AIM-Harvard/TrialPanorama-filtered huggingface dataset:
Drug: flibanserin
Target: D(4) dopamine receptor (GPCR)
Gene: DRD4
UniProt: P21917 (DRD4_HUMAN)
Organism: Homo sapiens
Activity: Ki = 8.398
Action type: ANTAGONIST
Drug: flibanserin
Target: 5-hydroxytryptamine receptor 2B (GPCR)
Gene: HTR2B
UniProt: P41595 (5HT2B_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.049
Action type: ANTAGONIST
Drug: flibanserin
Target: 5-hydroxytryptamine receptor 2C (GPCR)
Gene: HTR2C
UniProt: P28335 (5HT2C_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.054
Action type: ANTAGONIST
Drug: flibanserin
Target: 5-hydroxytryptamine receptor 5A (GPCR)
Gene: HTR5A
UniProt: P47898 (5HT5A_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.093
Drug: flibanserin
Target: 5-hydroxytryptamine receptor 1A (GPCR)
Gene: HTR1A
UniProt: P08908 (5HT1A_HUMAN)
Organism: Homo sapiens
Activity: Ki = 9
Action type: AGONIST
Drug: flibanserin
Target: 5-hydroxytryptamine receptor 2A (GPCR)
Gene: HTR2A
UniProt: P28223 (5HT2A_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.31
Action type: ANTAGONIST
Drug: sargramostim
Target: Granulocyte macrophage colony-stimulating factor receptor (Membrane receptor)
Gene: CSF2RA|CSF2RB
UniProt: P15509|P32927 (CSF2R_HUMAN|IL3RB_HUMAN)
Organism: Homo sapiens
Activity: Kd = 8.301
Action type: AGONIST
Assay: Mechanism of Action
Drug: oprelvekin
Target: Interleukin-11 receptor (Membrane receptor)
Gene: IL11RA|IL6ST
UniProt: Q14626|P40189 (I11RA_HUMAN|IL6RB_HUMAN)
Organism: Homo sapiens
Action type: AGONIST
Assay: Mechanism of Action
Drug: rolapitant
Target: Substance-P receptor (GPCR)
Gene: TACR1
UniProt: P25103 (NK1R_HUMAN)
Organism: Homo sapiens
Activity: Ki = 9.18
Action type: ANTAGONIST
Assay: CHO cells expressing the human NK1 receptor
Drug: mogamulizumab
Target: C-C chemokine receptor type 4 (GPCR)
Gene: CCR4
UniProt: P51679 (CCR4_HUMAN)
Organism: Homo sapiens
Action type: ANTIBODY BINDING
Assay: Mechanism of Action
Drug: cariprazine
Target: D(1A) dopamine receptor (GPCR)
Gene: DRD1
UniProt: P21728 (DRD1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.68
Assay: Displacement of [3H]SCH23390 from human dopamine D1 receptor expressed in HEK293 cells by competitive binding assay
Drug: cariprazine
Target: Potassium voltage-gated channel subfamily H member 2 (Ion channel)
Gene: KCNH2
UniProt: Q12809 (KCNH2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.68
Assay: Inhibition of recombinant human ERG expressed in CHOK1 cells at -80 mV holding potential after 2 mins by patch clamp assay
Drug: cariprazine
Target: D(1B) dopamine receptor (GPCR)
Gene: DRD5
UniProt: P21918 (DRD5_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.1
Assay: Displacement of [3H]SCH23990 from human D5 receptor expressed in HEK293T cell membranes
Drug: cariprazine
Target: D(4) dopamine receptor (GPCR)
Gene: DRD4
UniProt: P21917 (DRD4_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.96
Assay: Displacement of [3H]Spiperone from human dopamine D4.4 receptor expressed in CHO cells by competitive binding assay
Drug: cariprazine
Target: D(2) dopamine receptor (GPCR)
Gene: Drd2
UniProt: P61169 (DRD2_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 7.8
Drug: cariprazine
Target: D(3) dopamine receptor (GPCR)
Gene: Drd3
UniProt: P19020 (DRD3_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 8.8
Drug: cariprazine
Target: 5-hydroxytryptamine receptor 2B (GPCR)
Gene: HTR2B
UniProt: P41595 (5HT2B_HUMAN)
Organism: Homo sapiens
Activity: Ki = 9.24
Action type: ANTAGONIST
Assay: CHO-K1 cells, [3H]LSD (1.2nM)
