AIM-Harvard/TrialPanorama-filtered huggingface dataset:
Drug: fluoroestradiol F 18
Target: Estrogen receptor (Nuclear hormone receptor)
Gene: ESR1
UniProt: P03372 (ESR1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 10.07
Action type: BINDING AGENT
Assay: Activity determined in an ER-positive human breast cancer cell line
Drug: flortaucipir F 18
Target: Microtubule-associated protein tau (Structural)
Gene: MAPT
UniProt: P10636 (TAU_HUMAN)
Organism: Homo sapiens
Activity: Kd = 9.24
Action type: BINDING AGENT
Drug: inebilizumab
Target: Low affinity immunoglobulin gamma Fc region receptor III-A (Membrane receptor)
Gene: FCGR3A
UniProt: P08637 (FCG3A_HUMAN)
Organism: Homo sapiens
Activity: Kd = 7.11
Action type: ANTIBODY BINDING
Assay: Receptor variant V158
Drug: inebilizumab
Target: B-lymphocyte antigen CD19 (Surface antigen)
Gene: CD19
UniProt: P15391 (CD19_HUMAN)
Organism: Homo sapiens
Activity: Kd = 9.8
Action type: ANTIBODY BINDING
Drug: remimazolam
Target: GABA A receptor alpha-3/beta-2/gamma-2 (Ion channel)
Gene: Gabrg2|Gabra3|Gabrb2
UniProt: P18508|P20236|P63138 (GBRG2_RAT|GBRA3_RAT|GBRB2_RAT)
Organism: Rattus norvegicus
Activity: EC50 = 6.04
Action type: MODULATOR
Assay: Enhancement of GABA currents in Ltk cells stably transfected with GABA-A receptor subtypes
Drug: remimazolam
Target: GABA-A receptor; alpha-1/beta-2/gamma-2 (Ion channel)
Gene: Gabrg2|Gabra1|Gabrb2
UniProt: P18508|P62813|P63138 (GBRG2_RAT|GBRA1_RAT|GBRB2_RAT)
Organism: Rattus norvegicus
Activity: EC50 = 6.44
Action type: MODULATOR
Assay: Enhancement of GABA currents in Ltk cells stably transfected with GABA-A receptor subtypes
Drug: remimazolam
Target: GABA A receptor alpha-2/beta-2/gamma-2 (Ion channel)
Gene: Gabrg2|Gabra2|Gabrb2
UniProt: P18508|P23576|P63138 (GBRG2_RAT|GBRA2_RAT|GBRB2_RAT)
Organism: Rattus norvegicus
Activity: EC50 = 6.18
Action type: MODULATOR
Assay: Enhancement of GABA currents in Ltk cells stably transfected with GABA-A receptor subtypes
Drug: remimazolam
Target: GABA A receptor alpha-5/beta-2/gamma-2 (Ion channel)
Gene: Gabra5|Gabrb2|Gabrg2
UniProt: P19969|P63138|P18508 (GBRA5_RAT|GBRB2_RAT|GBRG2_RAT)
Organism: Rattus norvegicus
Activity: EC50 = 5.86
Action type: MODULATOR
Assay: Enhancement of GABA currents in Ltk cells stably transfected with GABA-A receptor subtypes
Drug: remimazolam
Target: GABA-A receptor; benzodiazepine binding site (Ion channel)
Gene: GABRA1|GABRA2|GABRA3|GABRA5|GABRG1|GABRG2|GABRG3
UniProt: P14867|P47869|P34903|P31644|Q8N1C3|P18507|Q99928 (GBRA1_HUMAN|GBRA2_HUMAN|GBRA3_HUMAN|GBRA5_HUMAN|GBRG1_HUMAN|GBRG2_HUMAN|GBRG3_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.53
Action type: MODULATOR
Assay: Competed for [3H]flunitrazepam binding to tissue homogenates from human cerebral cortex membranes
Drug: fostemsavir
Target: Envelope glycoprotein gp160 (Viral envelope protein)
Gene: env
UniProt: Q75760 (Q75760_9HIV1)
Organism: Human immunodeficiency virus 1
Activity: Kd = 9.08
Action type: INHIBITOR
Drug: inqovi
Target: Cytidine deaminase (Enzyme)
Gene: CDA
UniProt: P32320 (CDD_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.39
Action type: INHIBITOR
Assay: Mechanism of Action
Drug: abametapir
Target: C-C chemokine receptor type 5 (GPCR)
Gene: CCR5
UniProt: P51681 (CCR5_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 5.64
Assay: Allosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation counting analysis
Drug: abametapir
Target: C-C chemokine receptor type 1 (GPCR)
Gene: CCR1
UniProt: P32246 (CCR1_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 4.8
Assay: Allosteric modulation at human CCR1 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as {3H]IP3 turnover by liquid scintillation counting analysis
