AIM-Harvard/TrialPanorama-filtered huggingface dataset:
Drug: disulfiram
Target: D(2) dopamine receptor (GPCR)
Gene: DRD2
UniProt: P14416 (DRD2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.115
Assay: DRUGMATRIX: Dopamine D2L radioligand binding (ligand: [3H] Spiperone)
Drug: disulfiram
Target: Alpha-2A adrenergic receptor (GPCR)
Gene: ADRA2A
UniProt: P08913 (ADA2A_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.735
Assay: DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)
Drug: disulfiram
Target: Sodium-dependent noradrenaline transporter (Transporter)
Gene: SLC6A2
UniProt: P23975 (SC6A2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 4.156
Assay: DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)
Drug: disulfiram
Target: 5-hydroxytryptamine receptor 2B (GPCR)
Gene: HTR2B
UniProt: P41595 (5HT2B_HUMAN)
Organism: Homo sapiens
Activity: Ki = 4.658
Assay: DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)
Drug: disulfiram
Target: 5-hydroxytryptamine receptor 6 (GPCR)
Gene: HTR6
UniProt: P50406 (5HT6R_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.129
Assay: DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT6 radioligand binding (ligand: [3H] Lysergic acid diethylamide)
Drug: disulfiram
Target: Alpha-2B adrenergic receptor (GPCR)
Gene: ADRA2B
UniProt: P18089 (ADA2B_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.833
Assay: DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)
Drug: disulfiram
Target: D(3) dopamine receptor (GPCR)
Gene: DRD3
UniProt: P35462 (DRD3_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.434
Assay: DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)
Drug: disulfiram
Target: Sodium-dependent dopamine transporter (Transporter)
Gene: SLC6A3
UniProt: Q01959 (SC6A3_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.434
Assay: DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)
Drug: disulfiram
Target: Adenosine receptor A3 (GPCR)
Gene: ADORA3
UniProt: P0DMS8 (AA3R_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.697
Assay: DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA)
Drug: disulfiram
Target: D(4) dopamine receptor (GPCR)
Gene: DRD4
UniProt: P21917 (DRD4_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.957
Assay: DRUGMATRIX: Dopamine D4.2 radioligand binding (ligand: [3H] Spiperone)
Drug: disulfiram
Target: Kappa-type opioid receptor (GPCR)
Gene: OPRK1
UniProt: P41145 (OPRK_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.612
Assay: DRUGMATRIX: Opiate kappa (OP2, KOP) radioligand binding (ligand: [3H] Diprenorphine)
Drug: disulfiram
Target: Cytochrome P450 1A2 (Enzyme)
Gene: CYP1A2
UniProt: P05177 (CP1A2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.398
Assay: DRUGMATRIX: CYP450, 1A2 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)
Drug: disulfiram
Target: Amine oxidase [flavin-containing] A (Enzyme)
Gene: MAOA
UniProt: P21397 (AOFA_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.862
Assay: DRUGMATRIX: Monoamine Oxidase MAO-A enzyme inhibition (substrate: Kynuramine)
Drug: disulfiram
Target: Aldehyde dehydrogenase, mitochondrial (Enzyme)
Gene: ALDH2
UniProt: P05091 (ALDH2_HUMAN)
Organism: Homo sapiens
Action type: INHIBITOR
Drug: disulfiram
Target: cAMP-specific 3',5'-cyclic phosphodiesterase 4A (Enzyme)
Gene: PDE4A
UniProt: P27815 (PDE4A_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.319
Assay: DRUGMATRIX: Phosphodiesterase PDE4 enzyme inhibition (substrate: [3H]cAMP + cAMP)
Drug: disulfiram
