AIM-Harvard/TrialPanorama-filtered huggingface dataset:
Drug: tofacitinib
Target: Serine/threonine-protein kinase ULK3 (Kinase)
Gene: ULK3
UniProt: Q6PHR2 (ULK3_HUMAN)
Organism: Homo sapiens
Activity: Kd = 5.19
Assay: Binding constant for ULK3 kinase domain
Drug: tofacitinib
Target: Tyrosine-protein kinase JAK3 (Kinase)
Gene: Jak3
UniProt: Q62137 (JAK3_MOUSE)
Organism: Mus musculus
Activity: IC50 = 7.32
Assay: Inhibition of Jak3-mediated IL2-induced Stat5 phosphorylation in mouse CTLL cells by cell-based assay
Drug: tofacitinib
Target: Leucine-rich repeat serine/threonine-protein kinase 2 (Kinase)
Gene: LRRK2
UniProt: Q5S007 (LRRK2_HUMAN)
Organism: Homo sapiens
Activity: Kd = 6.26
Assay: Binding constant for LRRK2(G2019S) kinase domain
Drug: tofacitinib
Target: Tyrosine-protein kinase JAK2 (Kinase)
Gene: Jak2
UniProt: Q62120 (JAK2_MOUSE)
Organism: Mus musculus
Activity: IC50 = 5.69
Assay: Inhibition of JAK2 in C57BL/6 mouse whole blood assessed as inhibition of GM-CSF-stimulated STAT5a phosphorylation after 30 mins by flow cytometric analysis
Drug: tofacitinib
Target: Serine/threonine-protein kinase PknB (Kinase)
Gene: pknB
UniProt: P9WI81 (PKNB_MYCTU)
Organism: Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Activity: Kd = 5.7
Assay: Binding constant for PKNB(M.tuberculosis) kinase domain
Drug: tofacitinib
Target: JAK1/TYK2 (Kinase)
Gene: JAK1|TYK2
UniProt: P23458|P29597 (JAK1_HUMAN|TYK2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.46
Action type: INHIBITOR
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: tofacitinib
Target: JAK1/JAK2/TYK2 (Kinase)
Gene: JAK2|JAK1|TYK2
UniProt: O60674|P23458|P29597 (JAK2_HUMAN|JAK1_HUMAN|TYK2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.12
Action type: INHIBITOR
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: tofacitinib
Target: JAK2/TYK2 (Kinase)
Gene: JAK2|TYK2
UniProt: O60674|P29597 (JAK2_HUMAN|TYK2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.64
Action type: INHIBITOR
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: tofacitinib
Target: Tyrosine-protein kinase JAK3 (Kinase)
Gene: Jak3
UniProt: Q63272 (JAK3_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 5.92
Assay: Inhibition of JAK3 in rat splenocytic T cells assessed as reduction in IL-2-induced cell proliferation after 72 hrs by MTS assay
Drug: tofacitinib
Target: JAK2/JAK1 (Kinase)
Gene: JAK2|JAK1
UniProt: O60674|P23458 (JAK2_HUMAN|JAK1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.391
Action type: INHIBITOR
Assay: Mechanism of Action
Drug: tofacitinib
Target: JAK3/JAK1 (Kinase)
Gene: JAK1|JAK3
UniProt: P23458|P52333 (JAK1_HUMAN|JAK3_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.252
Action type: INHIBITOR
Assay: Mechanism of Action
Drug: cabozantinib
Target: Macrophage-stimulating protein receptor (Kinase)
Gene: MST1R
UniProt: Q04912 (RON_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.907
Action type: INHIBITOR
Drug: cabozantinib
Target: Epidermal growth factor receptor (Kinase)
Gene: EGFR
UniProt: P00533 (EGFR_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.65
Assay: Inhibition of EGFR (unknown origin) by HTRF method
Drug: cabozantinib
Target: Proto-oncogene tyrosine-protein kinase Src (Kinase)
Gene: SRC
UniProt: P12931 (SRC_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.75
Assay: Inhibition of Src (unknown origin) using poly (Glu,Tyr) 4:1 as substrate after 1 hr by ELISA
Drug: cabozantinib
Target: Vascular endothelial growth factor receptor 1 (Kinase)
Gene: FLT1
UniProt: P17948 (VGFR1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.92
