brain (Types I, II, III) (Ion channel)
Gene: SCN1A|SCN2A|SCN3A
UniProt: P35498|Q99250|Q9NY46 (SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5
Assay: Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea pig cerebral cortex
Drug: prazosin
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: IC50 = 4.38
Assay: Inhibition of [3H]spiperone binding to 5-hydroxytryptamine 2 receptor from rat cortical membranes
Drug: prazosin
Target: Alpha-2 adrenergic receptor (GPCR)
Gene: Adra2b|Adra2c|Adra2a
UniProt: P30545|Q01337|Q01338 (ADA2B_MOUSE|ADA2C_MOUSE|ADA2A_MOUSE)
Organism: Mus musculus
Activity: Ki = 7.89
Assay: Compound was evaluated for inhibition of binding of [3H]-MK-91 to Alpha-2 adrenergic receptor in mouse NG-108 cells
Drug: prazosin
Target: Beta-casein (Unclassified)
Gene: Csn2
UniProt: P02665 (CASB_RAT)
Organism: Rattus norvegicus
Activity: Ki = 9.44
Drug: acetic acid
Target: Tyrosine-protein kinase Lck (Kinase)
Gene: LCK
UniProt: P06239 (LCK_HUMAN)
Organism: Homo sapiens
Activity: Kd = 6.19
Assay: Dissociation constant for binding to SH2 domain of p56 lck tyrosine kinase
Drug: acetic acid
Target: Tyrosine-protein kinase Fyn (Kinase)
Gene: FYN
UniProt: P06241 (FYN_HUMAN)
Organism: Homo sapiens
Activity: Kd = 6.05
Assay: Dissociation constant for binding to SH2 domain of Fyn protein kinase
Drug: acetic acid
Target: Free fatty acid receptor 2 (GPCR)
Gene: FFAR2
UniProt: O15552 (FFAR2_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 4.6
Action type: AGONIST
Drug: acetic acid
Target: Free fatty acid receptor 3 (GPCR)
Gene: FFAR3
UniProt: O14843 (FFAR3_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 4.92
Assay: Agonist activity at human GPCR41 transfected in HEK293 cells assessed as [35S]GTPgammaS binding by scintillation counting method
Drug: hydrocortisone acetate
Target: Glucocorticoid receptor (Nuclear hormone receptor)
Gene: NR3C1
UniProt: P04150 (GCR_HUMAN)
Organism: Homo sapiens
Action type: AGONIST
Assay: Mechanism of Action; CHEMBL2034; SINGLE PROTEIN
Drug: hydrocortisone acetate
Target: Corticosteroid-binding globulin (Secreted)
Gene: SERPINA6
UniProt: P08185 (CBG_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.55
Drug: methyldopate
Target: Adrenergic receptor alpha-2 (GPCR)
Gene: ADRA2A|ADRA2B|ADRA2C
UniProt: P08913|P18089|P18825 (ADA2A_HUMAN|ADA2B_HUMAN|ADA2C_HUMAN)
Organism: Homo sapiens
Action type: AGONIST
Assay: Mechanism of Action; CHEMBL2095158; PROTEIN FAMILY
Drug: sodium phosphate
Target: Carbonic anhydrase 4 (Enzyme)
Gene: CA4
UniProt: P22748 (CAH4_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.01
Assay: Inhibition constant of anion against human carbonic anhydrase isozyme hCA IV
Drug: telbivudine
Target: Capsid protein (Unclassified)
Gene: HBcAg
UniProt: Q03732 (Q03732_HBV)
Organism: Hepatitis B virus
Activity: EC50 = 6.09
Assay: Inhibition of hepatitis B virus capsid assembly infected in human HepG2.215 cells assessed as reduction in viral DNA replication measured on day 7 by real time PCR analysis
Drug: telbivudine
Target: Protein P (Polyprotein)
Gene: P
UniProt: Q9IF40 (Q9IF40_HBV)
Organism: Hepatitis B virus
Activity: EC50 = 5.886
Action type: INHIBITOR
Assay: first strand synthesis
Drug: mequinol
Target: Tyrosinase (Enzyme)
Gene: TYR
UniProt: P14679 (TYRO_HUMAN)
Organism: Homo sapiens
Action type: INHIBITOR
Assay: Mechanism of Action; CHEMBL1973; SINGLE PROTEIN
Drug: vilazodone
Target: D(2) dopamine receptor (GPCR)
Gene: DRD2
UniProt: P14416 (DRD2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.18
Action type: AGONIST
Drug: vilazodone
Target: Sodium-dependent serotonin transporter (Transporter)
Gene: SLC6A4
UniProt: P31645 (SC6A4_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 9.3
Action type: INHIBITOR
Drug: vilazodone
Target: 5-hydroxytryptamine receptor 1A (GPCR)
Gene: HTR1A
UniProt: P08908 (5HT1A_HUMAN)
Organism: Homo sapiens
Activity: Ki = 9.7
Action type: AGONIST
Assay: Binding of vilazodone to human 5-HT<sub>1A</sub> receptors against [<sup></sup>3H]8-OH-DPAT (DPAT)
