AIM-Harvard/TrialPanorama-filtered huggingface dataset:
Drug: pazopanib
Target: Interleukin-1 receptor-associated kinase 1 (Kinase)
Gene: IRAK1
UniProt: P51617 (IRAK1_HUMAN)
Organism: Homo sapiens
Activity: Kd = 5.23
Assay: Binding constant for IRAK1 kinase domain
Drug: pazopanib
Target: Mitogen-activated protein kinase kinase kinase 2 (Kinase)
Gene: MAP3K2
UniProt: Q9Y2U5 (M3K2_HUMAN)
Organism: Homo sapiens
Activity: Kd = 6.54
Assay: Binding constant for MAP3K2 kinase domain
Drug: pazopanib
Target: Serine/threonine-protein kinase RIO2 (Kinase)
Gene: RIOK2
UniProt: Q9BVS4 (RIOK2_HUMAN)
Organism: Homo sapiens
Activity: Kd = 6.21
Assay: Binding constant for RIOK2 kinase domain
Drug: pazopanib
Target: Serine/threonine-protein kinase TAO1 (Kinase)
Gene: TAOK1
UniProt: Q7L7X3 (TAOK1_HUMAN)
Organism: Homo sapiens
Activity: Kd = 6.62
Assay: Binding constant for TAOK1 kinase domain
Drug: pazopanib
Target: Serine/threonine-protein kinase TAO3 (Kinase)
Gene: TAOK3
UniProt: Q9H2K8 (TAOK3_HUMAN)
Organism: Homo sapiens
Activity: Kd = 7.35
Assay: Binding constant for TAOK3 kinase domain
Drug: pazopanib
Target: Mitogen-activated protein kinase kinase kinase 19 (Kinase)
Gene: MAP3K19
UniProt: Q56UN5 (M3K19_HUMAN)
Organism: Homo sapiens
Activity: Kd = 6.03
Assay: Binding constant for YSK4 kinase domain
Drug: pazopanib
Target: Mitogen-activated protein kinase kinase kinase 1 (Kinase)
Gene: MAP3K1
UniProt: Q13233 (M3K1_HUMAN)
Organism: Homo sapiens
Activity: Kd = 5.54
Assay: Binding constant for MAP3K1 kinase domain
Drug: pazopanib
Target: Phosphatidylinositol 4-kinase beta (Kinase)
Gene: PI4KB
UniProt: Q9UBF8 (PI4KB_HUMAN)
Organism: Homo sapiens
Activity: Kd = 6.02
Assay: Binding constant for PIK4CB kinase domain
Drug: pazopanib
Target: Bone morphogenetic protein receptor type-1B (Kinase)
Gene: BMPR1B
UniProt: O00238 (BMR1B_HUMAN)
Organism: Homo sapiens
Activity: Kd = 6
Assay: Binding constant for BMPR1B kinase domain
Drug: pazopanib
Target: Phosphatidylinositol 4-phosphate 5-kinase type-1 gamma (Kinase)
Gene: PIP5K1C
UniProt: O60331 (PI51C_HUMAN)
Organism: Homo sapiens
Activity: Kd = 5.72
Assay: Binding constant for PIP5K1C kinase domain
Drug: pazopanib
Target: Serine/threonine-protein kinase TAO2 (Kinase)
Gene: TAOK2
UniProt: Q9UL54 (TAOK2_HUMAN)
Organism: Homo sapiens
Activity: Kd = 5.74
Assay: Binding constant for TAOK2 kinase domain
Drug: pazopanib
Target: Phosphatidylinositol 5-phosphate 4-kinase type-2 gamma (Kinase)
Gene: PIP4K2C
UniProt: Q8TBX8 (PI42C_HUMAN)
Organism: Homo sapiens
Activity: Kd = 6.55
Assay: Binding constant for PIP5K2C kinase domain
Drug: pazopanib
Target: Dual specificity mitogen-activated protein kinase kinase 5 (Kinase)
Gene: MAP2K5
UniProt: Q13163 (MP2K5_HUMAN)
Organism: Homo sapiens
Activity: Kd = 6.32
Assay: Binding constant for MEK5 kinase domain
Drug: pazopanib
Target: Calcium-dependent protein kinase 1 (Kinase)
Gene: CPK1
UniProt: P62344 (CDPK1_PLAF7)
Organism: Plasmodium falciparum
Activity: Kd = 6.43
Assay: Binding constant for PFCDPK1(P.falciparum) kinase domain
Drug: romidepsin
Target: Histone deacetylase 5 (Enzyme)
Gene: HDAC5