Target: C-C chemokine receptor type 5 (GPCR)
Gene: CCR5
UniProt: P51681 (CCR5_HUMAN)
Organism: Homo sapiens
Activity: Ki = 4.738
Assay: DRUGMATRIX: Chemokine CCR5 radioligand binding (ligand: [125I] MIP-1alpha)
Drug: disulfiram
Target: C-X-C chemokine receptor type 2 (GPCR)
Gene: CXCR2
UniProt: P25025 (CXCR2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.376
Assay: DRUGMATRIX: Chemokine CXCR2 (IL-8B) radioligand binding (ligand: [125I] IL-8)
Drug: disulfiram
Target: C-C chemokine receptor type 2 (GPCR)
Gene: CCR2
UniProt: P41597 (CCR2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.02
Assay: DRUGMATRIX: Chemokine CCR2B  radioligand binding (ligand: [125I] MCP-1)
Drug: disulfiram
Target: Mitogen-activated protein kinase 3 (Kinase)
Gene: MAPK3
UniProt: P27361 (MK03_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.821
Assay: DRUGMATRIX: Protein Serine/Threonine Kinase, ERK1 enzyme inhibition (substrate: Myelin Basic Protein)
Drug: disulfiram
Target: Arachidonate 15-lipoxygenase (Enzyme)
Gene: ALOX15
UniProt: P12530 (LOX15_RABIT)
Organism: Oryctolagus cuniculus
Activity: IC50 = 4.794
Assay: DRUGMATRIX: Lipoxygenase 15-LO enzyme inhibition (substrate: Linoleic acid)
Drug: disulfiram
Target: 5-hydroxytryptamine receptor 1B (GPCR)
Gene: Htr1b
UniProt: P28564 (5HT1B_RAT)
Organism: Rattus norvegicus
Activity: Ki = 5.669
Assay: DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1B radioligand binding (ligand: [125I] Cyanopindolol)
Drug: disulfiram
Target: C-C chemokine receptor type 4 (GPCR)
Gene: CCR4
UniProt: P51679 (CCR4_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.357
Assay: DRUGMATRIX: Chemokine CCR4 radioligand binding (ligand: [125I] TARC)
Drug: disulfiram
Target: Membrane-associated progesterone receptor component 1 (Membrane receptor)
Gene: Pgrmc1
UniProt: P70580 (PGRC1_RAT)
Organism: Rattus norvegicus
Activity: Ki = 4.333
Assay: DRUGMATRIX: Sigma2 radioligand binding (ligand: [3H] Ifenprodil)
Drug: disulfiram
Target: Aldehyde dehydrogenase, mitochondrial (Enzyme)
Gene: Aldh2
UniProt: P11884 (ALDH2_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 4.4
Assay: Inhibition of recombinant rat ALDH activity in liver mitochondria
Drug: disulfiram
Target: Monoglyceride lipase (Enzyme)
Gene: MGLL
UniProt: Q99685 (MGLL_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.9
Assay: Inhibition of human MGL activity using [3H]2-oleoylglycerol substrate by liquid scintillation counting
Drug: disulfiram
Target: Bifunctional protein GlmU (Enzyme)
Gene: glmU
UniProt: P9WMN3 (GLMU_MYCTU)
Organism: Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Activity: IC50 = 4.07
Assay: Active
Drug: disulfiram
Target: Protein-lysine 6-oxidase (Enzyme)
Gene: LOX
UniProt: P28300 (LYOX_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.5
Assay: Inhibition of recombinant human LOX expressed in HEK293 cells using diaminopentane as substrate preincubated for 30 mins followed by substrate addition measured after 1 hr by fluorimetric method
Drug: disulfiram
Target: Lysine-specific demethylase 5A (Enzyme)
Gene: KDM5A
UniProt: P29375 (KDM5A_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5
Assay: Inhibition of JARID1A PHD finger domain (unknown origin)
Drug: disulfiram
Target: Lysyl oxidase homolog 3 (Enzyme)
Gene: LOXL3
UniProt: P58215 (LOXL3_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.03
Assay: Inhibition of recombinant human LOXL3 expressed in CHO cells using diaminopentane as substrate preincubated for 30 mins followed by substrate addition measured after 1 hr by fluorimetric method
