AIM-Harvard/TrialPanorama-filtered huggingface dataset:
Drug: bedaquiline
Target: ATP synthase subunit c (Enzyme)
Gene: atpE
UniProt: P00845 (ATPL_BACP3)
Organism: Bacillus sp.
Activity: Kd = 6.3
Assay: Binding affinity to Bacillus PS3 ATP synthase subunit c
Drug: crofelemer
Target: Cystic fibrosis transmembrane conductance regulator (Ion channel)
Gene: CFTR
UniProt: P13569 (CFTR_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.155
Action type: INHIBITOR
Drug: crofelemer
Target: Anoctamin-1 (Ion channel)
Gene: ANO1
UniProt: Q5XXA6 (ANO1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.187
Action type: INHIBITOR
Drug: pomalidomide
Target: Cereblon isoform 4 (Unclassified)
UniProt: A4TVL0 (A4TVL0_9PROT)
Organism: Magnetospirillum gryphiswaldense
Activity: Ki = 6.1
Assay: Inhibition of MANT-uracil binding to wild-type Magnetospirillum gryphiswaldense CRBN isoform 4 by FRET assay
Drug: pomalidomide
Target: Protein cereblon (Cytosolic other)
Gene: CRBN
UniProt: Q96SW2 (CRBN_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 6.577
Action type: MODULATOR
Assay: competitive titration of thalidomide with human DDB1-human CRBN (50 nM) and Cy5-thalidomide (20 nM)
Drug: ospemifene
Target: Estrogen receptor (Nuclear hormone receptor)
Gene: ESR1
UniProt: P03372 (ESR1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.082
Action type: MODULATOR
Drug: levobetaxolol
Target: Beta-1 adrenergic receptor (GPCR)
Gene: ADRB1
UniProt: P08588 (ADRB1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 9.1
Action type: ANTAGONIST
Drug: levobetaxolol
Target: Beta-2 adrenergic receptor (GPCR)
Gene: ADRB2
UniProt: P07550 (ADRB2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.49
Action type: ANTAGONIST
Drug: dimethyl fumarate
Target: Hydroxycarboxylic acid receptor 2 (GPCR)
Gene: HCAR2
UniProt: Q8TDS4 (HCAR2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.74
Assay: Displacement of [3H]nicotinic acid from human GPR109a receptor expressed in human HEK293T cells by liquid scintillation counting
Drug: dimethyl fumarate
Target: Kelch-like ECH-associated protein 1 (Cytosolic other)
Gene: KEAP1
UniProt: Q14145 (KEAP1_HUMAN)
Organism: Homo sapiens
Action type: INHIBITOR
Assay: Mechanism of Action; CHEMBL2069156; SINGLE PROTEIN
Drug: canagliflozin
Target: Sodium/glucose cotransporter 2 (Transporter)
Gene: SLC5A2
UniProt: P31639 (SC5A2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8.658
Action type: INHIBITOR
Drug: canagliflozin
Target: Sodium/glucose cotransporter 1 (Transporter)
Gene: SLC5A1
UniProt: P13866 (SC5A1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.72
Assay: Inhibition of human SGLT1 expressed in CHO-K1 cells by [14C]AMG uptake assay
Drug: canagliflozin
Target: Protease (Enzyme)
Gene: protease
UniProt: Q9YQ12 (Q9YQ12_9HIV1)
Organism: Human immunodeficiency virus 1
Activity: Ki = 6.2
Assay: Inhibition of HIV1 recombinant protease using Lys-Ala-Arg-Val-Nle-Nph-Glu-Ala-Nle-NH2 as substrate by spectrophotometric analysis
Drug: ethyl hydroxybenzoate
Target: Carbonic anhydrase 2 (Enzyme)
Gene: CA2
UniProt: P00918 (CAH2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.32
Assay: Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assay
Drug: ethyl hydroxybenzoate
Target: Estrogen receptor (Nuclear hormone receptor)
Gene: ESR1
UniProt: P03372 (ESR1_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 4.42
Assay: Agonist activity at human estrogen receptor-alpha by yeast two-hybrid assay in presence of SRC1