UniProt: Q9UQL6 (HDAC5_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.26
Action type: INHIBITOR
Drug: romidepsin
Target: Histone deacetylase 2 (Enzyme)
Gene: HDAC2
UniProt: Q92769 (HDAC2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.328
Drug: romidepsin
Target: Histone deacetylase 1 (Enzyme)
Gene: HDAC1
UniProt: Q13547 (HDAC1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7
Drug: romidepsin
Target: Histone deacetylase 3 (Enzyme)
Gene: HDAC3
UniProt: O15379 (HDAC3_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.604
Drug: romidepsin
Target: Histone deacetylase 6 (Enzyme)
Gene: HDAC6
UniProt: Q9UBN7 (HDAC6_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.523
Drug: romidepsin
Target: Histone deacetylase 7 (Enzyme)
Gene: HDAC7
UniProt: Q8WUI4 (HDAC7_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.9
Action type: INHIBITOR
Drug: romidepsin
Target: Histone deacetylase 8 (Enzyme)
Gene: HDAC8
UniProt: Q9BY41 (HDAC8_HUMAN)
Organism: Homo sapiens
Activity: Ki = 9.82
Action type: INHIBITOR
Drug: romidepsin
Target: Histone deacetylase 4 (Enzyme)
Gene: HDAC4
UniProt: P56524 (HDAC4_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.292
Drug: romidepsin
Target: Histone deacetylase 9 (Enzyme)
Gene: HDAC9
UniProt: Q9UKV0 (HDAC9_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.96
Action type: INHIBITOR
Drug: romidepsin
Target: Bromodomain-containing protein 4 (Unclassified)
Gene: BRD4
UniProt: O60885 (BRD4_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.44
Assay: Inhibition of BRD4 (unknown origin)
Drug: romidepsin
Target: Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) (Transcription factor)
Gene: HDAC3|NCOR2
UniProt: O15379|Q9Y618 (HDAC3_HUMAN|NCOR2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.74
Assay: Inhibition of recombinant human HDAC3/NCOR2 using Boc-L-Lys(epsilon-trifluoroacetyl)-AMC as substrate by two-step fluorogenic assay
Drug: romidepsin
Target: Histone deacetylase 3/NCoR1 (Transcription factor)
Gene: HDAC3|NCOR1
UniProt: O15379|O75376 (HDAC3_HUMAN|NCOR1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 9.82
Assay: Inhibition of GST-tagged recombinant human HDAC3/NcoR1 enzyme using flurogenic Ac-LeuGlyLys (Ac)-AMC as substrate after 15 to 30 mins
Drug: romidepsin
Target: Histone deacetylase 6 (Enzyme)
Gene: Hdac6
UniProt: Q9Z2V5 (HDAC6_MOUSE)
Organism: Mus musculus
Activity: IC50 = 6.41
Assay: Inhibition of mouse HDAC6 using Ac-KGLGK(Ac)-MCA as substrate after 30 mins by fluorescence assay
Drug: romidepsin
Target: Histone deacetylase (Enzyme)
Gene: HDAC3|HDAC4|HDAC1|HDAC7|HDAC2|HDAC10|HDAC11|HDAC8|HDAC6|HDAC9|HDAC5
UniProt: O15379|P56524|Q13547|Q8WUI4|Q92769|Q969S8|Q96DB2|Q9BY41|Q9UBN7|Q9UKV0|Q9UQL6 (HDAC3_HUMAN|HDAC4_HUMAN|HDAC1_HUMAN|HDAC7_HUMAN|HDAC2_HUMAN|HDA10_HUMAN|HDA11_HUMAN|HDAC8_HUMAN|HDAC6_HUMAN|HDAC9_HUMAN|HDAC5_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.96
Action type: INHIBITOR
Drug: dexfosfoserine
Target: Metabotropic glutamate receptor 4 (GPCR)
Gene: GRM4
UniProt: Q14833 (GRM4_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 6