Assay: Inhibition of FLT1 (unknown origin)
Drug: cabozantinib
Target: Vascular endothelial growth factor receptor 3 (Kinase)
Gene: FLT4
UniProt: P35916 (VGFR3_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8.22
Assay: Inhibition of VEGFR3 (unknown origin)
Drug: cabozantinib
Target: Fibroblast growth factor receptor 1 (Kinase)
Gene: FGFR1
UniProt: P11362 (FGFR1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.95
Assay: Inhibition of FLT2 (unknown origin)
Drug: cabozantinib
Target: Aurora kinase A (Kinase)
Gene: AURKA
UniProt: O14965 (AURKA_HUMAN)
Organism: Homo sapiens
Activity: Kd = 5.47
Assay: Further kinetic evaluation of compounds supplied by Sanofi against AuroraA within a BIAcore3000 instrument
Drug: cabozantinib
Target: Tyrosine-protein kinase receptor UFO (Kinase)
Gene: AXL
UniProt: P30530 (UFO_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8.47
Assay: Inhibition of AXL (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 1 hr by ELISA
Drug: cabozantinib
Target: Mast/stem cell growth factor receptor Kit (Kinase)
Gene: KIT
UniProt: P10721 (KIT_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8.337
Action type: INHIBITOR
Drug: cabozantinib
Target: Receptor-type tyrosine-protein kinase FLT3 (Kinase)
Gene: FLT3
UniProt: P36888 (FLT3_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.947
Action type: INHIBITOR
Drug: cabozantinib
Target: Proto-oncogene tyrosine-protein kinase receptor Ret (Kinase)
Gene: RET
UniProt: P07949 (RET_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8.284
Action type: INHIBITOR
Drug: cabozantinib
Target: Vascular endothelial growth factor receptor 2 (Kinase)
Gene: KDR
UniProt: P35968 (VGFR2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 10.456
Action type: INHIBITOR
Drug: cabozantinib
Target: Angiopoietin-1 receptor (Kinase)
Gene: TEK
UniProt: Q02763 (TIE2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.845
Action type: INHIBITOR
Drug: cabozantinib
Target: Hepatocyte growth factor receptor (Kinase)
Gene: MET
UniProt: P08581 (MET_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8.886
Action type: INHIBITOR
Drug: ponatinib
Target: Platelet-derived growth factor receptor beta (Kinase)
Gene: PDGFRB
UniProt: P09619 (PGFRB_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8.92
Assay: Inhibition of recombinant PDGFRbeta (unknown origin) using poly (Glu,Tyr) 4:1 as substrate after 60 mins by ELISA
Drug: ponatinib
Target: Tyrosine-protein kinase ABL1 (Kinase)
Gene: ABL1
UniProt: P00519 (ABL1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 9.432
Action type: INHIBITOR
Drug: ponatinib
Target: Mast/stem cell growth factor receptor Kit (Kinase)
Gene: KIT
UniProt: P10721 (KIT_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.903
Action type: INHIBITOR
Drug: ponatinib
Target: Breakpoint cluster region protein (Kinase)
Gene: BCR
UniProt: P11274 (BCR_HUMAN)
Organism: Homo sapiens
Action type: INHIBITOR
Assay: Mechanism of Action; CHEMBL5146; SINGLE PROTEIN
Drug: ponatinib
Target: Proto-oncogene tyrosine-protein kinase Src (Kinase)
Gene: SRC
UniProt: P12931 (SRC_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8.52
Drug: ponatinib
Target: Receptor-type tyrosine-protein kinase FLT3 (Kinase)
Gene: FLT3
UniProt: P36888 (FLT3_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 9.52
Assay: Inhibition of FLT3 in human MV4-11 cells
Drug: ponatinib
Target: Proto-oncogene tyrosine-protein kinase receptor Ret (Kinase)
Gene: RET
UniProt: P07949 (RET_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.59
Drug: ponatinib
