AIM-Harvard/TrialPanorama-filtered huggingface dataset:
Drug: ceritinib
Target: Receptor-type tyrosine-protein kinase FLT3 (Kinase)
Gene: FLT3
UniProt: P36888 (FLT3_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.22
Assay: Inhibition of FLT3 (unknown origin) after 60 mins
Drug: ceritinib
Target: Proto-oncogene tyrosine-protein kinase receptor Ret (Kinase)
Gene: RET
UniProt: P07949 (RET_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.4
Assay: Inhibition of RET (unknown origin) after 60 mins
Drug: ceritinib
Target: Vascular endothelial growth factor receptor 2 (Kinase)
Gene: KDR
UniProt: P35968 (VGFR2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.38
Assay: Inhibition of TEL-fused KDR (unknown origin) by cell-based assay
Drug: ceritinib
Target: Platelet-derived growth factor receptor alpha (Kinase)
Gene: PDGFRA
UniProt: P16234 (PGFRA_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.94
Assay: Inhibition of PDGFRalpha (unknown origin) after 60 mins
Drug: ceritinib
Target: Cyclin-dependent kinase 2 (Kinase)
Gene: CDK2
UniProt: P24941 (CDK2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.4
Assay: Inhibition of CDK2 (unknown origin) after 60 mins
Drug: ceritinib
Target: Fibroblast growth factor receptor 3 (Kinase)
Gene: FGFR3
UniProt: P22607 (FGFR3_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.37
Assay: Inhibition of FGFR3 (unknown origin) after 60 mins
Drug: ceritinib
Target: Tyrosine-protein kinase JAK1 (Kinase)
Gene: JAK1
UniProt: P23458 (JAK1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.43
Assay: Inhibition of JAK1 (unknown origin) after 60 mins
Drug: ceritinib
Target: High affinity nerve growth factor receptor (Kinase)
Gene: NTRK1
UniProt: P04629 (NTRK1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.56
Assay: Inhibition of TEL-fused TRKA (unknown origin) by cell-based assay
Drug: ceritinib
Target: Tyrosine-protein kinase JAK2 (Kinase)
Gene: JAK2
UniProt: O60674 (JAK2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.21
Assay: Inhibition of JAK2 (unknown origin) after 60 mins
Drug: ceritinib
Target: Rho-associated protein kinase 2 (Kinase)
Gene: ROCK2
UniProt: O75116 (ROCK2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.9
Assay: Inhibition of ROCK2 (unknown origin) after 60 mins
Drug: ceritinib
Target: Tyrosine-protein kinase SYK (Kinase)
Gene: SYK
UniProt: P43405 (KSYK_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.52
Assay: Inhibition of SYK (unknown origin) after 60 mins
Drug: ceritinib
Target: Hepatocyte growth factor receptor (Kinase)
Gene: MET
UniProt: P08581 (MET_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.87
Assay: Inhibition of TEL-fused MET (unknown origin) by cell-based assay
Drug: ceritinib
Target: Tyrosine-protein kinase Lyn (Kinase)
Gene: LYN
UniProt: P07948 (LYN_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.08
Assay: Inhibition of LYN (unknown origin) after 60 mins
Drug: ceritinib
Target: Fibroblast growth factor receptor 2 (Kinase)
Gene: FGFR2
UniProt: P21802 (FGFR2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.59
Assay: Inhibition of FGFR2 (unknown origin) after 60 mins
Drug: ceritinib
Target: Tyrosine-protein kinase Fgr (Kinase)
Gene: FGR
UniProt: P09769 (FGR_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.71
Assay: Inhibition of TEL-fused FGR (unknown origin) by cell-based assay
Drug: ceritinib
Target: MAP kinase-interacting serine/threonine-protein kinase 2 (Kinase)
Gene: MKNK2
UniProt: Q9HBH9 (MKNK2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.65
Assay: Inhibition of MKNK2 (unknown origin) after 60 mins
Drug: ceritinib