Drug: abametapir
Target: C-C chemokine receptor type 8 (GPCR)
Gene: CCR8
UniProt: P51685 (CCR8_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 5.12
Assay: Allosteric modulation at human CCR8 transfected in COS7 cells assessed as [3H]IP3 turnover by liquid scintillation counting analysis
Drug: tafasitamab
Target: B-lymphocyte antigen CD19 (Surface antigen)
Gene: CD19
UniProt: P15391 (CD19_HUMAN)
Organism: Homo sapiens
Activity: Kd = 9.39
Action type: ANTIBODY BINDING
Assay: Mechanism of Action
Drug: belantamab mafodotin
Target: IgG receptor FcRn large subunit p51 (Membrane receptor)
Gene: FCGRT
UniProt: P55899 (FCGRN_HUMAN)
Organism: Homo sapiens
Activity: Kd = 7.28
Action type: BINDING AGENT
Assay: Fc-receptor binding
Drug: belantamab mafodotin
Target: High affinity immunoglobulin gamma Fc receptor I (Membrane receptor)
Gene: FCGR1A
UniProt: P12314 (FCGR1_HUMAN)
Organism: Homo sapiens
Activity: Kd = 8.15
Action type: BINDING AGENT
Assay: Fc-receptor binding
Drug: belantamab mafodotin
Target: Low affinity immunoglobulin gamma Fc region receptor III-A (Membrane receptor)
Gene: FCGR3A
UniProt: P08637 (FCG3A_HUMAN)
Organism: Homo sapiens
Activity: Kd = 7.55
Action type: BINDING AGENT
Assay: Fc-receptor binding
Drug: belantamab mafodotin
Target: Tumor necrosis factor receptor superfamily member 17 (Tumour-associated antigen)
Gene: TNFRSF17
UniProt: Q02223 (TNR17_HUMAN)
Organism: Homo sapiens
Activity: Kd = 9
Action type: BINDING AGENT
Assay: Mechanism of Action
Drug: oliceridine
Target: Sodium channel protein type 5 subunit alpha (Ion channel)
Gene: SCN5A
UniProt: Q14524 (SCN5A_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.33
Assay: Inhibition of human Nav 1.5 phasic ion channel expressed in HEK293 cells by whole-cell patch clamp technique
Drug: oliceridine
Target: Potassium voltage-gated channel subfamily H member 2 (Ion channel)
Gene: KCNH2
UniProt: Q12809 (KCNH2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.21
Assay: Inhibition of human ERG channel expressed in HEK293 cells by whole-cell patch clamp technique
Drug: oliceridine
Target: Voltage-dependent L-type calcium channel subunit alpha-1C (Ion channel)
Gene: CACNA1C
UniProt: Q13936 (CAC1C_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.44
Assay: Inhibition of human Cav 1.2 ion channel expressed in HEK293 cells by whole-cell patch clamp technique
Drug: oliceridine
Target: Nociceptin receptor (GPCR)
Gene: OPRL1
UniProt: P41146 (OPRX_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 7.4
Action type: AGONIST
Drug: oliceridine
Target: Mu-type opioid receptor (GPCR)
Gene: OPRM1
UniProt: P35372 (OPRM_HUMAN)
Organism: Homo sapiens
Activity: Ki = 8.22
Action type: AGONIST
Assay: Mechanism of Action
Drug: viltolarsen
Target: exon 53 of dystrophin pre-mRNA (RNA)
Gene: DMD
UniProt: P11532 (DMD_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 8.33
Action type: BINDING AGENT
Assay: Activity determined in rhabdomyosarcoma cells isolated from DMD patients
Drug: satralizumab
Target: Interleukin-6 receptor (Membrane receptor)
Gene: IL6R|IL6ST
UniProt: P08887|P40189 (IL6RA_HUMAN|IL6RB_HUMAN)
Organism: Homo sapiens
Activity: Kd = 8.82
Action type: ANTAGONIST
Assay: The KD values for binding to IL-6R were determined by surface plasmon resonance
Drug: clascoterone
Target: Androgen receptor (Nuclear hormone receptor)
Gene: AR
UniProt: P10275 (ANDR_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.3
Action type: ANTAGONIST
Assay: Activity measured in LNCaP cells
Drug: copper dotatate Cu-64
Target: Somatostatin receptor type 2 (GPCR)
