AIM-Harvard/TrialPanorama-filtered huggingface dataset:
Drug: indomethacin
Target: Prostaglandin G/H synthase 1 (Enzyme)
Gene: PTGS1
UniProt: P05979 (PGH1_SHEEP)
Organism: Ovis aries
Activity: Ki = 5.1
Assay: Inhibition of ovine COX1 pre-incubated before addition of [1-14C]arachidonic acid
Drug: indomethacin
Target: Prostaglandin-H2 D-isomerase (Enzyme)
Gene: Ptgds
UniProt: O09114 (PTGDS_MOUSE)
Organism: Mus musculus
Activity: IC50 = 6.3
Assay: Concentration required to inhibit 50% activity of prostaglandin synthetase was determined in vitro in mouse brain microsomes
Drug: indomethacin
Target: Prostaglandin G/H synthase 2 (Enzyme)
Gene: Ptgs2
UniProt: P35355 (PGH2_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 8
Assay: Inhibition of Prostaglandin G/H synthase 2
Drug: indomethacin
Target: Prostaglandin G/H synthase 1 (Enzyme)
Gene: Ptgs1
UniProt: Q63921 (PGH1_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 8.22
Assay: Inhibition of Prostaglandin G/H synthase 1 using whole cell assay
Drug: indomethacin
Target: Prostaglandin G/H synthase 2 (Enzyme)
Gene: PTGS2
UniProt: P79208 (PGH2_SHEEP)
Organism: Ovis aries
Activity: IC50 = 6.47
Assay: Inhibition of ovine COX2
Drug: indomethacin
Target: Prostaglandin G/H synthase 1 (Enzyme)
Gene: PTGS1
UniProt: O62664 (PGH1_BOVIN)
Organism: Bos taurus
Activity: IC50 = 8.39
Assay: Inhibition of bovine COX1 assessed as inhibition of calcium ionophore A23187-induced 12-hydroxyheptadecatrienoic acid formation by reverse-phase HPLC analysis
Drug: indomethacin
Target: Cyclooxygenase (Enzyme)
Gene: PTGS1|PTGS2
UniProt: O62664|O62698 (PGH1_BOVIN|PGH2_BOVIN)
Organism: Bos taurus
Activity: IC50 = 6.37
Assay: Inhibitory activity against Prostaglandin G/H synthase (bovine seminal vesicles)
Drug: indomethacin
Target: Cyclooxygenase (Enzyme)
Gene: Ptgs2|Ptgs1
UniProt: P35355|Q63921 (PGH2_RAT|PGH1_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 7
Assay: In vitro inhibitory activity against polymorphonuclear leukocyte Prostaglandin G/H synthase
Drug: indomethacin
Target: Prostaglandin G/H synthase (cyclooxygenase) (Enzyme)
Gene: PTGS1|PTGS2
UniProt: P05979|P79208 (PGH1_SHEEP|PGH2_SHEEP)
Organism: Ovis aries
Activity: IC50 = 6.82
Assay: Inhibition of ram seminal vesicle Cyclooxygenase
Drug: indomethacin
Target: Nitric oxide synthase, inducible (Enzyme)
Gene: Nos2
UniProt: P29477 (NOS2_MOUSE)
Organism: Mus musculus
Activity: IC50 = 4.7
Assay: Inhibition of iNOS in mouse RAW264.7 cells assessed as inhibition of LPS-induced nitric oxide production for 2 hrs by DAF-FMDA dye based fluorometric assay
Drug: indomethacin
Target: Prostaglandin E synthase (Enzyme)
Gene: PTGES
UniProt: O14684 (PTGES_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.39
Assay: Inhibition of mPGES-1 in human IL-1beta-stimulated A549 cell microsomes assessed as inhibition of PGE2 formation from PGH2 after 15 mins by RP-HPLC analysis
Drug: indomethacin
Target: Aldo-keto reductase family 1 member C4 (Enzyme)
Gene: AKR1C4
UniProt: P17516 (AK1C4_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.27