Target: Vascular endothelial growth factor receptor 2 (Kinase)
Gene: KDR
UniProt: P35968 (VGFR2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8.824
Action type: INHIBITOR
Drug: ponatinib
Target: Platelet-derived growth factor receptor alpha (Kinase)
Gene: PDGFRA
UniProt: P16234 (PGFRA_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8.959
Action type: INHIBITOR
Drug: ponatinib
Target: Fibroblast growth factor receptor 3 (Kinase)
Gene: FGFR3
UniProt: P22607 (FGFR3_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8.03
Assay: Inhibition of recombinant FGFR3 (unknown origin) using poly (Glu,Tyr) 4:1 as substrate after 60 mins by ELISA
Drug: ponatinib
Target: Tyrosine-protein kinase CSK (Kinase)
Gene: CSK
UniProt: P41240 (CSK_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8.268
Action type: INHIBITOR
Drug: ponatinib
Target: Tyrosine-protein kinase Lyn (Kinase)
Gene: LYN
UniProt: P07948 (LYN_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 9.62
Action type: INHIBITOR
Drug: ponatinib
Target: Fibroblast growth factor receptor 1 (Kinase)
Gene: FGFR1
UniProt: P11362 (FGFR1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8.658
Action type: INHIBITOR
Drug: ponatinib
Target: Fibroblast growth factor receptor 2 (Kinase)
Gene: FGFR2
UniProt: P21802 (FGFR2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8.89
Assay: Inhibition of recombinant FGFR2 (unknown origin) using poly (Glu,Tyr) 4:1 as substrate after 60 mins by ELISA
Drug: ponatinib
Target: Receptor-interacting serine/threonine-protein kinase 2 (Kinase)
Gene: RIPK2
UniProt: O43353 (RIPK2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8.17
Assay: Inhibition of human RIPK2 expressed in Sf9 cells after 1 hr by ADP-Glo assay
Drug: ponatinib
Target: Proto-oncogene tyrosine-protein kinase Src (Kinase)
Gene: SRC
UniProt: P00523 (SRC_CHICK)
Organism: Gallus gallus
Activity: IC50 = 9.05
Assay: Inhibition of chicken wild-type cSRC (251 to 533)-mediated phosphorylation of biotinylated poly-Glu-Tyr expressed in Escherichia coli BL21(DE3) preincubated for 30 to 60 mins prior to substrate addition by TR-FRET assay
Drug: ponatinib
Target: Cyclin-dependent kinase 19 (Kinase)
Gene: CDK19
UniProt: Q9BWU1 (CDK19_HUMAN)
Organism: Homo sapiens
Activity: Kd = 7.92
Action type: INHIBITOR
Assay: CDK19/cyclin C.
Drug: ponatinib
Target: Cyclin-dependent kinase 8 (Kinase)
Gene: CDK8
UniProt: P49336 (CDK8_HUMAN)
Organism: Homo sapiens
Activity: Kd = 8.17
Action type: INHIBITOR
Assay: CDK8/cyclin C.
Drug: ponatinib
Target: Receptor-interacting serine/threonine-protein kinase 1 (Kinase)
Gene: RIPK1
UniProt: Q13546 (RIPK1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.92
Action type: INHIBITOR
Assay: Inhibition of recombinant RIPK1 in an <i>in vitro</i> ADP-Glo assay (Promega).
Drug: ponatinib
Target: Fibroblast growth factor receptor 4 (Kinase)
Gene: FGFR4
UniProt: P22455 (FGFR4_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8.15
Assay: Inhibition of recombinant FGFR4 (unknown origin) using poly (Glu,Tyr) 4:1 as substrate after 60 mins by ELISA
Drug: ponatinib
Target: Bcr/Abl fusion protein (Kinase)
Gene: ABL1|BCR
UniProt: P00519|P11274 (ABL1_HUMAN|BCR_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 9.3
Assay: Inhibition of BCR/ABL (unknown origin)
Drug: ponatinib
Target: Receptor-interacting serine/threonine-protein kinase 3 (Kinase)
Gene: RIPK3
UniProt: Q9Y572 (RIPK3_HUMAN)
Organism: Homo sapiens
Activity: Ki = 8.8
Action type: INHIBITOR
Assay: Inhibition of recombinant RIPK3 in an <i>in vitro</i> ADP-Glo assay (Promega).