Assay: Agonistic activity at Metabotropic glutamate receptor 4 expressed in mammalian cells by GTPgammaS binding assay
Drug: dexfosfoserine
Target: Metabotropic glutamate receptor 7 (GPCR)
Gene: GRM7
UniProt: Q14831 (GRM7_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 4.5
Action type: AGONIST
Drug: dexfosfoserine
Target: Metabotropic glutamate receptor 6 (GPCR)
Gene: GRM6
UniProt: O15303 (GRM6_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 6.4
Action type: AGONIST
Drug: dexfosfoserine
Target: Metabotropic glutamate receptor 8 (GPCR)
Gene: GRM8
UniProt: O00222 (GRM8_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.2
Action type: AGONIST
Drug: dexfosfoserine
Target: Metabotropic glutamate receptor 4 (GPCR)
Gene: Grm4
UniProt: P31423 (GRM4_RAT)
Organism: Rattus norvegicus
Activity: EC50 = 5.4
Assay: Concentration for half maximal activation of metabotropic glutamate mGluR4a in rat
Drug: dexfosfoserine
Target: Metabotropic glutamate receptor 6 (GPCR)
Gene: Grm6
UniProt: P35349 (GRM6_RAT)
Organism: Rattus norvegicus
Activity: EC50 = 5.57
Assay: Concentration for half maximal activation of metabotropic glutamate mGluR6 in rat
Drug: auranofin
Target: Alpha-2A adrenergic receptor (GPCR)
Gene: ADRA2A
UniProt: P08913 (ADA2A_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.48
Assay: DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)
Drug: auranofin
Target: Alpha-2B adrenergic receptor (GPCR)
Gene: ADRA2B
UniProt: P18089 (ADA2B_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.44
Assay: DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)
Drug: auranofin
Target: D(3) dopamine receptor (GPCR)
Gene: DRD3
UniProt: P35462 (DRD3_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.65
Assay: DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)
Drug: auranofin
Target: Glucocorticoid receptor (Nuclear hormone receptor)
Gene: NR3C1
UniProt: P04150 (GCR_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.223
Assay: DRUGMATRIX: Glucocorticoid radioligand binding (ligand: [3H] Dexamethasone)
Drug: auranofin
Target: Adenosine receptor A3 (GPCR)
Gene: ADORA3
UniProt: P0DMS8 (AA3R_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.02
Assay: DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA)
Drug: auranofin
Target: D(4) dopamine receptor (GPCR)
Gene: DRD4
UniProt: P21917 (DRD4_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.405
Assay: DRUGMATRIX: Dopamine D4.2 radioligand binding (ligand: [3H] Spiperone)
Drug: auranofin
Target: Arachidonate 5-lipoxygenase (Enzyme)
Gene: ALOX5
UniProt: P09917 (LOX5_HUMAN)
Organism: Homo sapiens
Drug: auranofin
Target: Thioredoxin reductase 1, cytoplasmic (Enzyme)
Gene: TXNRD1
UniProt: Q16881 (TRXR1_HUMAN)
Organism: Homo sapiens
Drug: auranofin
Target: Tyrosine-protein kinase Fyn (Kinase)
Gene: FYN
UniProt: P06241 (FYN_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.922
Assay: DRUGMATRIX: Protein Tyrosine Kinase, Fyn enzyme inhibition (substrate: Poly(Glu:Tyr))
Drug: auranofin
Target: Transient receptor potential cation channel subfamily A member 1 (Ion channel)
Gene: TRPA1