Assay: Inhibition of human recombinant GST-tagged AKR1C4 expressed in Escherichia coli using S-tetralol as substrate by fluorometry
Drug: indomethacin
Target: Prostaglandin D2 receptor 2 (GPCR)
Gene: Ptgdr2
UniProt: Q9Z2J6 (PD2R2_MOUSE)
Organism: Mus musculus
Activity: Ki = 6
Action type: AGONIST
Drug: indomethacin
Target: Nicotinate phosphoribosyltransferase (Enzyme)
Gene: NAPRT
UniProt: Q6XQN6 (PNCB_HUMAN)
Organism: Homo sapiens
Activity: Ki = 9.82
Assay: Inhibition of NAPRT (unknown origin)
Drug: indoprofen
Target: Fatty acid-binding protein, liver (Unclassified)
Gene: Fabp1
UniProt: P02692 (FABPL_RAT)
Organism: Rattus norvegicus
Activity: Ki = 5.9
Assay: Displacement of 1-anilinonaphthalene-8-sulphonic acid from rat recombinant L-FABP high binding affinity site expressed in Escherichia coli BL21 by competitive fluorescence displacement assay
Drug: indoprofen
Target: Luciferin 4-monooxygenase (Unclassified)
UniProt: P08659 (LUCI_PHOPY)
Organism: Photinus pyralis
Activity: IC50 = 6.7
Assay: Inhibition of Photinus pyralis luciferase
Drug: indoramin
Target: Alpha-2A adrenergic receptor (GPCR)
Gene: ADRA2A
UniProt: P08913 (ADA2A_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.65
Assay: The compound was tested for binding affinity against Alpha-2A adrenergic receptor from human clones.
Drug: indoramin
Target: Alpha-1A adrenergic receptor (GPCR)
Gene: ADRA1A
UniProt: P35348 (ADA1A_HUMAN)
Organism: Homo sapiens
Activity: Ki = 8.43
Assay: The compound was tested for binding affinity against Alpha-1A adrenergic receptor from human clones.
Drug: indoramin
Target: Alpha-2B adrenergic receptor (GPCR)
Gene: ADRA2B
UniProt: P18089 (ADA2B_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.28
Assay: Binding affinity against Alpha-2B adrenergic receptor from human clones.
Drug: indoramin
Target: Alpha-2C adrenergic receptor (GPCR)
Gene: ADRA2C
UniProt: P18825 (ADA2C_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.32
Assay: Binding affinity against Alpha-2C adrenergic receptor from human clones.
Drug: indoramin
Target: D(4) dopamine receptor (GPCR)
Gene: DRD4
UniProt: P21917 (DRD4_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.745
Drug: indoramin
Target: Alpha-1D adrenergic receptor (GPCR)
Gene: ADRA1D
UniProt: P25100 (ADA1D_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.96
Assay: Binding affinity against Alpha-1D adrenergic receptor, from human clones.
Drug: indoramin
Target: Alpha-1B adrenergic receptor (GPCR)
Gene: ADRA1B
UniProt: P35368 (ADA1B_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.6
Assay: The compound was tested for binding affinity against Alpha-1B adrenergic receptor, from hamster clones.
Drug: indoramin
Target: Alpha-1D adrenergic receptor (GPCR)
Gene: Adra1d
UniProt: P23944 (ADA1D_RAT)
Organism: Rattus norvegicus
Activity: Ki = 6.21
Assay: Binding affinity against Alpha-1D adrenergic receptor, from rat clones.
Drug: indoramin
Target: Alpha-1A adrenergic receptor (GPCR)
Gene: ADRA1A
UniProt: P18130 (ADA1A_BOVIN)
Organism: Bos taurus
Activity: Ki = 7.92
Assay: The compound was tested for binding affinity against Alpha-1A adrenergic receptor from bovine clones.