Target: Tyrosine-protein kinase ZAP-70 (Kinase)
Gene: ZAP70
UniProt: P43403 (ZAP70_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.01
Assay: Inhibition of ZAP70 (unknown origin) after 60 mins
Drug: ceritinib
Target: Tyrosine-protein kinase BTK (Kinase)
Gene: BTK
UniProt: Q06187 (BTK_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.47
Assay: Inhibition of BTK (unknown origin) after 60 mins
Drug: ceritinib
Target: BDNF/NT-3 growth factors receptor (Kinase)
Gene: NTRK2
UniProt: Q16620 (NTRK2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.74
Assay: Inhibition of TEL-fused TRKB (unknown origin) by cell-based assay
Drug: ceritinib
Target: Fibroblast growth factor receptor 4 (Kinase)
Gene: FGFR4
UniProt: P22455 (FGFR4_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.02
Assay: Inhibition of FGFR4 (unknown origin) after 60 mins
Drug: ceritinib
Target: Proto-oncogene tyrosine-protein kinase ROS (Kinase)
Gene: ROS1
UniProt: P08922 (ROS1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.85
Assay: Inhibition of TEL-fused ROS (unknown origin) by cell-based assay
Drug: ceritinib
Target: Cyclin-dependent kinase 4 (Kinase)
Gene: CDK4
UniProt: P11802 (CDK4_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.33
Assay: Inhibition of CDK4 (unknown origin) after 60 mins
Drug: ceritinib
Target: Transcription factor ETV6 (Transcription factor)
Gene: ETV6
UniProt: P41212 (ETV6_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.49
Assay: Inhibition of wild-type TEL (unknown origin) by cell-based assay
Drug: ceritinib
Target: Insulin-like growth factor 1 receptor (Kinase)
Gene: IGF1R
UniProt: P08069 (IGF1R_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8.097
Assay: in vitro enzymatic activity
Drug: ceritinib
Target: Insulin receptor (Kinase)
Gene: INSR
UniProt: P06213 (INSR_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8.155
Action type: AGONIST
Assay: in vitro enzymatic activity
Drug: ceritinib
Target: Testis-specific serine/threonine-protein kinase 1 (Kinase)
Gene: TSSK1B
UniProt: Q9BXA7 (TSSK1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.638
Assay: in vitro enzymatic activity
Drug: ceritinib
Target: ALK tyrosine kinase receptor (Kinase)
Gene: ALK
UniProt: Q9UM73 (ALK_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 9.699
Action type: INHIBITOR
Assay: in vitro enzymatic activity
Drug: dexrabeprazole
Target: Alpha-2B adrenergic receptor (GPCR)
Gene: ADRA2B
UniProt: P18089 (ADA2B_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.1
Assay: DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)
Drug: dexrabeprazole
Target: D(3) dopamine receptor (GPCR)
Gene: DRD3
UniProt: P35462 (DRD3_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.1
Assay: DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)
Drug: dexrabeprazole
Target: Adenosine receptor A3 (GPCR)
Gene: ADORA3
UniProt: P0DMS8 (AA3R_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.74
Assay: DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA)
Drug: dexrabeprazole
Target: Fatty acid synthase (Enzyme)
Gene: FASN
UniProt: P49327 (FAS_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.23
Assay: Inhibition of purified recombinant FASN TE activity (unknown origin) using 4-MUH as substrate preincubated for 30 mins before substrate addition measured after 1 hr by fluorescence assay
Drug: dexrabeprazole
Target: Insulin-degrading enzyme (Enzyme)
Gene: IDE
UniProt: P14735 (IDE_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.96