Drug: teduglutide
Target: Glucagon-like peptide 2 receptor (GPCR)
Gene: GLP2R
UniProt: O95838 (GLP2R_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 10.05
Action type: AGONIST
Assay: Agonist activity at human GLP2R expressed in HEK293 cells after 5 hrs by luciferase reporter gene assay
Drug: teduglutide
Target: Glucagon-like peptide 2 receptor (GPCR)
Gene: Glp2r
UniProt: Q9Z0W0 (GLP2R_RAT)
Organism: Rattus norvegicus
Activity: EC50 = 10.1
Assay: Agonist activity at rat GLP2R expressed in HEK293 cells after 5 hrs by luciferase reporter gene assay
Drug: daunorubicinol
Target: Multidrug resistance protein 1 (Transporter)
Gene: ABCB1
UniProt: P08183 (MDR1_HUMAN)
Organism: Homo sapiens
Drug: daunorubicinol
Target: DNA topoisomerase 2-alpha (Enzyme)
Gene: TOP2A
UniProt: P11388 (TOP2A_HUMAN)
Organism: Homo sapiens
Drug: daunorubicinol
Target: Multidrug resistance-associated protein 1 (Transporter)
Gene: ABCC1
UniProt: P33527 (MRP1_HUMAN)
Organism: Homo sapiens
Drug: daunorubicinol
Target: ATP-binding cassette sub-family G member 2 (Transporter)
Gene: ABCG2
UniProt: Q9UNQ0 (ABCG2_HUMAN)
Organism: Homo sapiens
Drug: daunorubicinol
Target: Multidrug resistance-associated protein 6 (Transporter)
Gene: ABCC6
UniProt: O95255 (MRP6_HUMAN)
Organism: Homo sapiens
Drug: lomitapide
Target: Microsomal triglyceride transfer protein large subunit (Cytosolic other)
Gene: MTTP
UniProt: P55157 (MTP_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8.097
Action type: INHIBITOR
Drug: succinimide
Target: Protein cereblon (Cytosolic other)
Gene: CRBN
UniProt: Q96SW2 (CRBN_HUMAN)
Organism: Homo sapiens
Activity: Ki = 4.58
Assay: Inhibition of MANT-uracil binding to human CRBN (delta 1 to 315) by Cheng-Prusoff equation analysis
Drug: succinimide
Target: Cereblon isoform 4 (Unclassified)
UniProt: A4TVL0 (A4TVL0_9PROT)
Organism: Magnetospirillum gryphiswaldense
Activity: Ki = 5.37
Assay: Inhibition of MANT-uracil binding to wild type Magnetospirillum gryphiswaldense cereblon isoform 4 by Cheng-Prusoff equation analysis
Drug: tacalcitol
Target: Vitamin D3 receptor (Nuclear hormone receptor)
Gene: VDR
UniProt: P11473 (VDR_HUMAN)
Organism: Homo sapiens
Activity: Kd = 8.5
Action type: AGONIST
Drug: tenidap
Target: Prostaglandin G/H synthase 2 (Enzyme)
Gene: PTGS2
UniProt: P35354 (PGH2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.573
Assay: DRUGMATRIX: Cyclooxygenase COX-2 enzyme inhibition (substrate: Arachidonic acid)
Drug: tenidap
Target: Prostaglandin G/H synthase 1 (Enzyme)
Gene: PTGS1
UniProt: P23219 (PGH1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.26
Assay: DRUGMATRIX: Cyclooxygenase COX-1 enzyme inhibition (substrate: Arachidonic acid)
Drug: tenidap
Target: Cytochrome P450 2C9 (Enzyme)
Gene: CYP2C9
UniProt: P11712 (CP2C9_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.155
Assay: DRUGMATRIX: CYP450, 2C9 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)
Drug: tenidap
Target: Cytochrome P450 1A2 (Enzyme)
Gene: CYP1A2
UniProt: P05177 (CP1A2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6
Assay: DRUGMATRIX: CYP450, 1A2 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)
Drug: tenidap
Target: Arachidonate 5-lipoxygenase (Enzyme)
Gene: Alox5
UniProt: P12527 (LOX5_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 5.05
Assay: In vitro inhibition of 5-lipoxygenase pathway in rat basophilic leukemia (RBL-1) cells
Drug: tenidap
Target: Prostaglandin G/H synthase 1 (Enzyme)
Gene: PTGS1
UniProt: O97554 (PGH1_RABIT)
Organism: Oryctolagus cuniculus
Activity: IC50 = 5.59
Assay: Inhibition of COX-1 in rabbit peripheral venous blood assessed as formation of 12-hydroxyheptadecatrienoic acid after 24 hrs by HPLC in presence of calcium ionophore A23187
Drug: tenidap
Target: Prostaglandin G/H synthase 2 (Enzyme)
Gene: PTGS2
UniProt: O02768 (PGH2_RABIT)
Organism: Oryctolagus cuniculus
Activity: IC50 = 5.08
Assay: Inhibition of COX-2 in rabbit peripheral venous blood assessed as formation of 12-hydroxyheptadecatrienoic acid after 24 hrs in by HPLC presence of calcium ionophore A23188 and lipopolysaccharide