Gene: SSTR2
UniProt: P30874 (SSR2_HUMAN)
Organism: Homo sapiens
Activity: Kd = 7.69
Action type: BINDING AGENT
Assay: Activity determined in human embryonic kidney HEK-293 cell line stably expressing human sst2 receptors
Drug: pralsetinib
Target: Vascular endothelial growth factor receptor 2 (Kinase)
Gene: KDR
UniProt: P35968 (VGFR2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.46
Action type: INHIBITOR
Assay: Biochemical assay
Drug: pralsetinib
Target: Platelet-derived growth factor receptor beta (Kinase)
Gene: PDGFRB
UniProt: P09619 (PGFRB_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7
Action type: INHIBITOR
Drug: pralsetinib
Target: Receptor-type tyrosine-protein kinase FLT3 (Kinase)
Gene: FLT3
UniProt: P36888 (FLT3_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.8
Action type: INHIBITOR
Drug: pralsetinib
Target: Tyrosine-protein kinase JAK1 (Kinase)
Gene: JAK1
UniProt: P23458 (JAK1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8.66
Action type: INHIBITOR
Drug: pralsetinib
Target: High affinity nerve growth factor receptor (Kinase)
Gene: NTRK1
UniProt: P04629 (NTRK1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.24
Action type: INHIBITOR
Drug: pralsetinib
Target: Tyrosine-protein kinase JAK2 (Kinase)
Gene: JAK2
UniProt: O60674 (JAK2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.72
Action type: INHIBITOR
Drug: pralsetinib
Target: Fibroblast growth factor receptor 1 (Kinase)
Gene: FGFR1
UniProt: P11362 (FGFR1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.96
Action type: INHIBITOR
Drug: pralsetinib
Target: Epithelial discoidin domain-containing receptor 1 (Kinase)
Gene: DDR1
UniProt: Q08345 (DDR1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8.7
Action type: INHIBITOR
Drug: pralsetinib
Target: NT-3 growth factor receptor (Kinase)
Gene: NTRK3
UniProt: Q16288 (NTRK3_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8.05
Action type: INHIBITOR
Drug: pralsetinib
Target: Proto-oncogene tyrosine-protein kinase receptor Ret (Kinase)
Gene: RET
UniProt: P07949 (RET_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 9.39
Action type: INHIBITOR
Assay: Similar activity values for CCDC6-RET and the following RET mutations: M918T, V804L, V804M
Drug: somapacitan
Target: Growth hormone receptor (GPCR)
Gene: GHR
UniProt: P10912 (GHR_HUMAN)
Organism: Homo sapiens
Activity: Kd = 8.04
Assay: High affinity interaction site
Drug: lonafarnib
Target: GTPase HRas (Cytosolic other)
Gene: HRAS
UniProt: P01112 (RASH_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8.72
Action type: INHIBITOR
Assay: Measuring inhibition of farnesylation of HRAS by human farnesyltransferase
Drug: lonafarnib
Target: GTPase KRas (Enzyme)
Gene: KRAS
UniProt: P01116 (RASK_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8.28
Action type: INHIBITOR
Assay: Measuring inhibition of farnesylation of KRAS4B by human farnesyltransferase
Drug: lonafarnib
Target: GTPase NRas (Enzyme)
Gene: NRAS
UniProt: P01111 (RASN_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8.55
Action type: INHIBITOR
Assay: Measuring inhibition of farnesylation of NRAS by human farnesyltransferase
Drug: lonafarnib
Target: GTPase HRas (Enzyme)
Gene: HRAS
UniProt: P01112 (RASH_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8.72
Action type: INHIBITOR
Assay: Measuring inhibition of farnesylation of HRAS by human farnesyltransferase
Drug: lonafarnib
Target: Protein farnesyltransferase (Enzyme)
Gene: FNTA|FNTB
UniProt: P49354|P49356 (FNTA_HUMAN|FNTB_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8.72
Action type: INHIBITOR
Assay: Biochemical assay
Drug: lumasiran
Target: Hydroxyacid oxidase 1 (HAO1) mRNA (RNA)