Assay: Inhibition of human recombinant IDE expressed in Escherichia coli BL21 (DE3) cells using ATTO 655- Cys-Lys-Leu-Val-Phe-Phe-Ala-Glu-Asp-Trp as substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins by spectrophotometric analysis
Drug: dexrabeprazole
Target: N(G),N(G)-dimethylarginine dimethylaminohydrolase 1 (Enzyme)
Gene: DDAH1
UniProt: O94760 (DDAH1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.28
Assay: Inhibition of human recombinant DDAH1 reduction in L-citrulline formation using ADMA as substrate
Drug: dexrabeprazole
Target: Cytosolic endo-beta-N-acetylglucosaminidase (Enzyme)
Gene: ENGASE
UniProt: Q8NFI3 (ENASE_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.35
Assay: Inhibition of recombinant human C-MYC/DDK-tagged ENGase expressed in HEK293T cells using heat inactivated bovine ribonuclease B as substrate pretreated for 15 mins followed by substrate addition after 90 mins by SDS-PAGE analysis
Drug: dexrabeprazole
Target: Sterile alpha and TIR motif-containing protein 1 (Unclassified)
Gene: SARM1
UniProt: Q6SZW1 (SARM1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.5
Assay: Inhibition of StrepTag-tagged human SARM1 TIR (561 to 724 residues) expressed in NRK1-HEK293T cells assessed as reduction in NADase activity by measuring maximal ADPR conversion pre-incubated up to 120 mins before NAD+ addition and further incubated for 60 mins by HPLC analysis
Drug: dexrabeprazole
Target: Potassium-transporting ATPase (Transporter)
Gene: ATP4A|ATP4B
UniProt: P20648|P51164 (ATP4A_HUMAN|ATP4B_HUMAN)
Organism: Homo sapiens
Action type: INHIBITOR
Assay: Mechanism of Action
Drug: vorapaxar
Target: Proteinase-activated receptor 1 (GPCR)
Gene: F2R
UniProt: P25116 (PAR1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 8.092
Action type: ANTAGONIST
Assay: antagonist
Drug: tedizolid phosphate
Target: Amine oxidase [flavin-containing] B (Enzyme)
Gene: MAOB
UniProt: P27338 (AOFB_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.24
Assay: Reversible inhibition of human MAO-B
Drug: tedizolid phosphate
Target: Amine oxidase [flavin-containing] A (Enzyme)
Gene: MAOA
UniProt: P21397 (AOFA_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.06
Assay: Reversible inhibition of human MAO-A
Drug: efinaconazole
Target: Lanosterol 14-alpha demethylase (Enzyme)
UniProt: F2SHH3 (F2SHH3_TRIRC)
Organism: Trichophyton rubrum (strain ATCC MYA-4607 / CBS 118892)
Action type: INHIBITOR
Assay: Mechanism of Action; CHEMBL3307221; SINGLE PROTEIN
Drug: daclatasvir
Target: Potassium voltage-gated channel subfamily H member 2 (Ion channel)
Gene: KCNH2
UniProt: Q12809 (KCNH2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.53
Assay: Inhibition of human ERG by whole cell patch clamp assay
Drug: daclatasvir
Target: Nonstructural protein 5A (Unclassified)
Gene: NS5A
UniProt: Q5L478 (Q5L478_9HEPC)
Organism: Hepatitis C virus
Activity: IC50 = 10.64
Assay: Inhibition of NS5A in HCV genotype 1b infected in human HuH7.5/Con1/SG-Neo(I)-hRluc2aUb cells assessed as inhibition of replicon levels incubated for 72 hrs by luciferase reporter gene assay
Drug: daclatasvir
Target: Genome polyprotein (Polyprotein)
UniProt: P26663 (POLG_HCVBK)
Organism: Hepatitis C virus genotype 1b (isolate BK)
Activity: EC50 = 11.046
Action type: INHIBITOR
Drug: daclatasvir
Target: Genome polyprotein (Polyprotein)
UniProt: P27958 (POLG_HCVH)
Organism: Hepatitis C virus genotype 1a (isolate H)
Activity: EC50 = 10.301
Action type: INHIBITOR
Drug: belinostat
Target: Histone deacetylase 5 (Enzyme)
Gene: HDAC5
UniProt: Q9UQL6 (HDAC5_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.6
Action type: INHIBITOR
Assay: Competitive inhibition of HDAC5 using KI-104 as substrate by fluorescence assay