UniProt: O75762 (TRPA1_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 6
Action type: ACTIVATOR
Assay: Calcium imaging
Drug: lubiprostone
Target: Chloride channel protein 2 (Ion channel)
Gene: CLCN2
UniProt: P51788 (CLCN2_HUMAN)
Organism: Homo sapiens
Action type: OPENER
Drug: vorinostat
Target: Histone deacetylase 5 (Enzyme)
Gene: HDAC5
UniProt: Q9UQL6 (HDAC5_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.48
Assay: Inhibition of HDAC5
Drug: vorinostat
Target: Histone deacetylase 2 (Enzyme)
Gene: HDAC2
UniProt: Q92769 (HDAC2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 8.8
Action type: INHIBITOR
Assay: Inhibition of human HDAC2
Drug: vorinostat
Target: Histone deacetylase 1 (Enzyme)
Gene: HDAC1
UniProt: Q13547 (HDAC1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 8.89
Action type: INHIBITOR
Assay: Inhibition of human HDAC1
Drug: vorinostat
Target: Histone deacetylase 3 (Enzyme)
Gene: HDAC3
UniProt: O15379 (HDAC3_HUMAN)
Organism: Homo sapiens
Activity: Ki = 8.3
Action type: INHIBITOR
Assay: Inhibition of human HDAC3
Drug: vorinostat
Target: Histone deacetylase 6 (Enzyme)
Gene: HDAC6
UniProt: Q9UBN7 (HDAC6_HUMAN)
Organism: Homo sapiens
Activity: Ki = 9
Action type: INHIBITOR
Assay: Displacement of fluorescent 5-(3-(3-(4-((4-((7-(hydroxyamino)-7-oxoheptyl)carbamoyl)phenylamino)methyl)-1H-1,2,3-triazol-1-yl)propyl)thioureido)-2-(3-hydroxy-6-oxo-6H-xanthen-9-yl)benzoic acid from human HDAC6 by fluorescence polarization assay
Drug: vorinostat
Target: Histone deacetylase 7 (Enzyme)
Gene: HDAC7
UniProt: Q8WUI4 (HDAC7_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.89
Assay: Competitive inhibition of HDAC7 using KI-104 as substrate by fluorescence assay
Drug: vorinostat
Target: Histone deacetylase 8 (Enzyme)
Gene: HDAC8
UniProt: Q9BY41 (HDAC8_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.76
Assay: Competitive inhibition of HDAC8 using KI-104 as substrate by fluorescence assay
Drug: vorinostat
Target: Histone deacetylase 4 (Enzyme)
Gene: HDAC4
UniProt: P56524 (HDAC4_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.8
Assay: Inhibition of HDAC4
Drug: vorinostat
Target: Histone deacetylase 9 (Enzyme)
Gene: HDAC9
UniProt: Q9UKV0 (HDAC9_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.31
Assay: Competitive inhibition of HDAC9 using KI-104 as substrate by fluorescence assay
Drug: vorinostat
Target: Leukotriene A-4 hydrolase (Enzyme)
Gene: LTA4H
UniProt: P09960 (LKHA4_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.12
Assay: Inhibition of recombinant human LTA4H Epoxide Hydrolase expressed in Escherichia coli BL21 (DE3) pLysS preincubated for 10 mins followed by addition of LTA4 as substrate measured after 15 mins by reverse-phase HPLC analysis
Drug: vorinostat
Target: Histone deacetylase 10 (Enzyme)
Gene: HDAC10
UniProt: Q969S8 (HDA10_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.3
Assay: Inhibition of HDAC10
Drug: vorinostat
Target: HD2 type histone deacetylase HDA106; Histone deacetylase 2b; Uncharacterized protein (Enzyme)
Gene: hda106
UniProt: Q94F81 (Q94F81_MAIZE)
Organism: Zea mays
Activity: IC50 = 7.3