Gene: HAO1
UniProt: Q9UJM8 (HAOX1_HUMAN)
Organism: Homo sapiens
Action type: ANTISENSE INHIBITOR
Drug: setmelanotide
Target: Melanocortin receptor 5 (GPCR)
Gene: MC5R
UniProt: P33032 (MC5R_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.37
Action type: AGONIST
Drug: setmelanotide
Target: Melanocortin receptor 3 (GPCR)
Gene: MC3R
UniProt: P41968 (MC3R_HUMAN)
Organism: Homo sapiens
Activity: Ki = 8
Action type: AGONIST
Drug: setmelanotide
Target: Melanocyte-stimulating hormone receptor (GPCR)
Gene: MC1R
UniProt: Q01726 (MSHR_HUMAN)
Organism: Homo sapiens
Activity: Ki = 8.41
Action type: AGONIST
Drug: setmelanotide
Target: Melanocortin receptor 4 (GPCR)
Gene: MC4R
UniProt: P32245 (MC4R_HUMAN)
Organism: Homo sapiens
Activity: Kd = 8.68
Action type: AGONIST
Assay: Mechanism of Action
Drug: bulevirtide
Target: Sodium/bile acid cotransporter (Transporter)
Gene: SLC10A1
UniProt: Q14973 (NTCP_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.49
Action type: INHIBITOR
Assay: Mechanism of Action
Drug: imlifidase
Target: Immunoglobulin gamma (IgG), heavy chain (Antibody)
Gene: IGHG1|IGHG2|IGHG3|IGHG4
UniProt: P01857|P01859|P01860|P01861 (IGHG1_HUMAN|IGHG2_HUMAN|IGHG3_HUMAN|IGHG4_HUMAN)
Organism: Homo sapiens
Action type: INHIBITOR
Assay: Mechanism of Action
Drug: filgotinib
Target: Potassium voltage-gated channel subfamily H member 2 (Ion channel)
Gene: KCNH2
UniProt: Q12809 (KCNH2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.07
Assay: Inhibition of human ERG expressed in HEK293 cells after 5 mins by automated planar patch clamp method
Drug: filgotinib
Target: Receptor-type tyrosine-protein kinase FLT3 (Kinase)
Gene: FLT3
UniProt: P36888 (FLT3_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.47
Assay: Inhibition of human FLT3 (unknown origin)
Drug: filgotinib
Target: Vascular endothelial growth factor receptor 3 (Kinase)
Gene: FLT4
UniProt: P35916 (VGFR3_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.56
Assay: Inhibition of human FLT4 (unknown origin)
Drug: filgotinib
Target: Macrophage colony-stimulating factor 1 receptor (Kinase)
Gene: CSF1R
UniProt: P07333 (CSF1R_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.31
Assay: Inhibition of human CSF1R (unknown origin)
Drug: filgotinib
Target: Tyrosine-protein kinase JAK3 (Kinase)
Gene: JAK3
UniProt: P52333 (JAK3_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.09
Action type: INHIBITOR
Drug: filgotinib
Target: Tyrosine-protein kinase JAK2 (Kinase)
Gene: JAK2
UniProt: O60674 (JAK2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.55
Action type: INHIBITOR
Drug: filgotinib
Target: Non-receptor tyrosine-protein kinase TYK2 (Kinase)
Gene: TYK2
UniProt: P29597 (TYK2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.94
Action type: INHIBITOR
Drug: filgotinib
Target: Tyrosine-protein kinase JAK1 (Kinase)
Gene: JAK1
UniProt: P23458 (JAK1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8
Action type: INHIBITOR
Assay: Mechanism of Action
Drug: vadadustat
Target: Vascular endothelial growth factor A (Secreted)
Gene: VEGFA
UniProt: P15692 (VEGFA_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 5.12
Assay: ELISA Assay: HEK293 cells are seeded in 96-well poly-lysine coated plates at 20,000 cells per well in DMEM (10% FBS, 1% NEAA, 0.1% glutamine). Following overnight incubation, the cells are washed with 100 uL of Opti-MEM (Gibco, Carlsbad, Calif.) to remove serum. Compound in DMSO is serially diluted (beginning with 100 μM) in Opti-MEM and added to the cells. The conditioned media is analyzed for VEGF with a Quantikine human VEGF immunoassay kit (R&D Systems, Minneapolis, Minn.).