Drug: belinostat
Target: Histone deacetylase 2 (Enzyme)
Gene: HDAC2
UniProt: Q92769 (HDAC2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 9.07
Action type: INHIBITOR
Assay: Inhibition of human HDAC2
Drug: belinostat
Target: Histone deacetylase 1 (Enzyme)
Gene: HDAC1
UniProt: Q13547 (HDAC1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 9.07
Action type: INHIBITOR
Assay: Inhibition of human HDAC1
Drug: belinostat
Target: Histone deacetylase 3 (Enzyme)
Gene: HDAC3
UniProt: O15379 (HDAC3_HUMAN)
Organism: Homo sapiens
Activity: Ki = 8.82
Action type: INHIBITOR
Assay: Inhibition of human HDAC3
Drug: belinostat
Target: Histone deacetylase 6 (Enzyme)
Gene: HDAC6
UniProt: Q9UBN7 (HDAC6_HUMAN)
Organism: Homo sapiens
Activity: Ki = 8.8
Action type: INHIBITOR
Assay: Inhibition of human HDAC6
Drug: belinostat
Target: Histone deacetylase 7 (Enzyme)
Gene: HDAC7
UniProt: Q8WUI4 (HDAC7_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.29
Action type: INHIBITOR
Assay: Competitive inhibition of HDAC7 using KI-104 as substrate by fluorescence assay
Drug: belinostat
Target: Histone deacetylase 8 (Enzyme)
Gene: HDAC8
UniProt: Q9BY41 (HDAC8_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.66
Action type: INHIBITOR
Assay: Competitive inhibition of HDAC8 using KI-104 as substrate by fluorescence assay
Drug: belinostat
Target: Histone deacetylase 9 (Enzyme)
Gene: HDAC9
UniProt: Q9UKV0 (HDAC9_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.62
Action type: INHIBITOR
Assay: Competitive inhibition of HDAC9 using KI-104 as substrate by fluorescence assay
Drug: belinostat
Target: Histone deacetylase 10 (Enzyme)
Gene: HDAC10
UniProt: Q969S8 (HDA10_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.23
Action type: INHIBITOR
Assay: Competitive inhibition of HDAC10 using KI-104 as substrate by fluorescence assay
Drug: belinostat
Target: Histone deacetylase (Enzyme)
Gene: HDAC1
UniProt: Q9XYC7 (Q9XYC7_PLAFA)
Organism: Plasmodium falciparum
Activity: IC50 = 6.67
Assay: Inhibition of HDAC1 in Plasmodium falciparum 3D7 nuclear extract using Ac-RGK(Ac)-AMC fluorogenic peptide as substrate preincubated for 1 hr followed by substrate addition measured after 10 min by fluorescence assay
Drug: belinostat
Target: Histone deacetylase 11 (Enzyme)
Gene: HDAC11
UniProt: Q96DB2 (HDA11_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.57
Action type: INHIBITOR
Assay: Competitive inhibition of HDAC11 using KI-104 as substrate by fluorescence assay
Drug: belinostat
Target: Bromodomain-containing protein 4 (Unclassified)
Gene: BRD4
UniProt: O60885 (BRD4_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.57
Assay: Inhibition of BRD4 (unknown origin)
Drug: belinostat
Target: Histone deacetylase 4 (Enzyme)
Gene: HDAC4
UniProt: P56524 (HDAC4_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.569
Action type: INHIBITOR
Assay: histone deacetylase activity in vitro in HeLa cell extracts
Drug: tavaborole
Target: Carbonic anhydrase 2 (Enzyme)
Gene: CA2
UniProt: P00918 (CAH2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.33
Assay: Inhibition of human carbonic anhydrase-2 incubated for 15 mins prior to testing by stopped flow CO2 hydrase assay
Drug: tavaborole
Target: Carbonic anhydrase 1 (Enzyme)
Gene: CA1
UniProt: P00915 (CAH1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.7
Assay: Inhibition of human carbonic anhydrase-1 incubated for 15 mins prior to testing by stopped flow CO2 hydrase assay
Drug: tavaborole
Target: Carbonic anhydrase (Enzyme)
UniProt: Q6FTL6 (Q6FTL6_CANGA)
Organism: Candida glabrata (strain ATCC 2001 / CBS 138 / JCM 3761 / NBRC 0622 / NRRL Y-65)