Drug: cariprazine
Target: 5-hydroxytryptamine receptor 2C (GPCR)
Gene: HTR2C
UniProt: P28335 (5HT2C_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.87
Action type: ANTAGONIST
Assay: CHO-K1 cells, [3H]Mesulergine (1.0nM)
Drug: cariprazine
Target: 5-hydroxytryptamine receptor 7 (GPCR)
Gene: HTR7
UniProt: P34969 (5HT7R_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.95
Assay: CHO cells, [3H]LSD (1.5nM)
Drug: cariprazine
Target: D(3) dopamine receptor (GPCR)
Gene: DRD3
UniProt: P35462 (DRD3_HUMAN)
Organism: Homo sapiens
Activity: Ki = 10.07
Action type: PARTIAL AGONIST
Assay: CHO cells, [3H]Spiperone (0.7nM)
Drug: cariprazine
Target: Histamine H1 receptor (GPCR)
Gene: HRH1
UniProt: P35367 (HRH1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.63
Action type: ANTAGONIST
Assay: CHO-1 cells, [3H]Pyrilamine (1.5nM)
Drug: cariprazine
Target: Alpha-1D adrenergic receptor (GPCR)
Gene: ADRA1D
UniProt: P25100 (ADA1D_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.68
Assay: HEK-293 cells, [3H]Prazosin (0.6nM)
Drug: cariprazine
Target: D(2) dopamine receptor (GPCR)
Gene: DRD2
UniProt: P14416 (DRD2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 9.31
Action type: PARTIAL AGONIST
Assay: CHO cells, [3H]Spiperone (0.16nM)
Drug: cariprazine
Target: 5-hydroxytryptamine receptor 1A (GPCR)
Gene: HTR1A
UniProt: P08908 (5HT1A_HUMAN)
Organism: Homo sapiens
Activity: Ki = 8.59
Action type: PARTIAL AGONIST
Assay: CHO cells, [3H]8-OH-DPAT (1.5nM)
Drug: cariprazine
Target: 5-hydroxytryptamine receptor 2A (GPCR)
Gene: HTR2A
UniProt: P28223 (5HT2A_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.73
Action type: ANTAGONIST
Assay: CHO-K1 cells, [3H]Ketanserine (0.5nM)
Drug: tannic acid
Target: Carbonic anhydrase 2 (Enzyme)
Gene: CA2
UniProt: P00918 (CAH2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 4.48
Assay: Inhibition of human CA2 using 4-nitrophenylacetate substrate by esterase assay
Drug: tannic acid
Target: Carbonic anhydrase 1 (Enzyme)
Gene: CA1
UniProt: P00915 (CAH1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 4.12
Assay: Inhibition of human CA1 using 4-nitrophenylacetate substrate by esterase assay
Drug: tannic acid
Target: 3-hydroxy-3-methylglutaryl-coenzyme A reductase (Enzyme)
Gene: HMGCR
UniProt: P04035 (HMDH_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.5
Assay: DRUGMATRIX: HMG-CoA Reductase enzyme inhibition (substrate: [14C]HMG-CoA)
Drug: tannic acid
Target: Cytochrome P450 2C9 (Enzyme)
Gene: CYP2C9
UniProt: P11712 (CP2C9_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.34
Assay: DRUGMATRIX: CYP450, 2C9 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)
Drug: tannic acid
Target: Cytochrome P450 1A2 (Enzyme)
Gene: CYP1A2
UniProt: P05177 (CP1A2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.04
Assay: DRUGMATRIX: CYP450, 1A2 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)
Drug: tannic acid
Target: cGMP-specific 3',5'-cyclic phosphodiesterase (Enzyme)
Gene: PDE5A
UniProt: O76074 (PDE5A_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.33
Assay: DRUGMATRIX: Phosphodiesterase PDE5 enzyme inhibition (substrate: [3H]cGMP + cGMP)
Drug: tannic acid
Target: Tyrosine-protein kinase Lck (Kinase)
Gene: LCK
UniProt: P06239 (LCK_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.1
Assay: DRUGMATRIX: Protein Tyrosine Kinase, LCK enzyme inhibition (substrate: Poly(Glu:Tyr))
Drug: tannic acid
Target: Tyrosine-protein kinase Fyn (Kinase)
Gene: FYN
UniProt: P06241 (FYN_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.66