Drug: disulfiram
Target: Lysyl oxidase homolog 4 (Enzyme)
Gene: LOXL4
UniProt: Q96JB6 (LOXL4_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.23
Assay: Inhibition of recombinant human LOXL4 expressed in baculovirus infected insect cells using diaminopentane as substrate preincubated for 30 mins followed by substrate addition measured after 1 hr by fluorimetric method
Drug: disulfiram
Target: Histone-lysine N-methyltransferase EHMT2 (Enzyme)
Gene: EHMT2
UniProt: Q96KQ7 (EHMT2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.22
Assay: Inhibition of wild type recombinant human histone lysine methyltransferase G9a (913 to 1193 residues) expressed in Escherichia coli Rosetta BL21 DE3 PlysS using ARTKQTARKSTGGKA as substrate preincubated for 5 mins followed by substrate/SAM addition measured after 60 mins by MALDI-TOF MS analysis
Drug: disulfiram
Target: Histone-lysine N-methyltransferase EHMT1 (Enzyme)
Gene: EHMT1
UniProt: Q9H9B1 (EHMT1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.8
Assay: Inhibition of wild type recombinant human histone lysine methyltransferase GLP (951 to 1235 residues) expressed in Escherichia coli Rosetta BL21 DE3 PlysS using ARTKQTARKSTGGKA as substrate preincubated for 5 mins followed by substrate/SAM addition measured after 60 mins by MALDI-TOF MS analysis
Drug: disulfiram
Target: Lysyl oxidase homolog 2 (Enzyme)
Gene: LOXL2
UniProt: Q9Y4K0 (LOXL2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.82
Assay: Inhibition of recombinant LOXL2 (unknown origin) expressed in NS0 cells using diaminopentane as substrate preincubated for 30 mins followed by substrate addition measured after 1 hr by fluorimetric method
Drug: disulfiram
Target: Gasdermin-D (Unclassified)
Gene: GSDMD
UniProt: P57764 (GSDMD_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.4
Assay: Inhibition of GSDMD in human monocyte/macrophages assessed as inhibition of pyroptosis in presence of Cu2+
Drug: ditiocarb
Target: Carbonic anhydrase 2, isoform A; LD26647p (Enzyme)
Gene: CAH2
UniProt: Q9VTU8 (Q9VTU8_DROME)
Organism: Drosophila melanogaster
Activity: Ki = 6.18
Assay: Inhibition of Drosophila melanogaster recombinant carbonic anhydrase-2 expressed in Escherichia coli BL21 (DE3) preincubated for 15 mins by CO2 hydration stopped-flow assay
Drug: ditiocarb
Target: Carbonic anhydrase 1; GH09688p (Enzyme)
Gene: CAH1
UniProt: Q9V396 (Q9V396_DROME)
Organism: Drosophila melanogaster
Activity: Ki = 5.63
Assay: Inhibition of Drosophila melanogaster recombinant carbonic anhydrase-1 expressed in Escherichia coli BL21 (DE3) preincubated for 15 mins by CO2 hydration stopped-flow assay
Drug: ditiocarb
Target: Carbonic anhydrase 2 (Enzyme)
Gene: CA2
UniProt: P00918 (CAH2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.51
Assay: Inhibition of human recombinant carbonic anhydrase 2-catalyzed CO2 hydration by stopped flow assay
Drug: ditiocarb
Target: Carbonic anhydrase 1 (Enzyme)
Gene: CA1
UniProt: P00915 (CAH1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.1
Assay: Inhibition of human recombinant carbonic anhydrase 1-catalyzed CO2 hydration by stopped flow assay
Drug: ditiocarb
Target: Carbonic anhydrase 4 (Enzyme)
Gene: CA4
UniProt: P22748 (CAH4_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.19
Assay: Inhibition of human recombinant carbonic anhydrase 4-catalyzed CO2 hydration by stopped flow assay
Drug: ditiocarb
Target: Carbonic anhydrase 9 (Enzyme)
Gene: CA9
UniProt: Q16790 (CAH9_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.85