Drug: vilazodone
Target: 5-hydroxytryptamine receptor 7 (GPCR)
Gene: HTR7
UniProt: P34969 (5HT7R_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.41
Assay: Displacement of [3H]-LSD from 5HT7 receptor (unknown origin) expressed in CHO cell membranes incubated for 120 mins by scintillation counting method
Drug: vilazodone
Target: D(3) dopamine receptor (GPCR)
Gene: DRD3
UniProt: P35462 (DRD3_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.15
Action type: AGONIST
Drug: vilazodone
Target: Histamine H1 receptor (GPCR)
Gene: HRH1
UniProt: P35367 (HRH1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.5
Action type: AGONIST
Drug: vilazodone
Target: 5-hydroxytryptamine receptor 4 (GPCR)
Gene: HTR4
UniProt: Q13639 (5HT4R_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.6
Action type: AGONIST
Drug: vilazodone
Target: 5-hydroxytryptamine receptor 1B (GPCR)
Gene: Htr1b
UniProt: P28564 (5HT1B_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 5.3
Assay: Inhibition of rat hydroxytryptamine 1B receptor
Drug: vilazodone
Target: D(2) dopamine receptor (GPCR)
Gene: Drd2
UniProt: P61169 (DRD2_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 6.18
Assay: Displacement of [3H]spiperone from dopamine D2 receptor of rat striatal membranes
Drug: vilazodone
Target: 5-hydroxytryptamine receptor 1A (GPCR)
Gene: Htr1a
UniProt: P19327 (5HT1A_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 9.52
Assay: Inhibition of 8-OH DPAT binding to rat hydroxytryptamine 1A receptor expressed in CHO cells
Drug: vilazodone
Target: Sodium-dependent serotonin transporter (Transporter)
Gene: Slc6a4
UniProt: P31652 (SC6A4_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 9.3
Assay: Inhibition of [3H]5-HT re-uptake in rat synaptosomes
Drug: vilazodone
Target: 5-hydroxytryptamine receptor 2A (GPCR)
Gene: Htr2a
UniProt: P14842 (5HT2A_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 5.82
Assay: Inhibition of rat hydroxytryptamine 2A receptor
Drug: vilazodone
Target: 5-hydroxytryptamine receptor 7 (GPCR)
Gene: Htr7
UniProt: P32305 (5HT7R_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 5.52
Assay: Inhibition of rat hydroxytryptamine 7 receptor
Drug: vilazodone
Target: Acetylcholinesterase (Enzyme)
Gene: Ache
UniProt: P37136 (ACES_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 4.67
Assay: Inhibition of rat cortex AChE using acetylthiocholine iodide as substrate after 20 mins by by Ellman's method
Drug: vilazodone
Target: 5-hydroxytryptamine receptor 2C (GPCR)
Gene: Htr2c
UniProt: P08909 (5HT2C_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 5.7
Assay: Inhibition of rat hydroxytryptamine 2C receptor
Drug: vilazodone
Target: 5-hydroxytryptamine receptor 4 (GPCR)
Gene: Htr4
UniProt: Q62758 (5HT4R_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 6.6
Assay: Inhibition of rat hydroxytryptamine 4 receptor
Drug: vilazodone
Target: D(3) dopamine receptor (GPCR)
Gene: Drd3
UniProt: P19020 (DRD3_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 7.15
Assay: Inhibition of rat dopamine D3 receptor
Drug: vilazodone
Target: 5-hydroxytryptamine receptor 1D (GPCR)
Gene: Htr1d
UniProt: P28565 (5HT1D_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 5.4
Assay: Inhibition of rat hydroxytryptamine 1D receptor
Drug: vilazodone
Target: D(4) dopamine receptor (GPCR)
Gene: Drd4
UniProt: P30729 (DRD4_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 5.47
Assay: Inhibition of rat dopamine D4 receptor
Drug: vilazodone
Target: 5-hydroxytryptamine receptor 6 (GPCR)
Gene: Htr6
UniProt: P31388 (5HT6R_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 5.52
Assay: Inhibition of rat hydroxytryptamine 6 receptor
Drug: vilazodone
Target: Serotonin 3 (5-HT3) receptor (Ion channel)
Gene: Htr3a|Htr3b
UniProt: P35563|Q9JJ16 (5HT3A_RAT|5HT3B_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 5.37
Assay: Inhibition against rat hydroxytryptamine 3 receptor