Assay: DRUGMATRIX: Protein Tyrosine Kinase, Fyn enzyme inhibition (substrate: Poly(Glu:Tyr))
Drug: tannic acid
Target: Thromboxane-A synthase (Enzyme)
Gene: TBXAS1
UniProt: P24557 (THAS_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.49
Assay: DRUGMATRIX: Thromboxane Synthetase enzyme inhibition (substrate: PGH2)
Drug: tannic acid
Target: Carbonic anhydrase 6 (Enzyme)
Gene: CA6
UniProt: P23280 (CAH6_HUMAN)
Organism: Homo sapiens
Activity: Ki = 4.75
Assay: Inhibition of human CA6 using 4-nitrophenylacetate substrate by esterase assay
Drug: tannic acid
Target: Mitogen-activated protein kinase 3 (Kinase)
Gene: MAPK3
UniProt: P27361 (MK03_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.39
Assay: DRUGMATRIX: Protein Serine/Threonine Kinase, ERK1 enzyme inhibition (substrate: Myelin Basic Protein)
Drug: tannic acid
Target: Mitogen-activated protein kinase 14 (Kinase)
Gene: MAPK14
UniProt: Q16539 (MK14_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.43
Assay: DRUGMATRIX: Protein Serine/Threonine Kinase, p38alpha enzyme inhibition (substrate: Myelin Basic Protein)
Drug: tannic acid
Target: Aldose reductase (Enzyme)
Gene: Akr1b1
UniProt: P07943 (ALDR_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 6.46
Drug: tannic acid
Target: Arachidonate 15-lipoxygenase (Enzyme)
Gene: ALOX15
UniProt: P12530 (LOX15_RABIT)
Organism: Oryctolagus cuniculus
Activity: IC50 = 6.57
Drug: tannic acid
Target: Mitogen-activated protein kinase 1 (Kinase)
Gene: MAPK1
UniProt: P28482 (MK01_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.73
Assay: DRUGMATRIX: Protein Serine/Threonine Kinase, ERK2 enzyme inhibition (substrate: Myelin Basic Protein)
Drug: tannic acid
Target: Carbonic anhydrase (Enzyme)
Gene: ca
UniProt: Q2PCB5 (Q2PCB5_DICLA)
Organism: Dicentrarchus labrax
Activity: Ki = 5.03
Drug: tannic acid
Target: Leukotriene C4 synthase (Unclassified)
Gene: LTC4S
UniProt: A6XA80 (LTC4S_CAVPO)
Organism: Cavia porcellus
Activity: IC50 = 5.57
Drug: somatrem
Target: Growth hormone receptor (GPCR)
Gene: GHR
UniProt: P10912 (GHR_HUMAN)
Organism: Homo sapiens
Action type: AGONIST
Assay: Mechanism of Action
Drug: reteplase
Target: Plasminogen (Enzyme)
Gene: PLG
UniProt: P00747 (PLMN_HUMAN)
Organism: Homo sapiens
Action type: ACTIVATOR
Assay: Mechanism of Action
Drug: cobimetinib
Target: Serine/threonine-protein kinase B-raf (Kinase)
Gene: BRAF
UniProt: P15056 (BRAF_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8.74
Assay: Inhibition of B-raf V600E mutant in human COLO205 cells assessed as reduction of ERK1/ERK2 phosphorylation
Drug: cobimetinib
Target: Dual specificity mitogen-activated protein kinase kinase 2 (Kinase)
Gene: MAP2K2
UniProt: P36507 (MP2K2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.7
Action type: ALLOSTERIC MODULATOR
Drug: cobimetinib
Target: Dual specificity mitogen-activated protein kinase kinase 1 (Kinase)
Gene: MAP2K1
UniProt: Q02750 (MP2K1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 9.046
Action type: INHIBITOR
Drug: saroglitazar
Target: Peroxisome proliferator-activated receptor alpha (Nuclear hormone receptor)
Gene: PPARA
UniProt: Q07869 (PPARA_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 9.187
Action type: AGONIST
Assay: PPRE-luc transactivation assay in HepG2 cells transfected with hPPAR-alpha and hPPAR-gamma receptors
Drug: saroglitazar
Target: Peroxisome proliferator-activated receptor gamma (Nuclear hormone receptor)
Gene: PPARG
UniProt: P37231 (PPARG_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 8.523
Action type: AGONIST