Drug: vadadustat
Target: Hypoxia-inducible factor 1-alpha inhibitor (Enzyme)
Gene: HIF1AN
UniProt: Q9NWT6 (HIF1N_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.54
Assay: Inhibition of recombinant human FIH using 2OG as substrate and Fe2 as co-factor assessed as hydroxylation incubated for 15 mins in presence of L-ascorbate by LC-MS analysis
Drug: vadadustat
Target: Vascular endothelial growth factor A (Unclassified)
Gene: VEGFA
UniProt: P15692 (VEGFA_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 5.12
Assay: ELISA Assay: HEK293 cells are seeded in 96-well poly-lysine coated plates at 20,000 cells per well in DMEM (10% FBS, 1% NEAA, 0.1% glutamine). Following overnight incubation, the cells are washed with 100 uL of Opti-MEM (Gibco, Carlsbad, Calif.) to remove serum. Compound in DMSO is serially diluted (beginning with 100 μM) in Opti-MEM and added to the cells. The conditioned media is analyzed for VEGF with a Quantikine human VEGF immunoassay kit (R&D Systems, Minneapolis, Minn.).
Drug: vadadustat
Target: Prolyl 3-hydroxylase OGFOD1 (Unclassified)
Gene: OGFOD1
UniProt: Q8N543 (OGFD1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.85
Assay: Inhibition of recombinant human OGFOD1 using 2OG as substrate and Fe2 as co-factor assessed as hydroxylation incubated for 15 mins in presence of L-ascorbate by MALDI-TOF MS analysis
Drug: vadadustat
Target: Hypoxia-inducible factor 1-alpha inhibitor (Unclassified)
Gene: HIF1AN
UniProt: Q9NWT6 (HIF1N_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.54
Assay: Inhibition of recombinant human FIH using 2OG as substrate and Fe2 as co-factor assessed as hydroxylation incubated for 15 mins in presence of L-ascorbate by LC-MS analysis
Drug: vadadustat
Target: Egl nine homolog 1 (Enzyme)
Gene: EGLN1
UniProt: Q9GZT9 (EGLN1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.81
Action type: INHIBITOR
Assay: Mechanism of Action
Drug: vadadustat
Target: Egl nine homolog 2 (Enzyme)
Gene: EGLN2
UniProt: Q96KS0 (EGLN2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.93
Action type: INHIBITOR
Assay: Mechanism of Action
Drug: vadadustat
Target: Egl nine homolog 3 (Enzyme)
Gene: EGLN3
UniProt: Q9H6Z9 (EGLN3_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8.12
Action type: INHIBITOR
Assay: Mechanism of Action
Drug: daprodustat
Target: Egl nine homolog 1 (Enzyme)
Gene: EGLN1
UniProt: Q9GZT9 (EGLN1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8.46
Action type: INHIBITOR
Assay: FRET assay developed to measure human PHD enzymatic activity using as substrate HIF1alpha CODDD
Drug: daprodustat
Target: Egl nine homolog 2 (Enzyme)
Gene: EGLN2
UniProt: Q96KS0 (EGLN2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8.14
Action type: INHIBITOR
Assay: FRET assay developed to measure human PHD enzymatic activity using as substrate HIF1alpha CODDD
Drug: daprodustat
Target: Egl nine homolog 3 (Enzyme)
Gene: EGLN3
UniProt: Q9H6Z9 (EGLN3_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8.26
Action type: INHIBITOR
Assay: FRET assay developed to measure human PHD enzymatic activity using as substrate HIF2alpha CODDD
Drug: borofalan (10B)
Target: L-type amino acid transporter 1 (Transporter)
Gene: Slc7a5
UniProt: Q63016 (LAT1_RAT)
Organism: Rattus norvegicus
Action type: SUBSTRATE
Drug: tirabrutinib hydrochloride
Target: Tyrosine-protein kinase Lck (Kinase)
Gene: LCK