Drug: ethyl hydroxybenzoate
Target: Carbonic anhydrase 1 (Enzyme)
Gene: CA1
UniProt: P00915 (CAH1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.1
Assay: Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration stopped-flow assay
Drug: ethyl hydroxybenzoate
Target: Estrogen receptor beta (Nuclear hormone receptor)
Gene: ESR2
UniProt: Q92731 (ESR2_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 5.73
Assay: Agonist activity at human estrogen receptor-beta by yeast two-hybrid assay in presence of SRC1
Drug: ethyl hydroxybenzoate
Target: Carbonic anhydrase 9 (Enzyme)
Gene: CA9
UniProt: Q16790 (CAH9_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.09
Assay: Inhibition of human carbonic anhydrase 9 preincubated for 15 mins by CO2 hydration stopped-flow assay
Drug: ethyl hydroxybenzoate
Target: Carbonic anhydrase 12 (Enzyme)
Gene: CA12
UniProt: O43570 (CAH12_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.07
Assay: Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration stopped-flow assay
Drug: ethyl hydroxybenzoate
Target: Carbonic anhydrase 7 (Enzyme)
Gene: CA7
UniProt: P43166 (CAH7_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.06
Assay: Inhibition of human carbonic anhydrase 7 preincubated for 15 mins by CO2 hydration stopped-flow assay
Drug: ethyl hydroxybenzoate
Target: Carbonic anhydrase 14 (Enzyme)
Gene: CA14
UniProt: Q9ULX7 (CAH14_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.11
Assay: Inhibition of human carbonic anhydrase 14 preincubated for 15 mins by CO2 hydration stopped-flow assay
Drug: ridaforolimus
Target: Serine/threonine-protein kinase mTOR (Kinase)
Gene: MTOR
UniProt: P42345 (MTOR_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 9.699
Action type: INHIBITOR
Assay: Measured as dose-dependent inhibition of phosphorylation of ribosomal protein S6, a signaling protein downstream of mTOR
Drug: gramicidin
Target: Sodium/potassium-transporting ATPase subunit alpha-2 (Ion channel)
Gene: ATP1A2
UniProt: D2WKD8 (AT1A2_PIG)
Organism: Sus scrofa
Activity: IC50 = 5.289
Assay: DRUGMATRIX: ATPase, Na+/K+ enzyme inhibition (substrate: ATP)
Drug: gramicidin
Target: Endothelin-1 receptor (GPCR)
Gene: EDNRA
UniProt: P25101 (EDNRA_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.736
Assay: DRUGMATRIX: Endothelin ETA radioligand binding (ligand: [125I] Endothelin-1)
Drug: gramicidin
Target: Tyrosine-protein kinase Lck (Kinase)
Gene: LCK
UniProt: P06239 (LCK_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.961
Assay: DRUGMATRIX: Protein Tyrosine Kinase, LCK enzyme inhibition (substrate: Poly(Glu:Tyr))
Drug: gramicidin
Target: Tyrosine-protein kinase Fyn (Kinase)
Gene: FYN
UniProt: P06241 (FYN_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.477
Assay: DRUGMATRIX: Protein Tyrosine Kinase, Fyn enzyme inhibition (substrate: Poly(Glu:Tyr))
Drug: gramicidin
Target: Thromboxane-A synthase (Enzyme)
Gene: TBXAS1
UniProt: P24557 (THAS_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.111
Assay: DRUGMATRIX: Thromboxane Synthetase enzyme inhibition (substrate: PGH2)
Drug: gramicidin
Target: Substance-K receptor (GPCR)
Gene: TACR2
UniProt: P21452 (NK2R_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.818
Assay: DRUGMATRIX: Tachykinin NK2  radioligand binding (ligand: [3H] SR-48968)
Drug: gramicidin
Target: Melanocortin receptor 4 (GPCR)
Gene: MC4R
UniProt: P32245 (MC4R_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.497