Drug: tenidap
Target: Cyclooxygenase (Enzyme)
Gene: Ptgs2|Ptgs1
UniProt: P35355|Q63921 (PGH2_RAT|PGH1_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 8
Assay: In vitro inhibition of Prostaglandin G/H synthase pathway in rat basophilic leukemia (RBL-1) cells
Drug: tenidap
Target: Inward rectifier potassium channel 4 (Ion channel)
Gene: KCNJ4
UniProt: P48050 (KCNJ4_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 6.4
Action type: ACTIVATOR
Drug: thiocolchicoside
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 = 5.72
Assay: Displacement of [3H]muscimol from GABA-A receptor in Sprague-Dawley rat spinal cord
Drug: thiocolchicoside
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: IC50 = 6.699
Action type: NEGATIVE MODULATOR
Assay: inhibition of GABA-induced Cl- current in human GABAA receptor expressed in Xenopus oocytes
Drug: thiocolchicoside
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: IC50 = 6.886
Action type: NEGATIVE MODULATOR
Assay: inhibition of GABA-induced Cl- current in human GABAA receptor expressed in Xenopus oocytes
Drug: thiocolchicoside
Target: GABA A receptor alpha-1/beta-1/gamma-2 (Ion channel)
Gene: GABRA1|GABRB1|GABRG2
UniProt: P14867|P18505|P18507 (GBRA1_HUMAN|GBRB1_HUMAN|GBRG2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.824
Action type: NEGATIVE MODULATOR
Assay: inhibition of GABA-induced Cl- current in human GABAA receptor expressed in Xenopus oocytes
Drug: thioctic acid
Target: Acetylcholinesterase (Enzyme)
Gene: ACHE
UniProt: P22303 (ACES_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 9
Assay: Inhibition of human AchE
Drug: thioctic acid
Target: SUMO-activating enzyme (Enzyme)
Gene: SAE1|UBA2
UniProt: Q9UBE0|Q9UBT2 (SAE1_HUMAN|SAE2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.32
Assay: PUBCHEM_BIOASSAY: uHTS HTRF assay for identification of inhibitors of SUMOylation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2011, AID2018, AID2069, AID2614, AID2658]
Drug: thioctic acid
Target: Bifunctional protein GlmU (Enzyme)
Gene: glmU
UniProt: P9WMN3 (GLMU_MYCTU)
Organism: Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Activity: IC50 = 5.41
Assay: Active
Drug: thiomersal
Target: Alpha-2A adrenergic receptor (GPCR)
Gene: ADRA2A
UniProt: P08913 (ADA2A_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.699
Assay: DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)
Drug: thiomersal
Target: Sodium-dependent serotonin transporter (Transporter)
Gene: SLC6A4
UniProt: P31645 (SC6A4_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.971
Assay: DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)
Drug: thiomersal
Target: Sodium-dependent noradrenaline transporter (Transporter)
Gene: SLC6A2
UniProt: P23975 (SC6A2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.035
Assay: DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)
Drug: thiomersal
Target: 5-hydroxytryptamine receptor 6 (GPCR)
Gene: HTR6
UniProt: P50406 (5HT6R_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.56
Assay: DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT6 radioligand binding (ligand: [3H] Lysergic acid diethylamide)
Drug: thiomersal
Target: Alpha-2B adrenergic receptor (GPCR)
Gene: ADRA2B
UniProt: P18089 (ADA2B_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.071
Assay: DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)
Drug: thiomersal
Target: D(3) dopamine receptor (GPCR)
Gene: DRD3
UniProt: P35462 (DRD3_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.538
Assay: DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)
Drug: thiomersal
Target: Alpha-2C adrenergic receptor (GPCR)
Gene: ADRA2C
UniProt: P18825 (ADA2C_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.135
Assay: DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912)
Drug: thiomersal
Target: Cytochrome P450 2D6 (Enzyme)
Gene: CYP2D6
UniProt: P10635 (CP2D6_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.523
Assay: DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)