UniProt: P06239 (LCK_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.43
Assay: Z'-LYTE Kinase Assay: The measurement of Btk enzyme inhibitory activity was performed using the following reagents: Z'-LYTE Kinase Assay Kit-Tyr 1 (containing Tyr 1 peptide, Thy 1 phospho-peptide, 5x kinase buffer, ATP, development reagent B, development buffer, and stop reagent), Tyr 1 peptide (Invitrogen), and Btk (Invitrogen) according to the instructions accompanying the kit.First 5 uL/well of either a solution prepared by diluting the test compound in dimethyl sulfoxide (DMSO) or DMSO alone was added to the wells of a 96-well assay plate together with 10 uL/well of substrate/enzyme mixture and allowed to react for 20 minutes at 30° C. The substrate/enzyme mixture solutions were prepared by dilution in kinase buffer (DL-dithiothreitol (DTT; 2.7 mM) and 1.33x kinase buffer) so that the final concentration of Tyr-1 peptide would be 4 uM, and the final concentration of Btk would be 5 nM. Next 5 uL/well of adenosine triphosphate was added (ATP; final concentration 36 uM).
Drug: tirabrutinib hydrochloride
Target: Receptor tyrosine-protein kinase erbB-2 (Kinase)
Gene: ERBB2
UniProt: P04626 (ERBB2_HUMAN)
Organism: Homo sapiens
Activity: Kd = 6.21
Assay: Binding affinity to DNA-tagged recombinant ERBB2 (unknown origin) measured after 1 hr by biotinylated-ligand affinity bead-based qPCR analysis
Drug: tirabrutinib hydrochloride
Target: Receptor tyrosine-protein kinase erbB-4 (Kinase)
Gene: ERBB4
UniProt: Q15303 (ERBB4_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.11
Action type: INHIBITOR
Drug: tirabrutinib hydrochloride
Target: Cytoplasmic tyrosine-protein kinase BMX (Kinase)
Gene: BMX
UniProt: P51813 (BMX_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8.22
Action type: INHIBITOR
Drug: tirabrutinib hydrochloride
Target: Tyrosine-protein kinase Tec (Kinase)
Gene: TEC
UniProt: P42680 (TEC_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.32
Action type: INHIBITOR
Assay: Inhibition of TEC was determined using LanthaScreen binding assay
Drug: tirabrutinib hydrochloride
Target: Tyrosine-protein kinase TXK (Kinase)
Gene: TXK
UniProt: P42681 (TXK_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.04
Action type: INHIBITOR
Drug: tirabrutinib hydrochloride
Target: Tyrosine-protein kinase Blk (Kinase)
Gene: BLK
UniProt: P51451 (BLK_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.52
Action type: INHIBITOR
Drug: tirabrutinib hydrochloride
Target: Tyrosine-protein kinase BTK (Kinase)
Gene: BTK
UniProt: Q06187 (BTK_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8.17
Action type: INHIBITOR
Assay: Mechanism of Action
Drug: tepotinib
Target: Interleukin-1 receptor-associated kinase 4 (Kinase)
Gene: IRAK4
UniProt: Q9NWZ3 (IRAK4_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.21
Action type: INHIBITOR
Assay: Kinase profiling assay
Drug: tepotinib
Target: Hepatocyte growth factor receptor (Kinase)
Gene: MET
UniProt: P08581 (MET_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8.77
Action type: INHIBITOR
Assay: Inhibition of c-Met phosphorylation and downstream signaling pathways (MoA)
Drug: dotinurad
Target: ATP-binding cassette sub-family G member 2 (Transporter)
Gene: ABCG2
UniProt: Q9UNQ0 (ABCG2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.38
Action type: INHIBITOR
Assay: Activity determined in ABCG2-overexpressing HEK293 cell