Assay: DRUGMATRIX: Melanocortin MC4 radioligand binding (ligand: [125I] NDP-alpha-MSH)
Drug: gramicidin
Target: Melanocortin receptor 5 (GPCR)
Gene: MC5R
UniProt: P33032 (MC5R_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.724
Assay: DRUGMATRIX: Melanocortin MC5 radioligand binding (ligand: [125I] NDP-alpha-MSH)
Drug: sodium propionate
Target: Carbonic anhydrase (Enzyme)
Gene: NCE103
UniProt: Q5AJ71 (CAN_CANAL)
Organism: Candida albicans (strain SC5314 / ATCC MYA-2876)
Activity: Ki = 4.29
Assay: Inhibition of Candida albicans Nce103
Drug: sodium propionate
Target: Free fatty acid receptor 3 (GPCR)
Gene: Ffar3
UniProt: B2GV46 (FFAR3_RAT)
Organism: Rattus norvegicus
Activity: EC50 = 5.3
Assay: Agonist activity at rat GPR41 expressed in Saccharomyces cerevisiae MMY22 co-expressing chimeric Gpa1/Galpha0 by induction of FUSl-lacZ and FUS1-HIS3 reporter gene induction based pheromone response pathway coupled assay
Drug: sodium nitrite
Target: Carbonic anhydrase 2 (Enzyme)
Gene: CA2
UniProt: P00918 (CAH2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 1.2
Assay: Inhibitory activity against human carbonic anhydrase II expressed in Escherichia coli
Drug: sodium nitrite
Target: Carbonic anhydrase 1 (Enzyme)
Gene: CA1
UniProt: P00915 (CAH1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 2.08
Assay: Inhibitory activity against human carbonic anhydrase I expressed in Escherichia coli
Drug: sodium nitrite
Target: Carbonic anhydrase 13 (Enzyme)
Gene: Ca13
UniProt: Q9D6N1 (CAH13_MOUSE)
Organism: Mus musculus
Activity: Ki = 1.9
Assay: Inhibitory activity against mouse carbonic anhydrase XIII expressed in Escherichia coli TOP 10
Drug: vilanterol
Target: Beta-1 adrenergic receptor (GPCR)
Gene: ADRB1
UniProt: P08588 (ADRB1_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 6.4
Drug: vilanterol
Target: Beta-2 adrenergic receptor (GPCR)
Gene: ADRB2
UniProt: P07550 (ADRB2_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 9.4
Action type: AGONIST
Drug: vilanterol
Target: Beta-3 adrenergic receptor (GPCR)
Gene: ADRB3
UniProt: P13945 (ADRB3_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 6.1
Drug: dabrafenib
Target: RAF proto-oncogene serine/threonine-protein kinase (Kinase)
Gene: RAF1
UniProt: P04049 (RAF1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.82
Drug: dabrafenib
Target: Serine/threonine-protein kinase B-raf (Kinase)
Gene: BRAF
UniProt: P15056 (BRAF_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 9.155
Action type: INHIBITOR
Drug: dabrafenib
Target: Receptor-interacting serine/threonine-protein kinase 2 (Kinase)
Gene: RIPK2
UniProt: O43353 (RIPK2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.11
Assay: Inhibition of human RIPK2 using MBP as substrate by [gamma33-ATP] based radiometric assay
Drug: dabrafenib
Target: TGF-beta receptor type-1 (Kinase)
Gene: TGFBR1
UniProt: P36897 (TGFR1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.43
Assay: Inhibition of Alk5 in TGF-beta-stimulated human HepG2 cells assessed as decrease in Smad2 phosphorylation treated for 45 mins prior to TGF-beta stimulation measured after 60 mins by odyssey blot scanner analysis
Drug: dabrafenib
Target: Receptor-interacting serine/threonine-protein kinase 1 (Kinase)
Gene: RIPK1
UniProt: Q13546 (RIPK1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.27
Assay: Inhibition of human RIPK1 using MBP as substrate by [gamma33-ATP] based radiometric assay