Assay: PPRE-luc transactivation assay in HepG2 cells transfected with hPPAR-alpha and hPPAR-gamma receptors
Drug: pitolisant
Target: Potassium voltage-gated channel subfamily H member 2 (Ion channel)
Gene: KCNH2
UniProt: Q12809 (KCNH2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.77
Assay: Inhibition of human ERG expressed in CHO cells at holding potential of -90 mV by patch clamp method
Drug: pitolisant
Target: Histamine H1 receptor (GPCR)
Gene: HRH1
UniProt: P35367 (HRH1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.94
Assay: Displacement of [3H]pyrilamine from human H1 receptor expressed in CHO cell membrane after 120 mins by liquid scintillation counting analysis
Drug: pitolisant
Target: Histamine H2 receptor (GPCR)
Gene: HRH2
UniProt: P25021 (HRH2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 4.96
Action type: ANTAGONIST
Drug: pitolisant
Target: Histamine H3 receptor (GPCR)
Gene: Hrh3
UniProt: Q9QYN8 (HRH3_RAT)
Organism: Rattus norvegicus
Activity: Ki = 7.77
Drug: pitolisant
Target: Cholinesterase (Enzyme)
Gene: BCHE
UniProt: P81908 (CHLE_HORSE)
Organism: Equus caballus
Activity: IC50 = 5.08
Assay: Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated with enzyme for 5 mins prior to substrate addition measured after 5 mins by Ellman's method
Drug: pitolisant
Target: Histamine H3 receptor (GPCR)
Gene: Hrh3
UniProt: P58406 (HRH3_MOUSE)
Organism: Mus musculus
Activity: Ki = 7.85
Assay: Displacement of [125I]-iodoproxyfan from mouse brain cortex H3 receptor after 60 mins by gamma counting method
Drug: pitolisant
Target: Histamine H3 receptor (GPCR)
Gene: HRH3
UniProt: Q9JI35 (HRH3_CAVPO)
Organism: Cavia porcellus
Activity: Ki = 9.8
Assay: Inhibition of Guinea Pig Ileum H3R
Drug: pitolisant
Target: Histamine H3 receptor (GPCR)
Gene: HRH3
UniProt: Q9Y5N1 (HRH3_HUMAN)
Organism: Homo sapiens
Activity: Ki = 9.796
Action type: INVERSE AGONIST
Assay: [35S]GTP-gamma-S binding in HEK-293 cells stably expressing the human H3
Drug: aripiprazole lauroxil
Target: 5-hydroxytryptamine receptor 1B (GPCR)
Gene: HTR1B
UniProt: P28222 (5HT1B_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.1
Action type: AGONIST
Drug: aripiprazole lauroxil
Target: 5-hydroxytryptamine receptor 1D (GPCR)
Gene: HTR1D
UniProt: P28221 (5HT1D_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.2
Action type: AGONIST
Drug: aripiprazole lauroxil
Target: D(2) dopamine receptor (GPCR)
Gene: Drd2
UniProt: P61169 (DRD2_RAT)
Organism: Rattus norvegicus
Activity: Ki = 9.7
Action type: AGONIST
Drug: aripiprazole lauroxil
Target: 5-hydroxytryptamine receptor 2A (GPCR)
Gene: Htr2a
UniProt: P14842 (5HT2A_RAT)
Organism: Rattus norvegicus
Activity: Ki = 7.7
Action type: AGONIST
Drug: aripiprazole lauroxil
Target: 5-hydroxytryptamine receptor 7 (GPCR)
Gene: Htr7
UniProt: P32305 (5HT7R_RAT)
Organism: Rattus norvegicus
Activity: Ki = 7.8
Action type: AGONIST
Drug: aripiprazole lauroxil
Target: D(4) dopamine receptor (GPCR)
Gene: Drd4
UniProt: P30729 (DRD4_RAT)
Organism: Rattus norvegicus
Activity: Ki = 7.3
Action type: ANTAGONIST
Drug: aripiprazole lauroxil
Target: 5-hydroxytryptamine receptor 6 (GPCR)
Gene: Htr6
UniProt: P31388 (5HT6R_RAT)
Organism: Rattus norvegicus
Activity: Ki = 6.8
Action type: AGONIST
Drug: aripiprazole lauroxil
Target: 5-hydroxytryptamine receptor 2C (GPCR)
Gene: HTR2C
UniProt: P28335 (5HT2C_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.824
Drug: aripiprazole lauroxil
Target: 5-hydroxytryptamine receptor 7 (GPCR)
Gene: HTR7
UniProt: P34969 (5HT7R_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.409
Drug: aripiprazole lauroxil