Assay: Inhibition of human CA9 pre-incubated for 15 mins by stopped-flow CO2 hydration method
Drug: ditiocarb
Target: Carbonic anhydrase 12 (Enzyme)
Gene: CA12
UniProt: O43570 (CAH12_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.96
Assay: Inhibition of human CA12 pre-incubated for 15 mins by stopped-flow CO2 hydration method
Drug: ditiocarb
Target: Cytochrome P450 2E1 (Enzyme)
Gene: CYP2E1
UniProt: P05181 (CP2E1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.07
Assay: Fluorescent High Throughput P450 Assays: The interaction of SC12 with cytochrome P450 enzymes was tested using Fluorescent High Throughput P450 assays (Gentest) The IC50s of the compounds was calculated on isoenzymes (CYP1A2, CYP2C9, CYP2C19, CYP2C8, CYP2B6, CYP2D6, CYP2E1, CYP3A4 and CYP3A5).Materials and Methods: Inhibition of the P450 isoforms was measured in specific assays using specific substrates that become fluorescent upon CYP metabolism. Compounds, dissolved in ACN (acetonitrile) (CYP2E1, CYP2C8, CYP2B6, CYP3A5) or DMSO (all remaining isoforms), were tested in duplicate (n=2) in concentration-response curves (eight concentrations) in a 96-well plate containing incubation/NADPH regenerating buffer. Specific isoenzymes and substrates were added and incubated at 37° C. Reactions were terminated at different times, depending on the assays, and plates read on a Fluoroskan Ascent at the appropriate emission/excitation wavelengths.
Drug: ditiocarb
Target: Carbonic anhydrase 13 (Enzyme)
Gene: Ca13
UniProt: Q9D6N1 (CAH13_MOUSE)
Organism: Mus musculus
Activity: Ki = 4.25
Assay: Inhibition of mouse recombinant carbonic anhydrase 13-catalyzed CO2 hydration by stopped flow assay
Drug: ditiocarb
Target: Histone-lysine N-methyltransferase EHMT2 (Enzyme)
Gene: EHMT2
UniProt: Q96KQ7 (EHMT2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.04
Assay: Inhibition of wild type recombinant human histone lysine methyltransferase G9a (913 to 1193 residues) expressed in Escherichia coli Rosetta BL21 DE3 PlysS using ARTKQTARKSTGGKA as substrate preincubated for 5 mins followed by substrate/SAM addition measured after 60 mins by MALDI-TOF MS analysis
Drug: ditiocarb
Target: Histone-lysine N-methyltransferase EHMT1 (Enzyme)
Gene: EHMT1
UniProt: Q9H9B1 (EHMT1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.09
Assay: Inhibition of wild type recombinant human histone lysine methyltransferase GLP (951 to 1235 residues) expressed in Escherichia coli Rosetta BL21 DE3 PlysS using ARTKQTARKSTGGKA as substrate preincubated for 5 mins followed by substrate/SAM addition measured after 60 mins by MALDI-TOF MS analysis
Drug: ditiocarb
Target: Gasdermin-D (Unclassified)
Gene: GSDMD
UniProt: P57764 (GSDMD_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.4
Assay: Inhibition of GSDMD in human monocyte/macrophages assessed as inhibition of pyroptosis in presence of Cu2+
Drug: levomenthol
Target: Transient receptor potential cation channel subfamily A member 1 (Ion channel)
Gene: TRPA1
UniProt: O75762 (TRPA1_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 4.5
Action type: ACTIVATOR
Assay: Calcium imaging, patch clamp
Drug: levomenthol
Target: Transient receptor potential cation channel subfamily M member 8 (Ion channel)
Gene: Trpm8
UniProt: Q8R4D5 (TRPM8_MOUSE)
Organism: Mus musculus
Activity: EC50 = 5.4
Action type: ACTIVATOR
Drug: levomenthol
Target: Transient receptor potential cation channel subfamily M member 8 (Ion channel)
Gene: Trpm8
UniProt: Q8R455 (TRPM8_RAT)