Drug: dabrafenib
Target: Dual serine/threonine and tyrosine protein kinase (Kinase)
Gene: DSTYK
UniProt: Q6XUX3 (DUSTY_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.53
Assay: Inhibition of human RIPK5 using MBP as substrate by [gamma33-ATP] based radiometric assay
Drug: dabrafenib
Target: Serine/threonine-protein kinase A-Raf (Kinase)
Gene: ARAF
UniProt: P10398 (ARAF_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.59
Drug: dabrafenib
Target: GTPase KRas (Enzyme)
Gene: KRAS
UniProt: P01116 (RASK_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.23
Assay: Inhibition of KRAS G13D mutant in human HCT116 cells assessed as inhibition of ERK phosphorylation by ELISA
Drug: dabrafenib
Target: Receptor-interacting serine/threonine-protein kinase 3 (Kinase)
Gene: RIPK3
UniProt: Q9Y572 (RIPK3_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8.7
Assay: Inhibition of human RIPK3 using MBP as substrate by [gamma33-ATP] based radiometric assay
Drug: trametinib
Target: Multidrug resistance protein 1 (Transporter)
Gene: ABCB1
UniProt: P08183 (MDR1_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 6.61
Assay: Inhibition of ABCB1 in human A2780/ADR cells assessed as potentiation of daunorubicin-induced cytotoxicity measured after 72 hrs by MTT assay
Drug: trametinib
Target: Dual specificity mitogen-activated protein kinase kinase 1 (Kinase)
Gene: MAP2K1
UniProt: Q02750 (MP2K1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8.745
Action type: INHIBITOR
Drug: trametinib
Target: Dual specificity mitogen-activated protein kinase kinase 2 (Kinase)
Gene: MAP2K2
UniProt: P36507 (MP2K2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 9.036
Action type: INHIBITOR
Drug: palifermin
Target: Fibroblast growth factor receptor 2 (Kinase)
Gene: FGFR2
UniProt: P21802 (FGFR2_HUMAN)
Organism: Homo sapiens
Action type: AGONIST
Assay: Mechanism of Action
Drug: dolutegravir
Target: Sigma non-opioid intracellular receptor 1 (Membrane receptor)
Gene: Sigmar1
UniProt: Q9R0C9 (SGMR1_RAT)
Organism: Rattus norvegicus
Activity: Ki = 6.66
Assay: Displacement of (+)-[3H]pentazocine from sigma1 receptor in rat brain membranes after 60 mins by liquid scintillation counting method
Drug: dolutegravir
Target: Sigma non-opioid intracellular receptor 1 (Membrane other)
Gene: SIGMAR1
UniProt: Q60492 (SGMR1_CAVPO)
Organism: Cavia porcellus
Activity: Ki = 7.15
Drug: dolutegravir
Target: Vesicular acetylcholine transporter (Transporter)
Gene: Slc18a3
UniProt: Q62666 (VACHT_RAT)
Organism: Rattus norvegicus
Activity: Ki = 5.34
Assay: Displacement of (-)-[3H]vesamicol from rat VAChT expressed in rat PC12 cell membranes after 60 mins by liquid scintillation counting method
Drug: dolutegravir
Target: Integrase (Enzyme)
UniProt: Q76353 (Q76353_9HIV1)
Organism: Human immunodeficiency virus 1
Activity: IC50 = 8.57
Assay: Inhibition of strand transfer activity of Human immunodeficiency virus 1 Integrase using [3H]labeled target DNA as substrate after 45 mins by scintillation counting
Drug: dolutegravir
Target: Sigma intracellular receptor 2 (Unclassified)
Gene: Tmem97
UniProt: Q5U3Y7 (SGMR2_RAT)
Organism: Rattus norvegicus
Activity: Ki = 7.5
Assay: Displacement of [3H]DTG from sigma2 receptor in rat liver membranes after 60 mins by liquid scintillation counting method
Drug: dolutegravir
Target: Integrase (Enzyme)
Gene: pol
UniProt: Q7ZJM1 (Q7ZJM1_9HIV1)
Organism: Human immunodeficiency virus 1