Assay: In vitro for anti-HD2 (Histone deacetylase 2) activity in maize
Drug: vorinostat
Target: Histone deacetylase 1 (Enzyme)
Gene: Hdac1
UniProt: O09106 (HDAC1_MOUSE)
Organism: Mus musculus
Activity: IC50 = 6.95
Assay: In vitro for anti-HDAC1 (Histone deacetylase 1) activity in mouse A20 cells
Drug: vorinostat
Target: Histone deacetylase (Enzyme)
Gene: hd1b
UniProt: Q9ZTP8 (Q9ZTP8_MAIZE)
Organism: Zea mays
Activity: IC50 = 7.55
Assay: Inhibition of maize HD1B
Drug: vorinostat
Target: Histone deacetylase (Enzyme)
Gene: HDAC1
UniProt: Q9XYC7 (Q9XYC7_PLAFA)
Organism: Plasmodium falciparum
Activity: IC50 = 7.23
Assay: Inhibition of Plasmodium falciparum HDAC1 expressed in Drosophila melanogaster S2 cells
Drug: vorinostat
Target: Histone deacetylase-like amidohydrolase (Enzyme)
Gene: hdaH
UniProt: Q70I53 (HDAH_ALCSD)
Organism: Alcaligenes sp. (strain DSM 11172)
Activity: Kd = 6.52
Assay: Inhibition of Bordetella FB188 HDAH using Boc-L-Lys(acetyl)-MCA as substrate by fluorogenic enzymatic assay
Drug: vorinostat
Target: Histone deacetylase 11 (Enzyme)
Gene: HDAC11
UniProt: Q96DB2 (HDA11_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.89
Assay: Inhibition of recombinant human HDAC11 enzyme using Ac-LeuGlyLys(Ac)-AMC as substrate after 15 to 30 mins
Drug: vorinostat
Target: Histone deacetylase (Enzyme)
Gene: PfHDAC1
UniProt: Q7K6A1 (Q7K6A1_PLAF7)
Organism: Plasmodium falciparum
Activity: IC50 = 7
Assay: Inhibition of Plasmodium falciparum 3D7 histone deacetylase infected in human erythrocytes assessed as alteration of histone H3 acetylation after 3.5 hrs by SDS-PAGE
Drug: vorinostat
Target: Lysine-specific demethylase 4E (Enzyme)
Gene: KDM4E
UniProt: B2RXH2 (KDM4E_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.85
Assay: Inhibition of JMJD2E pre-incubated for 30 mins
Drug: vorinostat
Target: Bromodomain-containing protein 4 (Unclassified)
Gene: BRD4
UniProt: O60885 (BRD4_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8
Assay: Inhibition of BRD4 (unknown origin)
Drug: vorinostat
Target: Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) (Transcription factor)
Gene: HDAC3|NCOR2
UniProt: O15379|Q9Y618 (HDAC3_HUMAN|NCOR2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 8.7
Assay: Displacement of fluorescent 5-(3-(3-(4-((4-((7-(hydroxyamino)-7-oxoheptyl)carbamoyl)phenylamino)methyl)-1H-1,2,3-triazol-1-yl)propyl)thioureido)-2-(3-hydroxy-6-oxo-6H-xanthen-9-yl)benzoic acid from human HDAC3/NcoR2 by fluorescence polarization assay
Drug: vorinostat
Target: Histone deacetylase 3/NCoR1 (Transcription factor)
Gene: HDAC3|NCOR1
UniProt: O15379|O75376 (HDAC3_HUMAN|NCOR1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.92
Assay: Inhibition of GST-tagged recombinant human HDAC3/NcoR1 enzyme using flurogenic Ac-LeuGlyLys (Ac)-AMC as substrate after 15 to 30 mins
Drug: vorinostat
Target: Histone deacetylase (Enzyme)
Gene: HDAC3|HDAC4|HDAC1|HDAC7|HDAC2|HDAC10|HDAC11|HDAC8|HDAC6|HDAC9|HDAC5
UniProt: O15379|P56524|Q13547|Q8WUI4|Q92769|Q969S8|Q96DB2|Q9BY41|Q9UBN7|Q9UKV0|Q9UQL6 (HDAC3_HUMAN|HDAC4_HUMAN|HDAC1_HUMAN|HDAC7_HUMAN|HDAC2_HUMAN|HDA10_HUMAN|HDA11_HUMAN|HDAC8_HUMAN|HDAC6_HUMAN|HDAC9_HUMAN|HDAC5_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8