Organism: Rattus norvegicus
Activity: EC50 = 4.2
Action type: ACTIVATOR
Drug: levomenthol
Target: Transient receptor potential cation channel subfamily A member 1 (Ion channel)
Gene: Trpa1
UniProt: Q8BLA8 (TRPA1_MOUSE)
Organism: Mus musculus
Activity: IC50 = 4.2
Action type: GATING INHIBITOR
Drug: levomenthol
Target: Transient receptor potential cation channel subfamily M member 8 (Ion channel)
Gene: TRPM8
UniProt: Q7Z2W7 (TRPM8_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 4.6
Action type: ACTIVATOR
Drug: dobutamine
Target: Beta-1 adrenergic receptor (GPCR)
Gene: ADRB1
UniProt: P08588 (ADRB1_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 5.5
Action type: AGONIST
Drug: dobutamine
Target: Beta-2 adrenergic receptor (GPCR)
Gene: ADRB2
UniProt: P07550 (ADRB2_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 6.2
Action type: AGONIST
Drug: dobutamine
Target: Sigma non-opioid intracellular receptor 1 (Membrane receptor)
Gene: SIGMAR1
UniProt: Q99720 (SGMR1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.976
Assay: DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol)
Drug: dobutamine
Target: Sodium-dependent serotonin transporter (Transporter)
Gene: SLC6A4
UniProt: P31645 (SC6A4_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.997
Assay: DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)
Drug: dobutamine
Target: Sodium-dependent noradrenaline transporter (Transporter)
Gene: SLC6A2
UniProt: P23975 (SC6A2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.42
Assay: DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)
Drug: dobutamine
Target: Alpha-2B adrenergic receptor (GPCR)
Gene: ADRA2B
UniProt: P18089 (ADA2B_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.868
Assay: DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)
Drug: dobutamine
Target: D(3) dopamine receptor (GPCR)
Gene: DRD3
UniProt: P35462 (DRD3_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.771
Assay: DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)
Drug: dobutamine
Target: Sodium-dependent dopamine transporter (Transporter)
Gene: SLC6A3
UniProt: Q01959 (SC6A3_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.91
Assay: DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)
Drug: dobutamine
Target: Carbonic anhydrase 2 (Enzyme)
Gene: CA2
UniProt: P00918 (CAH2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.32
Assay: Inhibition of human carbonic anhydrase 2 after 15 mins by stopped flow CO2 hydration method
Drug: dobutamine
Target: Alpha-1D adrenergic receptor (GPCR)
Gene: ADRA1D
UniProt: P25100 (ADA1D_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.347
Assay: DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)
Drug: dobutamine
Target: Carbonic anhydrase 1 (Enzyme)
Gene: CA1
UniProt: P00915 (CAH1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.72
Assay: Inhibition of human carbonic anhydrase 1 after 15 mins by stopped flow CO2 hydration method
Drug: dobutamine
Target: Carbonic anhydrase 4 (Enzyme)
Gene: CA4
UniProt: P22748 (CAH4_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.05
Assay: Inhibition of human carbonic anhydrase 4 after 15 mins by stopped flow CO2 hydration method
Drug: dobutamine
Target: Carbonic anhydrase 9 (Enzyme)
Gene: CA9
UniProt: Q16790 (CAH9_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.01
Assay: Inhibition of human carbonic anhydrase 9 after 15 mins by stopped flow CO2 hydration method
Drug: dobutamine
Target: Carbonic anhydrase 12 (Enzyme)
Gene: CA12