Drug: dotinurad
Target: Solute carrier family 22 member 6 (Transporter)
Gene: SLC22A6
UniProt: Q4U2R8 (S22A6_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.39
Action type: INHIBITOR
Assay: Activity determined in ABCG2-overexpressing HEK293 cell
Drug: dotinurad
Target: Solute carrier family 22 member 8 (Transporter)
Gene: SLC22A8
UniProt: Q8TCC7 (S22A8_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.88
Action type: INHIBITOR
Assay: Activity determined in ABCG2-overexpressing HEK293 cell
Drug: dotinurad
Target: Cytochrome P450 2C9 (Enzyme)
Gene: CYP2C9
UniProt: P11712 (CP2C9_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.24
Action type: INHIBITOR
Drug: dotinurad
Target: Solute carrier family 22 member 12 (Transporter)
Gene: SLC22A12
UniProt: Q96S37 (S22AC_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.43
Action type: INHIBITOR
Assay: MoA - URAT1-overexpressing MDCKII cell
Drug: delgocitinib
Target: Rho-associated protein kinase 2 (Kinase)
Gene: ROCK2
UniProt: O75116 (ROCK2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.58
Action type: INHIBITOR
Drug: delgocitinib
Target: Tyrosine-protein kinase JAK3 (Kinase)
Gene: JAK3
UniProt: P52333 (JAK3_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.89
Action type: INHIBITOR
Assay: ATP concentration at the Km specific for JAK3 of 2.5 μM
Drug: delgocitinib
Target: Tyrosine-protein kinase JAK1 (Kinase)
Gene: JAK1
UniProt: P23458 (JAK1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8.55
Action type: INHIBITOR
Assay: ATP concentration at the Km specific for JAK1 of 40 μM
Drug: delgocitinib
Target: Tyrosine-protein kinase JAK2 (Kinase)
Gene: JAK2
UniProt: O60674 (JAK2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8.58
Action type: INHIBITOR
Assay: ATP concentration at the Km specific for JAK2 of 10 μM
Drug: delgocitinib
Target: Non-receptor tyrosine-protein kinase TYK2 (Kinase)
Gene: TYK2
UniProt: P29597 (TYK2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.24
Action type: INHIBITOR
Assay: ATP concentration at the Km specific for Tyk2 of 40 μM
Drug: enarodustat
Target: Egl nine homolog 1 (Enzyme)
Gene: EGLN1
UniProt: Q9GZT9 (EGLN1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.8
Action type: INHIBITOR
Assay: Competitive inhibition, substrate 2-oxoglutarate
Drug: enarodustat
Target: Egl nine homolog 2 (Enzyme)
Gene: EGLN2
UniProt: Q96KS0 (EGLN2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.21
Action type: INHIBITOR
Assay: Competitive inhibition, substrate 2-oxoglutarate
Drug: enarodustat
Target: Egl nine homolog 3 (Enzyme)
Gene: EGLN3
UniProt: Q9H6Z9 (EGLN3_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7
Action type: INHIBITOR
Assay: Competitive inhibition, substrate 2-oxoglutarate
Drug: sofpironium bromide
Target: Muscarinic acetylcholine receptor M3 (GPCR)
Gene: CHRM3
UniProt: P20309 (ACM3_HUMAN)
Organism: Homo sapiens
Action type: INHIBITOR
Assay: Mechanism of Action
Drug: gallium (68Ga) gozetotide
Target: Prostate-specific antigen (Surface antigen)
Gene: KLK3
UniProt: P07288 (KLK3_HUMAN)
Organism: Homo sapiens
Activity: Kd = 7.57
Action type: BINDING AGENT
Assay: Mechanism of Action
Drug: berotralstat
Target: Plasma kallikrein (Enzyme)
Gene: KLKB1
UniProt: P03952 (KLKB1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.8
Action type: INHIBITOR
Assay: Activity determined against plasma kallikrein from patients with HAE