Activity: IC50 = 8.131
Action type: INHIBITOR
Assay: HIV-1 integrase catalyzed strand transfer
Drug: vortioxetine
Target: Beta-1 adrenergic receptor (GPCR)
Gene: ADRB1
UniProt: P08588 (ADRB1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.34
Assay: Binding affinity to human beta 1 adrenergic receptor
Drug: vortioxetine
Target: Beta-2 adrenergic receptor (GPCR)
Gene: ADRB2
UniProt: P07550 (ADRB2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.25
Assay: Binding affinity to human beta 2 adrenergic receptor
Drug: vortioxetine
Target: 5-hydroxytryptamine receptor 2A (GPCR)
Gene: HTR2A
UniProt: P28223 (5HT2A_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.74
Assay: Binding affinity to human 5HT2A receptor
Drug: vortioxetine
Target: 5-hydroxytryptamine receptor 2C (GPCR)
Gene: HTR2C
UniProt: P28335 (5HT2C_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.74
Assay: Binding affinity to human 5HT2C receptor
Drug: vortioxetine
Target: 5-hydroxytryptamine receptor 6 (GPCR)
Gene: HTR6
UniProt: P50406 (5HT6R_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.48
Assay: Binding affinity to human 5HT6 receptor
Drug: vortioxetine
Target: Histamine H1 receptor (GPCR)
Gene: HRH1
UniProt: P35367 (HRH1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.74
Assay: Binding affinity to human histamine H1 receptor
Drug: vortioxetine
Target: Histamine H2 receptor (GPCR)
Gene: HRH2
UniProt: P25021 (HRH2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.74
Assay: Binding affinity to human histamine H2 receptor
Drug: vortioxetine
Target: 5-hydroxytryptamine receptor 5A (GPCR)
Gene: HTR5A
UniProt: P47898 (5HT5A_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.66
Assay: Binding affinity to human 5HT5A receptor
Drug: vortioxetine
Target: Sodium-dependent serotonin transporter (Transporter)
Gene: Slc6a4
UniProt: P31652 (SC6A4_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 8.28
Assay: Inhibition of SERT-mediated [3H]5HT uptake in rat synaptosomes by scintillation counting
Drug: vortioxetine
Target: Sodium-dependent dopamine transporter (Transporter)
Gene: Slc6a3
UniProt: P23977 (SC6A3_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 6.05
Assay: Inhibition of DAT-mediated [3H]DA in rat synaptosomes by scintillation counting
Drug: vortioxetine
Target: 5-hydroxytryptamine receptor 3A (Ion channel)
Gene: Htr3a
UniProt: P35563 (5HT3A_RAT)
Organism: Rattus norvegicus
Activity: Ki = 6.64
Assay: Binding affinity to rat 5HT3A receptor
Drug: vortioxetine
Target: 5-hydroxytryptamine receptor 1D (GPCR)
Gene: Htr1d
UniProt: P28565 (5HT1D_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 5.4
Action type: ANTAGONIST
Drug: vortioxetine
Target: 5-hydroxytryptamine receptor 7 (GPCR)
Gene: Htr7
UniProt: P32305 (5HT7R_RAT)
Organism: Rattus norvegicus
Activity: Ki = 6.699
Assay: antagonist
Drug: vortioxetine
Target: Sodium-dependent serotonin transporter (Transporter)
Gene: SLC6A4
UniProt: P31645 (SC6A4_HUMAN)
Organism: Homo sapiens
Activity: Ki = 8.796
Action type: INHIBITOR
Assay: inhibitor
Drug: vortioxetine
Target: 5-hydroxytryptamine receptor 1A (GPCR)
Gene: HTR1A
UniProt: P08908 (5HT1A_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.824
Action type: AGONIST
Assay: agonist
Drug: vortioxetine
Target: 5-hydroxytryptamine receptor 7 (GPCR)
Gene: HTR7
UniProt: P34969 (5HT7R_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.721
Action type: ANTAGONIST
Assay: antagonist
Drug: vortioxetine