Target: D(3) dopamine receptor (GPCR)
Gene: DRD3
UniProt: P35462 (DRD3_HUMAN)
Organism: Homo sapiens
Activity: Ki = 9.097
Drug: aripiprazole lauroxil
Target: Histamine H1 receptor (GPCR)
Gene: HRH1
UniProt: P35367 (HRH1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.215
Drug: aripiprazole lauroxil
Target: D(4) dopamine receptor (GPCR)
Gene: DRD4
UniProt: P21917 (DRD4_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.357
Drug: aripiprazole lauroxil
Target: D(2) dopamine receptor (GPCR)
Gene: DRD2
UniProt: P14416 (DRD2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 9.469
Action type: PARTIAL AGONIST
Assay: Mechanism of Action
Drug: aripiprazole lauroxil
Target: 5-hydroxytryptamine receptor 1A (GPCR)
Gene: HTR1A
UniProt: P08908 (5HT1A_HUMAN)
Organism: Homo sapiens
Activity: Ki = 8.77
Action type: PARTIAL AGONIST
Assay: Mechanism of Action
Drug: aripiprazole lauroxil
Target: 5-hydroxytryptamine receptor 2A (GPCR)
Gene: HTR2A
UniProt: P28223 (5HT2A_HUMAN)
Organism: Homo sapiens
Activity: Ki = 8.469
Action type: ANTAGONIST
Assay: Mechanism of Action
Drug: omarigliptin
Target: Potassium voltage-gated channel subfamily H member 2 (Ion channel)
Gene: KCNH2
UniProt: Q12809 (KCNH2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.41
Assay: Inhibition of human ERG assessed as reduction in IKr current
Drug: omarigliptin
Target: Dipeptidyl peptidase 4 (Enzyme)
Gene: Dpp4
UniProt: P28843 (DPP4_MOUSE)
Organism: Mus musculus
Activity: IC50 = 7.36
Drug: omarigliptin
Target: Dipeptidyl peptidase 4 (Enzyme)
Gene: DPP4
UniProt: P27487 (DPP4_HUMAN)
Organism: Homo sapiens
Activity: Ki = 9.097
Action type: INHIBITOR
Assay: Mechanism of Action
Drug: insulin glulisine
Target: Insulin receptor (Kinase)
Gene: INSR
UniProt: P06213 (INSR_HUMAN)
Organism: Homo sapiens
Action type: AGONIST
Assay: Mechanism of Action
Drug: lusutrombopag
Target: Thrombopoietin receptor (Membrane receptor)
Gene: MPL
UniProt: P40238 (TPOR_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 7.076
Action type: AGONIST
Assay: Mechanism of Action; cell proliferation; recombinant human TPO
Drug: esflurbiprofen
Target: Prostaglandin G/H synthase 2 (Enzyme)
Gene: PTGS2
UniProt: P35354 (PGH2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.04
Drug: esflurbiprofen
Target: Prostaglandin G/H synthase 1 (Enzyme)
Gene: Ptgs1
UniProt: Q63921 (PGH1_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 7.52
Drug: mepolizumab
Target: Interleukin-5 (Cytokine)
Gene: IL5
UniProt: P05113 (IL5_HUMAN)
Organism: Homo sapiens
Activity: Kd = 10
Action type: ANTIBODY BINDING
Assay: Mechanism of Action
Drug: osimertinib
Target: Potassium voltage-gated channel subfamily H member 2 (Ion channel)
Gene: KCNH2
UniProt: Q12809 (KCNH2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.79
Drug: osimertinib
Target: Insulin receptor (Kinase)
Gene: INSR
UniProt: P06213 (INSR_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.04
Drug: osimertinib
Target: ALK tyrosine kinase receptor (Kinase)
Gene: ALK
UniProt: Q9UM73 (ALK_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.75
Assay: Inhibition of GST-tagged human ALK cytoplasmic domain (1058 to 1620 residues) expressed in baculovirus expression system using Poly G:T (4:1) as substrate after 30 mins by Z-LYTE assay
Drug: osimertinib
Target: Receptor tyrosine-protein kinase erbB-3 (Kinase)
Gene: ERBB3
UniProt: P21860 (ERBB3_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8.68
Assay: Inhibition of EGFR L858R mutant (unknown origin) using poly (Glu, Tyr) as substrate after 40 mins by kinase-glo plus luminescence assay