Assay: Inhibitory activity against Histone deacetylase (HDAC) in K 562 erythroleukemia cells
Drug: vorinostat
Target: Histone deacetylase 1/3/5/8 (Enzyme)
Gene: HDAC3|HDAC1|HDAC8|HDAC5
UniProt: O15379|Q13547|Q9BY41|Q9UQL6 (HDAC3_HUMAN|HDAC1_HUMAN|HDAC8_HUMAN|HDAC5_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.96
Assay: Inhibition of HDAC1/3/5/8 in human HeLa cell extract using Boc-Lys-(acetyl)-AMC as substrate incubated for 5 mins prior to substrate addition measured after 30 mins by fluorometric analysis
Drug: vorinostat
Target: Histone deacetylase (HDAC1 and HDAC2) (Enzyme)
Gene: HDAC1|HDAC2
UniProt: Q13547|Q92769 (HDAC1_HUMAN|HDAC2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8
Assay: Inhibition of human histone deacetylase (mixture of HDAC1 and HDAC2) prepared from K562 erythroleukemia cells.
Drug: vorinostat
Target: Histone deacetylase (Enzyme)
Gene: Hdac2|Hdac1|Hdac5|Hdac3|Hdac7|Hdac6|Hdac4
UniProt: B1WBY8|Q4QQW4|Q5RJZ2|Q6P6W3|Q99P96|Q99P97|Q99P99 (B1WBY8_RAT|HDAC1_RAT|Q5RJZ2_RAT|HDAC3_RAT|HDAC7_RAT|Q99P97_RAT|HDAC4_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 6.78
Assay: Inhibitory concentration against rat liver Histone deacetylase
Drug: vorinostat
Target: Histone deacetylase 8 (Unclassified)
Gene: HDAC8
UniProt: A5H660 (A5H660_SCHMA)
Organism: Schistosoma mansoni
Activity: IC50 = 6.23
Assay: Inhibition of Schistosoma mansoni KDAC8 using (FAM)-labeled peptide as substrate after 60 mins by microfluidic assay
Drug: vorinostat
Target: Leukotriene A-4 hydrolase (Enzyme)
Gene: Lta4h
UniProt: P24527 (LKHA4_MOUSE)
Organism: Mus musculus
Activity: IC50 = 5.21
Assay: Inhibition of LTA4H in C57BL/6 mouse assessed as reduction in LTB4 production pre-incubated for 30 mins before 5-(methylamino)-2-({(2R,3R,6S,8S,9R,11R)-3,9,11-trimethyl-8-[(1S)-1-methyl-2-oxo-2-(1H-pyrrol-2-yl)ethyl]-1,7-dioxaspiro[5.5]undec-2-yl}methyl)-1,3-benzoxazole-4-carboxylic acid stimulation for 30 mins by ELISA
Drug: proline
Target: Angiotensin-converting enzyme (Enzyme)
Gene: ACE
UniProt: P12821 (ACE_HUMAN)
Organism: Homo sapiens
Activity: Ki = 4.07
Assay: Inhibition of ACE (unknown origin) assessed as 3-Hydroxybutyril-glycil-glycil-glycine conversion to 3-hydroxybutyric acid after 60 mins by WST assay
Drug: proline
Target: Glutamate receptor ionotropic, NMDA 1 (Ion channel)
Gene: Grin1
UniProt: P35439 (NMDZ1_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 4.76
Assay: Inhibitory concentration required to inhibit [3H]strychnine binding to N-methyl-D-aspartate glutamate receptor 1
Drug: asparagine
Target: Amino acid transporter (Transporter)
Gene: Slc1a5
UniProt: Q9Z1J7 (Q9Z1J7_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 4.24
Assay: Inhibition of ASCT2 mediated [3H]-D-serine uptake in rat hippocampal astrocytes
Drug: serine
Target: Acetylcholinesterase (Enzyme)
Gene: ache
UniProt: O42275 (ACES_ELEEL)
Organism: Electrophorus electricus
Activity: IC50 = 7.82
Drug: serine
Target: Cholinesterase (Enzyme)
Gene: BCHE
UniProt: P81908 (CHLE_HORSE)