Drug: thiomersal
Target: Adenosine receptor A3 (GPCR)
Gene: ADORA3
UniProt: P0DMS8 (AA3R_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.718
Assay: DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA)
Drug: thiomersal
Target: Carbonic anhydrase 4 (Enzyme)
Gene: CA4
UniProt: P22748 (CAH4_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.25
Assay: Inhibition of human recombinant carbonic anhydrase 4 preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method
Drug: thiomersal
Target: Carbonic anhydrase 12 (Enzyme)
Gene: CA12
UniProt: O43570 (CAH12_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.16
Assay: Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method
Drug: thiomersal
Target: Carbonic anhydrase 5A, mitochondrial (Enzyme)
Gene: CA5A
UniProt: P35218 (CAH5A_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.14
Assay: Inhibition of human recombinant carbonic anhydrase 5A preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method
Drug: thiomersal
Target: Carbonic anhydrase 5B, mitochondrial (Enzyme)
Gene: CA5B
UniProt: Q9Y2D0 (CAH5B_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.23
Assay: Inhibition of human recombinant carbonic anhydrase 5B preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method
Drug: thiomersal
Target: Carbonic anhydrase 7 (Enzyme)
Gene: CA7
UniProt: P43166 (CAH7_HUMAN)
Organism: Homo sapiens
Activity: Ki = 4.96
Assay: Inhibition of human recombinant carbonic anhydrase 7 preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method
Drug: thiomersal
Target: Toll-like receptor 9 (Membrane receptor)
Gene: TLR9
UniProt: Q9NR96 (TLR9_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.2
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: thiomersal
Target: Carbonic anhydrase 3 (Enzyme)
Gene: CA3
UniProt: P07451 (CAH3_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.2
Assay: Inhibition of human recombinant carbonic anhydrase 3 preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method
Drug: thiomersal
Target: Carbonic anhydrase 6 (Enzyme)
Gene: CA6
UniProt: P23280 (CAH6_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.29
Assay: Inhibition of human recombinant carbonic anhydrase 6 preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method
Drug: thiomersal
Target: Carbonic anhydrase 14 (Enzyme)
Gene: CA14
UniProt: Q9ULX7 (CAH14_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.18
Assay: Inhibition of human recombinant carbonic anhydrase 14 preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method
Drug: thiomersal
Target: Mitogen-activated protein kinase 3 (Kinase)
Gene: MAPK3
UniProt: P27361 (MK03_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.111
Assay: DRUGMATRIX: Protein Serine/Threonine Kinase, ERK1 enzyme inhibition (substrate: Myelin Basic Protein)
Drug: thiomersal
Target: Carbonic anhydrase 13 (Enzyme)
Gene: CA13
UniProt: Q8N1Q1 (CAH13_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.16
Assay: Inhibition of human recombinant carbonic anhydrase 13 preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method
Drug: thiomersal
Target: Beta-lactamase (Enzyme)
Gene: bla(tem-2)
UniProt: Q932Y6 (Q932Y6_PSEAI)
Organism: Pseudomonas aeruginosa
Activity: IC50 = 4.77
Assay: inactive
Drug: bedaquiline
Target: Potassium voltage-gated channel subfamily H member 2 (Ion channel)
Gene: KCNH2
UniProt: Q12809 (KCNH2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.43
Assay: Inhibition of human ERG
Drug: bedaquiline
Target: ATP synthase (Enzyme)
Gene: atpE|atpD|atpA|atpG|atpC|atpFH|atpF|atpB
UniProt: P9WPS1|P9WPU5|P9WPU7|P9WPU9|P9WPV1|P9WPV3|P9WPV5|P9WPV7 (ATPL_MYCTU|ATPB_MYCTU|ATPA_MYCTU|ATPG_MYCTU|ATPE_MYCTU|ATPFD_MYCTU|ATPF_MYCTU|ATP6_MYCTU)
Organism: Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Action type: INHIBITOR
Assay: Mechanism of Action; CHEMBL2364166; PROTEIN COMPLEX
Drug: bedaquiline
Target: ATP synthase subunit c (Enzyme)
Gene: atpE
UniProt: Q5TIX5 (Q5TIX5_MYCSM)
Organism: Mycobacterium smegmatis
Activity: IC50 = 8.6