Activity: Ki = 7.14
Assay: Inhibition of Candida glabrata Nce103 incubated for 15 mins prior to testing by stopped flow CO2 hydrase assay
Drug: tavaborole
Target: Carbonic anhydrase 2 (Enzyme)
Gene: CAN2
UniProt: Q3I4V7 (Q3I4V7_CRYNV)
Organism: Cryptococcus neoformans var. grubii
Activity: Ki = 7.05
Assay: Inhibition of Cryptococcus neoformans Can2 incubated for 15 mins prior to testing by stopped flow CO2 hydrase assay
Drug: tavaborole
Target: Leucine--tRNA ligase, cytoplasmic (Enzyme)
Gene: CDC60
UniProt: P26637 (SYLC_YEAST)
Organism: Saccharomyces cerevisiae (strain ATCC 204508 / S288c)
Activity: Ki = 5.73
Assay: Inhibition of Saccharomyces cerevisiae cytoplasmic leucyl-tRNA synthetase after 20 mins
Drug: tavaborole
Target: Leucine-tRNA ligase (Enzyme)
UniProt: F2SF18 (F2SF18_TRIRC)
Organism: Trichophyton rubrum (strain ATCC MYA-4607 / CBS 118892)
Action type: INHIBITOR
Assay: Mechanism of Action; CHEMBL3307222; SINGLE PROTEIN
Drug: idelalisib
Target: DNA-dependent protein kinase catalytic subunit (Kinase)
Gene: PRKDC
UniProt: P78527 (PRKDC_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.17
Drug: idelalisib
Target: Phosphatidylinositol 3-kinase catalytic subunit type 3 (Kinase)
Gene: PIK3C3
UniProt: Q8NEB9 (PK3C3_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.36
Assay: Inhibition of GST-tagged full length recombinant human VPS34 expressed in Baculovirus expression system using PI:PS as substrate preincubated for 1 hr followed by substrate addition and measured after 1 hr in presence of 50 uM ATP by ADP-Glo luminescence assay
Drug: idelalisib
Target: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Kinase)
Gene: PIK3CA
UniProt: P42336 (PK3CA_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.086
Assay: in vitro Invitrogen SelectScreen kinase inhibitor assay
Drug: idelalisib
Target: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Kinase)
Gene: PIK3CB
UniProt: P42338 (PK3CB_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.248
Assay: in vitro Invitrogen SelectScreen kinase inhibitor assay
Drug: idelalisib
Target: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Kinase)
Gene: PIK3CG
UniProt: P48736 (PK3CG_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.051
Assay: in vitro Invitrogen SelectScreen kinase inhibitor assay
Drug: idelalisib
Target: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Kinase)
Gene: PIK3CD
UniProt: O00329 (PK3CD_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8.602
Action type: INHIBITOR
Assay: in vitro Invitrogen SelectScreen kinase inhibitor assay
Drug: enoxaparin sodium
Target: Antithrombin-III (Secreted)
Gene: SERPINC1
UniProt: P01008 (ANT3_HUMAN)
Organism: Homo sapiens
Action type: ACTIVATOR
Drug: suvorexant
Target: Orexin receptor type 2 (GPCR)
Gene: Hcrtr2
UniProt: P58308 (OX2R_MOUSE)
Organism: Mus musculus
Activity: Ki = 8.06
Assay: Antagonist activity at mouse OX2 receptor expressed in HEK cells assessed as inhibition of orexin A-induced Ca2+ accumulation after 1 hr by Fluo-4-AM staining-based FLIPR assay
Drug: suvorexant
Target: Orexin receptor type 1 (GPCR)
Gene: Hcrtr1
UniProt: P58307 (OX1R_MOUSE)
Organism: Mus musculus
Activity: Ki = 8.77
Assay: Antagonist activity at mouse OX1 receptor expressed in CHO cells assessed as inhibition of orexin A-induced Ca2+ accumulation after 1 hr by Fluo-4-AM staining-based FLIPR assay
Drug: suvorexant
Target: Orexin receptor type 1 (GPCR)
Gene: HCRTR1
UniProt: O43613 (OX1R_HUMAN)
Organism: Homo sapiens
Activity: Ki = 9.26
Action type: ANTAGONIST
Assay: radioligand-displacement binding assay
Drug: suvorexant