Organism: Equus caballus
Activity: IC50 = 7.8
Drug: serine
Target: Gamma-glutamyltranspeptidase 1 (Enzyme)
Gene: Ggt1
UniProt: P07314 (GGT1_RAT)
Organism: Rattus norvegicus
Activity: Ki = 4.3
Assay: Inhibition of Rattus norvegicus Wistar (rat) rat Gamma-glutamyltranspeptidase using L-gamma-glutamyl-p-nitroanilide as substrate incubated for 15 min prior to substrate addition by spectrophotometric analysis
Drug: serine
Target: Asc-type amino acid transporter 1 (Unclassified)
Gene: Slc7a10
UniProt: P63116 (AAA1_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 5.02
Assay: Inhibition of asc-1 mediated [3H]-D-serine uptake in P2 fraction of rat forebrain synaptosomes after 4 mins by beta scintillation counting
Drug: serine
Target: Amino acid transporter (Transporter)
Gene: Slc1a5
UniProt: Q9Z1J7 (Q9Z1J7_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 4.24
Assay: Inhibition of ASCT2 mediated [3H]-D-serine uptake in rat hippocampal astrocytes
Drug: valine
Target: Large neutral amino acids transporter small subunit 1 (Transporter)
Gene: SLC7A5
UniProt: Q01650 (LAT1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.17
Assay: Cis-inhibition of human LAT1 expressed in TREx HEK293 cells at 200 uM assessed as inhibition of [3H]-gabapentin uptake preincubated for 3 mins at 37 degC followed by washing with choline buffer and measured after 3 hrs by scintillation counting analysis relative to BCH
Drug: pyridoxal
Target: Aldehyde oxidase (Enzyme)
Gene: AOX1
UniProt: Q06278 (AOXA_HUMAN)
Organism: Homo sapiens
Activity: Ki = 4.52
Assay: Tested for its ability to inhibit rabbit liver aldehyde oxidase catalyzed oxidation of N-methyl-nicotinamide (NMN)
Drug: lisdexamfetamine
Target: Sodium-dependent noradrenaline transporter (Transporter)
Gene: SLC6A2
UniProt: P23975 (SC6A2_HUMAN)
Organism: Homo sapiens
Action type: RELEASING AGENT
Assay: Mechanism of Action; CHEMBL222; SINGLE PROTEIN
Drug: lisdexamfetamine
Target: Sodium-dependent dopamine transporter (Transporter)
Gene: SLC6A3
UniProt: Q01959 (SC6A3_HUMAN)
Organism: Homo sapiens
Action type: RELEASING AGENT
Drug: lisdexamfetamine
Target: Synaptic vesicular amine transporter (Transporter)
Gene: SLC18A2
UniProt: Q05940 (VMAT2_HUMAN)
Organism: Homo sapiens
Action type: INHIBITOR
Assay: Mechanism of Action; CHEMBL1893; SINGLE PROTEIN
Drug: paliperidone
Target: Beta-1 adrenergic receptor (GPCR)
Gene: ADRB1
UniProt: P08588 (ADRB1_HUMAN)
Organism: Homo sapiens
Activity: Ki  5.301
Drug: paliperidone
Target: Beta-2 adrenergic receptor (GPCR)
Gene: ADRB2
UniProt: P07550 (ADRB2_HUMAN)
Organism: Homo sapiens
Activity: Ki  5.301
Drug: paliperidone
Target: D(1A) dopamine receptor (GPCR)
Gene: DRD1
UniProt: P21728 (DRD1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.387
Drug: paliperidone
Target: Alpha-2A adrenergic receptor (GPCR)
Gene: ADRA2A
UniProt: P08913 (ADA2A_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.925
Drug: paliperidone
Target: Potassium voltage-gated channel subfamily H member 2 (Ion channel)
Gene: KCNH2
UniProt: Q12809 (KCNH2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.89