Drug: osimertinib
Target: Dipeptidyl peptidase 1 (Enzyme)
Gene: CTSC
UniProt: P53634 (CATC_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.48
Assay: Inhibition of cathepsin C (unknown origin)
Drug: osimertinib
Target: Epidermal growth factor receptor (Kinase)
Gene: EGFR
UniProt: P00533 (EGFR_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.824
Action type: INHIBITOR
Assay: Inhibition of EGFR phosphorylation in double mutant cell line H1975
Drug: daratumumab
Target: Lymphocyte differentiation antigen CD38 (Tumour-associated antigen)
Gene: CD38
UniProt: P28907 (CD38_HUMAN)
Organism: Homo sapiens
Activity: Kd = 8.22
Action type: ANTIBODY BINDING
Drug: climbazole
Target: Cytochrome P450 3A4 (Enzyme)
Gene: CYP3A4
UniProt: P08684 (CP3A4_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7
Assay: null: A commercially available P450-GLO Assay kit (Promega Corporation, Madison Wis.) is used to screen various compounds for CYP3A4A inhibition activity. CYP3A4A is thought to be one of the primary CYP isoforms responsible for retinoic acid metabolism in the skin. Three benchmark agents, liarozole, climbazole, and ketoconazole, were assessed for CYP3A4 inhibition to confirm that the inhibition activity (the IC50 for CYP3A4 inhibition) measured by the assay corresponds to the activity reported by the published literature. The results show that the substituted azole compounds having the specific structure set forth herein are CYP inhibitors, and thus function as RAMBAs.
Drug: trenbolone hexahydrobenzylcarbonate
Target: Androgen receptor (Transcription factor)
Gene: Ar
UniProt: P15207 (ANDR_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 8.58
Drug: trenbolone hexahydrobenzylcarbonate
Target: Polymerase acidic protein (Enzyme)
Gene: PA
UniProt: P03433 (PA_I34A1)
Organism: Influenza A virus (strain A/Puerto Rico/8/1934 H1N1)
Activity: Kd = 4.04
Assay: Binding affinity to PA cavity of recombinant Influenza A virus A/PR/8/34(H1N1) PA (239 to 716 residues) measured after 2 mins by SPR analysis
Drug: tenecteplase
Target: Plasminogen (Enzyme)
Gene: PLG
UniProt: P00747 (PLMN_HUMAN)
Organism: Homo sapiens
Action type: ACTIVATOR
Assay: Mechanism of Action
Drug: ixazomib
Target: Proteasome subunit beta type-1 (Enzyme)
Gene: PSMB1
UniProt: P20618 (PSB1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.509
Action type: INHIBITOR
Drug: ixazomib
Target: Proteasome subunit beta type-2 (Enzyme)
Gene: PSMB2
UniProt: P49721 (PSB2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.456
Action type: INHIBITOR
Drug: ixazomib
Target: Proteasome subunit beta type-5 (Enzyme)
Gene: PSMB5
UniProt: P28074 (PSB5_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8.469
Action type: INHIBITOR
Drug: brivaracetam
Target: Synaptic vesicle glycoprotein 2A (Unclassified)
Gene: Sv2a
UniProt: Q02563 (SV2A_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 7
Action type: INHIBITOR
Assay: In vitro inhibitory activity against [<sup>3</sup>H](2S)-2-[4-(3-azidophenyl)-2-oxopyrrolidin-1-yl]butanamide binding to levetiracetam binding site, in rat brain homogenate.
Drug: brivaracetam
Target: Synaptic vesicle glycoprotein 2A (Transporter)
Gene: SV2A
UniProt: Q7L0J3 (SV2A_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.1
Action type: MODULATOR
Drug: necitumumab
Target: Epidermal growth factor receptor (Kinase)
Gene: EGFR
UniProt: P00533 (EGFR_HUMAN)
Organism: Homo sapiens
Activity: Kd = 9.49
Action type: ANTIBODY BINDING
Assay: Binding affinity of whole IMC-11F8 IgG using BIAcore sensor technology.