UniProt: O43570 (CAH12_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.36
Assay: Inhibition of human carbonic anhydrase 12 after 15 mins by stopped flow CO2 hydration method
Drug: dobutamine
Target: Epidermal growth factor receptor (Kinase)
Gene: EGFR
UniProt: P00533 (EGFR_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.256
Assay: DRUGMATRIX: Protein Tyrosine Kinase, EGF Receptor enzyme inhibition (substrate: Poly(Glu:Tyr))
Drug: dobutamine
Target: Carbonic anhydrase 5A, mitochondrial (Enzyme)
Gene: CA5A
UniProt: P35218 (CAH5A_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.14
Assay: Inhibition of human carbonic anhydrase 5a after 15 mins by stopped flow CO2 hydration method
Drug: dobutamine
Target: Carbonic anhydrase 5B, mitochondrial (Enzyme)
Gene: CA5B
UniProt: Q9Y2D0 (CAH5B_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.05
Assay: Inhibition of human carbonic anhydrase 5b after 15 mins by stopped flow CO2 hydration method
Drug: dobutamine
Target: Carbonic anhydrase 7 (Enzyme)
Gene: CA7
UniProt: P43166 (CAH7_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.37
Assay: Inhibition of human carbonic anhydrase 7 after 15 mins by stopped flow CO2 hydration method
Drug: dobutamine
Target: Tyrosine-protein kinase Lck (Kinase)
Gene: LCK
UniProt: P06239 (LCK_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.258
Assay: DRUGMATRIX: Protein Tyrosine Kinase, LCK enzyme inhibition (substrate: Poly(Glu:Tyr))
Drug: dobutamine
Target: Tyrosine-protein kinase Fyn (Kinase)
Gene: FYN
UniProt: P06241 (FYN_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.401
Assay: DRUGMATRIX: Protein Tyrosine Kinase, Fyn enzyme inhibition (substrate: Poly(Glu:Tyr))
Drug: dobutamine
Target: Catechol O-methyltransferase (Enzyme)
Gene: COMT
UniProt: P21964 (COMT_HUMAN)
Organism: Homo sapiens
Activity: Km = 4.301
Drug: dobutamine
Target: Carbonic anhydrase 3 (Enzyme)
Gene: CA3
UniProt: P07451 (CAH3_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.13
Assay: Inhibition of human carbonic anhydrase 3 after 15 mins by stopped flow CO2 hydration method
Drug: dobutamine
Target: Carbonic anhydrase 6 (Enzyme)
Gene: CA6
UniProt: P23280 (CAH6_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.02
Assay: Inhibition of human carbonic anhydrase 6 after 15 mins by stopped flow CO2 hydration method
Drug: dobutamine
Target: Carbonic anhydrase 14 (Enzyme)
Gene: CA14
UniProt: Q9ULX7 (CAH14_HUMAN)
Organism: Homo sapiens
Activity: Ki = 4.92
Assay: Inhibition of human carbonic anhydrase 14 after 15 mins by stopped flow CO2 hydration method
Drug: dobutamine
Target: Solute carrier family 22 member 1 (Transporter)
Gene: SLC22A1
UniProt: O15245 (S22A1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.38
Assay: Inhibition of human OCT1 expressed in HEK293 cells assessed as decrease in uptake of ASP+ after 2 mins by fluorescence assay
Drug: dobutamine
Target: Arachidonate 15-lipoxygenase (Enzyme)
Gene: ALOX15
UniProt: P12530 (LOX15_RABIT)
Organism: Oryctolagus cuniculus
Activity: IC50 = 6.223
Assay: DRUGMATRIX: Lipoxygenase 15-LO enzyme inhibition (substrate: Linoleic acid)
Drug: dobutamine
Target: Alpha-1B adrenergic receptor (GPCR)
Gene: Adra1b
UniProt: P15823 (ADA1B_RAT)
Organism: Rattus norvegicus
Activity: Ki = 6.73
Assay: DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)
Drug: dobutamine
Target: Membrane-associated progesterone receptor component 1 (Membrane receptor)
Gene: Pgrmc1
UniProt: P70580 (PGRC1_RAT)
Organism: Rattus norvegicus
Activity: Ki = 5.796