Target: 5-hydroxytryptamine receptor 1B (GPCR)
Gene: HTR1B
UniProt: P28222 (5HT1B_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.481
Action type: AGONIST
Assay: partial agonist
Drug: vortioxetine
Target: 5-hydroxytryptamine receptor 3A (Ion channel)
Gene: HTR3A
UniProt: P46098 (5HT3A_HUMAN)
Organism: Homo sapiens
Activity: Ki = 8.432
Action type: ANTAGONIST
Assay: antagonist
Drug: vortioxetine
Target: 5-hydroxytryptamine receptor 1D (GPCR)
Gene: HTR1D
UniProt: P28221 (5HT1D_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.268
Action type: ANTAGONIST
Assay: Mechanism of Action
Drug: riociguat
Target: cAMP-specific 3',5'-cyclic phosphodiesterase 7B (Enzyme)
Gene: PDE7B
UniProt: Q9NP56 (PDE7B_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.538
Assay: radioligand binding
Drug: riociguat
Target: Guanylate cyclase soluble subunit beta-1 (Enzyme)
Gene: GUCY1B3
UniProt: Q02153 (GCYB1_HUMAN)
Organism: Homo sapiens
Activity: MEC = 7.523
Action type: POSITIVE ALLOSTERIC MODULATOR
Assay: minimal effective concentration to achieve threefold stimulation of cGMP formation in a recombinant sGC-overexpressing cell line
Drug: ipidacrine
Target: Acetylcholinesterase (Enzyme)
Gene: ACHE
UniProt: P22303 (ACES_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.18
Assay: In vitro inhibition of acetylcholinesterase isolated from human erythrocytes.
Drug: ipidacrine
Target: Acetylcholinesterase (Enzyme)
Gene: ache
UniProt: O42275 (ACES_ELEEL)
Organism: Electrophorus electricus
Activity: IC50 = 6.77
Drug: ipidacrine
Target: Cholinesterase (Enzyme)
Gene: BCHE
UniProt: P81908 (CHLE_HORSE)
Organism: Equus caballus
Activity: IC50 = 7.15
Drug: ipidacrine
Target: Butyrylcholinesterase; Protein Bche (Enzyme)
Gene: Bche
UniProt: Q9JKC1 (Q9JKC1_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 6.658
Drug: ipidacrine
Target: Acetylcholinesterase (Enzyme)
Gene: Ache
UniProt: P37136 (ACES_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 6.569
Drug: macitentan
Target: Endothelin-1 receptor (GPCR)
Gene: EDNRA
UniProt: P25101 (EDNRA_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 9.301
Action type: ANTAGONIST
Assay: IC50 value as determined in binding assays using membranes of Chinese hamster ovary (CHO) cells containing recombinant ETA
Drug: macitentan
Target: Endothelin B receptor (GPCR)
Gene: EDNRB
UniProt: P24530 (EDNRB_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.408
Action type: ANTAGONIST
Assay: IC50 value as determined in binding assays using membranes of Chinese hamster ovary (CHO) cells containing recombinant ETB
Drug: ibrutinib
Target: Potassium voltage-gated channel subfamily H member 2 (Ion channel)
Gene: KCNH2
UniProt: Q12809 (KCNH2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.96
Assay: Binding affinity to human ERG
Drug: ibrutinib
Target: Tyrosine-protein kinase ABL1 (Kinase)
Gene: ABL1
UniProt: P00519 (ABL1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.07
Assay: HotSpot kinase assay: IC50s were determined using the in vitro HotSpot kinase assay (purified enzymes, 33P-ATP, an appropriate substrate and 1 μM ATP.). For enzyme inhibition assays, compounds were tested in range of ten concentrations from 10 uM to 0.0005 uM using purified enzymes and the Hotspot kinase assay. Reaction conditions were 1 uM ATP, one hour incubation with inhibitor, and kinase activity detected using 33-ATP phosphorylation of an appropriately selected peptide substrate.