Assay: Inhibition of human ERG channel
Drug: paliperidone
Target: Sodium-dependent serotonin transporter (Transporter)
Gene: SLC6A4
UniProt: P31645 (SC6A4_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.43
Drug: paliperidone
Target: 5-hydroxytryptamine receptor 1A (GPCR)
Gene: HTR1A
UniProt: P08908 (5HT1A_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.218
Drug: paliperidone
Target: 5-hydroxytryptamine receptor 2B (GPCR)
Gene: HTR2B
UniProt: P41595 (5HT2B_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.209
Drug: paliperidone
Target: 5-hydroxytryptamine receptor 2C (GPCR)
Gene: HTR2C
UniProt: P28335 (5HT2C_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.319
Drug: paliperidone
Target: 5-hydroxytryptamine receptor 6 (GPCR)
Gene: HTR6
UniProt: P50406 (5HT6R_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.617
Drug: paliperidone
Target: 5-hydroxytryptamine receptor 7 (GPCR)
Gene: HTR7
UniProt: P34969 (5HT7R_HUMAN)
Organism: Homo sapiens
Activity: Ki = 8.569
Drug: paliperidone
Target: Alpha-1A adrenergic receptor (GPCR)
Gene: ADRA1A
UniProt: P35348 (ADA1A_HUMAN)
Organism: Homo sapiens
Activity: Ki = 8.553
Drug: paliperidone
Target: Alpha-2B adrenergic receptor (GPCR)
Gene: ADRA2B
UniProt: P18089 (ADA2B_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.635
Drug: paliperidone
Target: D(3) dopamine receptor (GPCR)
Gene: DRD3
UniProt: P35462 (DRD3_HUMAN)
Organism: Homo sapiens
Activity: Ki = 9.046
Drug: paliperidone
Target: D(1B) dopamine receptor (GPCR)
Gene: DRD5
UniProt: P21918 (DRD5_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.538
Drug: paliperidone
Target: Histamine H1 receptor (GPCR)
Gene: HRH1
UniProt: P35367 (HRH1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 8.251
Drug: paliperidone
Target: Histamine H2 receptor (GPCR)
Gene: HRH2
UniProt: P25021 (HRH2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.916
Drug: paliperidone
Target: Histamine H4 receptor (GPCR)
Gene: HRH4
UniProt: Q9H3N8 (HRH4_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.061
Drug: paliperidone
Target: 5-hydroxytryptamine receptor 1B (GPCR)
Gene: HTR1B
UniProt: P28222 (5HT1B_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.638
Drug: paliperidone
Target: 5-hydroxytryptamine receptor 1D (GPCR)
Gene: HTR1D
UniProt: P28221 (5HT1D_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.721
Drug: paliperidone
Target: Alpha-2C adrenergic receptor (GPCR)
Gene: ADRA2C
UniProt: P18825 (ADA2C_HUMAN)
Organism: Homo sapiens
Activity: Ki = 8.195
Drug: paliperidone
Target: D(4) dopamine receptor (GPCR)
Gene: DRD4
UniProt: P21917 (DRD4_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.265
Drug: paliperidone
Target: Alpha-1B adrenergic receptor (GPCR)
Gene: ADRA1B
UniProt: P35368 (ADA1B_HUMAN)
Organism: Homo sapiens
Activity: Ki = 9.155
Drug: paliperidone
Target: 5-hydroxytryptamine receptor 5A (GPCR)
Gene: HTR5A
UniProt: P47898 (5HT5A_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.556
Drug: paliperidone
Target: 5-hydroxytryptamine receptor 1E (GPCR)
Gene: HTR1E
UniProt: P28566 (5HT1E_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.991