Assay: DRUGMATRIX: Sigma2 radioligand binding (ligand: [3H] Ifenprodil)
Drug: dobutamine
Target: Alpha-1A adrenergic receptor (GPCR)
Gene: Adra1a
UniProt: P43140 (ADA1A_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 6.96
Drug: dobutamine
Target: Carbonic anhydrase 13 (Enzyme)
Gene: CA13
UniProt: Q8N1Q1 (CAH13_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.02
Assay: Inhibition of human carbonic anhydrase 13 after 15 mins by stopped flow CO2 hydration method
Drug: dobutamine
Target: Carbonic anhydrase 15 (Enzyme)
Gene: Ca15
UniProt: Q99N23 (CAH15_MOUSE)
Organism: Mus musculus
Activity: Ki = 6.41
Assay: Inhibition of mouse carbonic anhydrase 15 after 15 mins by stopped flow CO2 hydration method
Drug: docetaxel
Target: Cytochrome P450 3A4 (Enzyme)
Gene: CYP3A4
UniProt: P08684 (CP3A4_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.699
Assay: DRUGMATRIX: CYP450, 3A4 enzyme inhibition (substrate: 7-Benzyloxy-4-(trifluoromethyl)-coumarin)
Drug: docetaxel
Target: Multidrug resistance protein 1 (Transporter)
Gene: ABCB1
UniProt: P08183 (MDR1_HUMAN)
Organism: Homo sapiens
Drug: docetaxel
Target: Multidrug resistance-associated protein 7 (Transporter)
Gene: ABCC10
UniProt: Q5T3U5 (MRP7_HUMAN)
Organism: Homo sapiens
Drug: docetaxel
Target: Epidermal growth factor receptor (Kinase)
Gene: EGFR
UniProt: P00533 (EGFR_HUMAN)
Organism: Homo sapiens
Activity: Kd = 9.086
Action type: INHIBITOR
Drug: docetaxel
Target: Substance-K receptor (GPCR)
Gene: TACR2
UniProt: P21452 (NK2R_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.283
Assay: DRUGMATRIX: Tachykinin NK2  radioligand binding (ligand: [3H] SR-48968)
Drug: docetaxel
Target: Growth hormone-releasing hormone receptor (GPCR)
Gene: GHRHR
UniProt: Q02643 (GHRHR_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 9.85
Assay: Displacement of [125I]JV1-42 from GHRH receptor expressed in human MX1 cells
Drug: docetaxel
Target: Tubulin beta (Tumour-associated antigen)
Gene: TUBB|TUBB1|TUBB2A|TUBB2B|TUBB3|TUBB4A|TUBB4B|TUBB6|TUBB8
UniProt: P07437|Q9H4B7|Q13885|Q9BVA1|Q13509|P04350|P68371|Q9BUF5|Q3ZCM7 (TBB5_HUMAN|TBB1_HUMAN|TBB2A_HUMAN|TBB2B_HUMAN|TBB3_HUMAN|TBB4A_HUMAN|TBB4B_HUMAN|TBB6_HUMAN|TBB8_HUMAN)
Organism: Homo sapiens
Activity: ID50 = 6.699
Action type: INHIBITOR
Drug: docetaxel
Target: Nucleotide-binding oligomerization domain-containing protein 2 (Cytosolic other)
Gene: NOD2
UniProt: Q9HC29 (NOD2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.3
Assay: Inhibition of MDP-induced human NOD2 signaling expressed in HEK-Blue cells preincubated for 3 hrs followed by MDP-stimulation for 20 hrs by spectrophotometry based SEAP reporter gene assay
Drug: docosanol
Target: Envelope glycoprotein (Membrane other)
Gene: gN|gM|gE|gH|gJ|gG|gI|gL|gB|gC|gK|gD
UniProt: O09800|P04288|P04488|P06477|P06480|P06484|P06487|P10185|P10211|P10228|P68331|Q69091 (GN_HHV11|GM_HHV11|GE_HHV11|GH_HHV11|GJ_HHV11|GG_HHV11|GI_HHV11|GL_HHV11|GB_HHV11|GC_HHV11|GK_HHV11|GD_HHV11)
Organism: Human herpesvirus 1 (strain 17)
Action type: INHIBITOR
Assay: Mechanism of Action; CHEMBL2364696; PROTEIN FAMILY
Drug: dofetilide
Target: Potassium voltage-gated channel subfamily H member 2 (Ion channel)
Gene: KCNH2
UniProt: Q12809 (KCNH2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 8.19
Action type: BLOCKER
Assay: Displacement of [3H]dofetilide from hERG expressed in HEK293 cells by SPA
Drug: dofetilide
Target: Potassium channel subfamily K member 2 (Ion channel)
Gene: KCNK2
UniProt: O95069 (KCNK2_HUMAN)
Organism: Homo sapiens