Drug: ibrutinib
Target: Epidermal growth factor receptor (Kinase)
Gene: EGFR
UniProt: P00533 (EGFR_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8.25
Assay: Inhibition of ErbB1 relative to control
Drug: ibrutinib
Target: Proto-oncogene tyrosine-protein kinase receptor Ret (Kinase)
Gene: RET
UniProt: P07949 (RET_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.43
Assay: Inhibition of RET
Drug: ibrutinib
Target: Tyrosine-protein kinase CSK (Kinase)
Gene: CSK
UniProt: P41240 (CSK_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8.66
Assay: HotSpot kinase assay: IC50s were determined using the in vitro HotSpot kinase assay (purified enzymes, 33P-ATP, an appropriate substrate and 1 μM ATP.). For enzyme inhibition assays, compounds were tested in range of ten concentrations from 10 uM to 0.0005 uM using purified enzymes and the Hotspot kinase assay. Reaction conditions were 1 uM ATP, one hour incubation with inhibitor, and kinase activity detected using 33-ATP phosphorylation of an appropriately selected peptide substrate.
Drug: ibrutinib
Target: Cytoplasmic tyrosine-protein kinase BMX (Kinase)
Gene: BMX
UniProt: P51813 (BMX_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 9.1
Assay: Inhibition of BMX
Drug: ibrutinib
Target: Tyrosine-protein kinase Fer (Kinase)
Gene: FER
UniProt: P16591 (FER_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.09
Assay: HotSpot kinase assay: IC50s were determined using the in vitro HotSpot kinase assay (purified enzymes, 33P-ATP, an appropriate substrate and 1 μM ATP.). For enzyme inhibition assays, compounds were tested in range of ten concentrations from 10 uM to 0.0005 uM using purified enzymes and the Hotspot kinase assay. Reaction conditions were 1 uM ATP, one hour incubation with inhibitor, and kinase activity detected using 33-ATP phosphorylation of an appropriately selected peptide substrate.
Drug: ibrutinib
Target: Fibroblast growth factor receptor 2 (Kinase)
Gene: FGFR2
UniProt: P21802 (FGFR2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.55
Drug: ibrutinib
Target: Protein-tyrosine kinase 6 (Kinase)
Gene: PTK6
UniProt: Q13882 (PTK6_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8.48
Assay: HotSpot kinase assay: IC50s were determined using the in vitro HotSpot kinase assay (purified enzymes, 33P-ATP, an appropriate substrate and 1 μM ATP.). For enzyme inhibition assays, compounds were tested in range of ten concentrations from 10 uM to 0.0005 uM using purified enzymes and the Hotspot kinase assay. Reaction conditions were 1 uM ATP, one hour incubation with inhibitor, and kinase activity detected using 33-ATP phosphorylation of an appropriately selected peptide substrate.
Drug: ibrutinib
Target: Redox-regulatory protein FAM213A (Unclassified)
Gene: FAM213A
UniProt: Q9BRX8 (F213A_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.05
Assay: Inhibition of PF-06658607 binding to recombinant C-terminal FLAG-tagged FAM213A (unknown origin) expressed in HEK293T cells after 1 hr by gel-based ABPP assay
Drug: ibrutinib
Target: Tyrosine-protein kinase Lyn (Kinase)
Gene: LYN
UniProt: P07948 (LYN_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.854
Assay: measured in anti-IgM stimulated Ramos human B cell line
Drug: ibrutinib
Target: Tyrosine-protein kinase JAK3 (Kinase)
Gene: JAK3
UniProt: P52333 (JAK3_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.495
Action type: INHIBITOR
Drug: ibrutinib
Target: Proto-oncogene tyrosine-protein kinase Src (Kinase)
Gene: SRC
UniProt: P12931 (SRC_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.721
Action type: INHIBITOR
Drug: ibrutinib
Target: Tyrosine-protein kinase Lck (Kinase)
Gene: LCK
UniProt: P06239 (LCK_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8.201
Action type: INHIBITOR
Drug: ibrutinib
Target: Tyrosine-protein kinase Yes (Kinase)
Gene: YES1
UniProt: P07947 (YES_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8.387
Action type: INHIBITOR
Drug: ibrutinib
Target: Tyrosine-protein kinase Fyn (Kinase)
Gene: FYN
UniProt: P06241 (FYN_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.538
Action type: INHIBITOR