Target: Orexin receptor type 2 (GPCR)
Gene: HCRTR2
UniProt: O43614 (OX2R_HUMAN)
Organism: Homo sapiens
Activity: Ki = 9.456
Action type: ANTAGONIST
Assay: radioligand-displacement binding assay
Drug: istradefylline
Target: Adenosine receptor A1 (GPCR)
Gene: ADORA1
UniProt: P30542 (AA1R_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.08
Assay: Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells after 90 mins by liquid scintillation counting analysis
Drug: istradefylline
Target: Adenosine receptor A2b (GPCR)
Gene: ADORA2B
UniProt: P29275 (AA2BR_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.75
Assay: Inhibition of human recombinant adenosine receptor A2b
Drug: istradefylline
Target: Adenosine receptor A3 (GPCR)
Gene: ADORA3
UniProt: P0DMS8 (AA3R_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.35
Assay: Displacement of [3H]PSB-11 from human recombinant adenosine A3 receptor expressed in CHO cells
Drug: istradefylline
Target: Amine oxidase [flavin-containing] B (Enzyme)
Gene: MAOB
UniProt: P27338 (AOFB_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.57
Assay: Inhibition of human MAOB
Drug: istradefylline
Target: Adenosine receptor A1 (GPCR)
Gene: Adora1
UniProt: P25099 (AA1R_RAT)
Organism: Rattus norvegicus
Activity: Ki = 6.82
Assay: Displacement of [3H]CHA from Adenosine A1 receptor of rat forebrain membranes (shielded from light)
Drug: istradefylline
Target: Adenosine receptor A2a (GPCR)
Gene: Adora2a
UniProt: P30543 (AA2AR_RAT)
Organism: Rattus norvegicus
Activity: Ki = 8.7
Assay: Displacement of [3H]ZM241385 from rat recombinant adenosine A2A receptor expressed in CHO cells
Drug: istradefylline
Target: Adenosine receptor A2a (GPCR)
Gene: ADORA2A
UniProt: P29274 (AA2AR_HUMAN)
Organism: Homo sapiens
Activity: Ki = 8.66
Action type: ANTAGONIST
Assay: Binding affinity towards human Adenosine A2a receptor expressed in HEK293 cells using 6 nM [3H]CGS-21680
Drug: dulaglutide
Target: Glucagon-like peptide 1 receptor (GPCR)
Gene: GLP1R
UniProt: P43220 (GLP1R_HUMAN)
Organism: Homo sapiens
Action type: AGONIST
Assay: Mechanism of Action
Drug: cetilistat
Target: Pancreatic triacylglycerol lipase (Enzyme)
Gene: PNLIP
UniProt: P16233 (LIPP_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8.225
Action type: INHIBITOR
Drug: topiroxostat
Target: Xanthine dehydrogenase/oxidase (Enzyme)
Gene: XDH
UniProt: P80457 (XDH_BOVIN)
Organism: Bos taurus
Activity: IC50 = 8.32
Assay: Inhibition of bovine xanthine oxidase assessed as reduction in uric acid formation using xanthine as substrate preincubated for 15 mins followed by substrate addition by spectrophotometric analysis
Drug: topiroxostat
Target: Xanthine dehydrogenase/oxidase (Enzyme)
Gene: XDH
UniProt: P47989 (XDH_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8.276
Action type: INHIBITOR
Drug: asunaprevir
Target: NS3 (Enzyme)
Gene: NS3
UniProt: A3EZI9 (A3EZI9_9HEPC)
Organism: Hepatitis C virus
Activity: EC50 = 8.92
Assay: Inhibition of HCV genotype 1b Con1 NS3 protease infected in human HuH7 replicon cells assessed as reduction in viral replication after 4 days by luciferase reporter gene assay
Drug: asunaprevir
Target: Genome polyprotein (Polyprotein)
UniProt: P27958 (POLG_HCVH)
Organism: Hepatitis C virus genotype 1a (isolate H)
Activity: Ki = 9.398
Action type: INHIBITOR
Drug: ipragliflozin
Target: Sodium/glucose cotransporter 2 (Transporter)
Gene: Slc5a2
UniProt: P53792 (SC5A2_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 8.2
Action type: INHIBITOR
Assay: Measuring inhibition of sodium-dependent [<sup>14</sup>C]AMG-uptake in CHO cells expressing rSGLT2.