Drug: elotuzumab
Target: SLAM family member 7 (Membrane receptor)
Gene: SLAMF7
UniProt: Q9NQ25 (SLAF7_HUMAN)
Organism: Homo sapiens
Activity: Kd = 8.05
Action type: ANTIBODY BINDING
Drug: lesinurad
Target: Solute carrier family 22 member 11 (Transporter)
Gene: SLC22A11
UniProt: Q9NSA0 (S22AB_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.432
Action type: INHIBITOR
Drug: lesinurad
Target: Solute carrier family 22 member 12 (Transporter)
Gene: SLC22A12
UniProt: Q96S37 (S22AC_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.137
Action type: INHIBITOR
Drug: selexipag
Target: Prostaglandin E2 receptor EP2 subtype (GPCR)
Gene: PTGER2
UniProt: P43116 (PE2R2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.24
Action type: AGONIST
Drug: selexipag
Target: Prostaglandin E2 receptor EP4 subtype (GPCR)
Gene: PTGER4
UniProt: P35408 (PE2R4_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.31
Action type: AGONIST
Drug: selexipag
Target: Prostaglandin D2 receptor (GPCR)
Gene: PTGDR
UniProt: Q13258 (PD2R_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 7
Assay: Agonist activity at recombinant human DP1 receptor expressed in CHO-K1 cells assessed as increase in intracellular cAMP level after 1 hr incubation by HTRF method
Drug: selexipag
Target: Prostacyclin receptor (GPCR)
Gene: Ptgir
UniProt: P43253 (PI2R_RAT)
Organism: Rattus norvegicus
Activity: Ki = 5.68
Action type: AGONIST
Drug: selexipag
Target: Prostacyclin receptor (GPCR)
Gene: PTGIR
UniProt: P43119 (PI2R_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.699
Action type: AGONIST
Drug: lobeglitazone
Target: Peroxisome proliferator-activated receptor alpha (Nuclear hormone receptor)
Gene: PPARA
UniProt: Q07869 (PPARA_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 7.699
Action type: AGONIST
Drug: lobeglitazone
Target: Peroxisome proliferator-activated receptor gamma (Nuclear hormone receptor)
Gene: PPARG
UniProt: P37231 (PPARG_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 7.745
Action type: AGONIST
Drug: elbasvir
Target: Nonstructural protein 5A (Unclassified)
Gene: NS5A
UniProt: Q5L478 (Q5L478_9HEPC)
Organism: Hepatitis C virus
Activity: EC50 = 10.7
Assay: Inhibition of NS5A in HCV genotype 3a assessed as decrease in viral replication
Drug: elbasvir
Target: Genome polyprotein (Polyprotein)
UniProt: P26663 (POLG_HCVBK)
Organism: Hepatitis C virus genotype 1b (isolate BK)
Activity: EC50 = 11.523
Action type: INHIBITOR
Assay: Mechanism of Action
Drug: elbasvir
Target: Genome polyprotein (Polyprotein)
UniProt: P27958 (POLG_HCVH)
Organism: Hepatitis C virus genotype 1a (isolate H)
Activity: EC50 = 11.398
Action type: INHIBITOR
Assay: Mechanism of Action
Drug: elbasvir
Target: Genome polyprotein (Polyprotein)
UniProt: O39929 (POLG_HCVED)
Organism: Hepatitis C virus genotype 4a (isolate ED43)
Activity: EC50 = 12.523
Action type: INHIBITOR
Assay: Mechanism of Action
Drug: grazoprevir
Target: NS3 (Enzyme)
Gene: NS3
UniProt: A3EZI9 (A3EZI9_9HEPC)
Organism: Hepatitis C virus
Activity: Ki = 10.4
Assay: Inhibition of HCV subtype 1b NS3 protease D168E mutant pre-incubated for 30 mins before TRF peptide substrate addition and measured after 1 hr by time resolved fluorescence assay
Drug: grazoprevir
Target: Genome polyprotein (Unclassified)
UniProt: K7XJL6 (K7XJL6_9HEPC)
Organism: Hepacivirus C
Activity: Ki = 9.85
Assay: Inhibition of Hepatitis C virus (isolate BK) genotype 1b NS3/4a protease D168V mutant expressed in Escherichia coli by time-resolved fluorescence analysis