Drug: ipragliflozin
Target: Sodium/glucose cotransporter 1 (Transporter)
Gene: Slc5a1
UniProt: Q8C3K6 (SC5A1_MOUSE)
Organism: Mus musculus
Activity: IC50 = 5.86
Action type: INHIBITOR
Assay: Measuring inhibition of sodium-dependent [<sup>14</sup>C]AMG-uptake in CHO cells expressing mSGLT1.
Drug: ipragliflozin
Target: Sodium/glucose cotransporter 1 (Transporter)
Gene: Slc5a1
UniProt: P53790 (SC5A1_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 5.93
Action type: INHIBITOR
Assay: Measuring inhibition of sodium-dependent [<sup>14</sup>C]AMG-uptake in CHO cells expressing rSGLT1.
Drug: ipragliflozin
Target: Sodium/glucose cotransporter 2 (Transporter)
Gene: Slc5a2
UniProt: Q923I7 (SC5A2_MOUSE)
Organism: Mus musculus
Activity: IC50 = 8.25
Action type: INHIBITOR
Assay: Measuring inhibition of sodium-dependent [<sup>14</sup>C]AMG-uptake in CHO cells expressing mSGLT2.
Drug: ipragliflozin
Target: Sodium/glucose cotransporter 1 (Transporter)
Gene: SLC5A1
UniProt: P13866 (SC5A1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.727
Drug: ipragliflozin
Target: Sodium/glucose cotransporter 2 (Transporter)
Gene: SLC5A2
UniProt: P31639 (SC5A2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8.132
Action type: INHIBITOR
Drug: luseogliflozin
Target: Sodium/glucose cotransporter 1 (Transporter)
Gene: SLC5A1
UniProt: P13866 (SC5A1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.399
Drug: luseogliflozin
Target: Sodium/glucose cotransporter 2 (Transporter)
Gene: SLC5A2
UniProt: P31639 (SC5A2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8.646
Action type: INHIBITOR
Drug: tofogliflozin
Target: Sodium/glucose cotransporter 1 (Transporter)
Gene: SLC5A1
UniProt: P13866 (SC5A1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.073
Drug: tofogliflozin
Target: Sodium/glucose cotransporter 2 (Transporter)
Gene: SLC5A2
UniProt: P31639 (SC5A2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8.538
Action type: INHIBITOR
Drug: tipiracil
Target: Thymidine phosphorylase (Enzyme)
Gene: deoA
UniProt: P07650 (TYPH_ECOLI)
Organism: Escherichia coli (strain K12)
Activity: IC50 = 7.7
Assay: Inhibition of Thymidine phosphorylase from Escherichia coli
Drug: tipiracil
Target: Thymidine phosphorylase (Enzyme)
Gene: TYMP
UniProt: P19971 (TYPH_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.699
Action type: INHIBITOR
Assay: spectrophotometric assay; 5-nitro-2'-deoxyuridine substrate
Drug: iguratimod
Target: Macrophage migration inhibitory factor (Unclassified)
Gene: MIF
UniProt: P14174 (MIF_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.17
Assay: Inhibition of recombinant human MIF tautomerase activity using L-dopachrome methyl ester as substrate measured for 20 secs
Drug: teneligliptin
Target: Dipeptidyl peptidase 4 (Enzyme)
Gene: Dpp4
UniProt: P14740 (DPP4_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 9.54
Assay: Inhibition of DPP4 in rat plasma using GLY-Pro-MCA as substrate after 60 mins by fluorescence assay