Drug: indoramin
Target: Adrenergic receptor alpha-2 (GPCR)
Gene: Adra2b|Adra2c|Adra2a
UniProt: P19328|P22086|P22909 (ADA2B_RAT|ADA2C_RAT|ADA2A_RAT)
Organism: Rattus norvegicus
Activity: Ki = 4.92
Assay: Affinity for alpha-2 adrenergic receptor of rat cerebral cortex was determined by ligand binding using [3H]yohimbine.
Drug: indoramin
Target: Adrenergic receptor alpha-1 (GPCR)
Gene: Adra1b|Adra1d|Adra1a
UniProt: P15823|P23944|P43140 (ADA1B_RAT|ADA1D_RAT|ADA1A_RAT)
Organism: Rattus norvegicus
Activity: Ki = 7.61
Assay: Affinity for alpha-1 adrenoceptor of rat cerebral cortex was determined by ligand binding using [3H]prazosin.
Drug: intoplicine
Target: DNA topoisomerase 2-alpha (Enzyme)
Gene: TOP2A
UniProt: P11388 (TOP2A_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.82
Drug: intoplicine
Target: DNA topoisomerase I, mitochondrial (Enzyme)
Gene: TOP1MT
UniProt: Q969P6 (TOP1M_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.52
Drug: intoplicine
Target: DNA topoisomerase 1 (Enzyme)
Gene: TOP1
UniProt: P11387 (TOP1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.52
Drug: diiodohydroxyquinoline
Target: Adenosine receptor A3 (GPCR)
Gene: ADORA3
UniProt: P0DMS8 (AA3R_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.278
Assay: DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA)
Drug: diiodohydroxyquinoline
Target: Epidermal growth factor receptor (Kinase)
Gene: EGFR
UniProt: P00533 (EGFR_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.724
Assay: DRUGMATRIX: Protein Tyrosine Kinase, EGF Receptor enzyme inhibition (substrate: Poly(Glu:Tyr))
Drug: diiodohydroxyquinoline
Target: Tyrosine-protein kinase Lck (Kinase)
Gene: LCK
UniProt: P06239 (LCK_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.609
Assay: DRUGMATRIX: Protein Tyrosine Kinase, LCK enzyme inhibition (substrate: Poly(Glu:Tyr))
Drug: diiodohydroxyquinoline
Target: Tyrosine-protein kinase Fyn (Kinase)
Gene: FYN
UniProt: P06241 (FYN_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.804
Assay: DRUGMATRIX: Protein Tyrosine Kinase, Fyn enzyme inhibition (substrate: Poly(Glu:Tyr))
Drug: diiodohydroxyquinoline
Target: Receptor tyrosine-protein kinase erbB-2 (Kinase)
Gene: ERBB2
UniProt: P04626 (ERBB2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.067
Assay: DRUGMATRIX: Protein Tyrosine Kinase, ERBB2 (HER2) enzyme inhibition (substrate: Poly(Glu:Tyr))
Drug: diiodohydroxyquinoline
Target: Mitogen-activated protein kinase 3 (Kinase)
Gene: MAPK3
UniProt: P27361 (MK03_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.279
Assay: DRUGMATRIX: Protein Serine/Threonine Kinase, ERK1 enzyme inhibition (substrate: Myelin Basic Protein)
Drug: diiodohydroxyquinoline
Target: Mitogen-activated protein kinase 14 (Kinase)
Gene: MAPK14
UniProt: Q16539 (MK14_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.439
Assay: DRUGMATRIX: Protein Serine/Threonine Kinase, p38alpha enzyme inhibition (substrate: Myelin Basic Protein)
Drug: diiodohydroxyquinoline
Target: Angiotensin-converting enzyme (Enzyme)
Gene: ACE
UniProt: P12822 (ACE_RABIT)
Organism: Oryctolagus cuniculus
Activity: IC50 = 6.043
Assay: DRUGMATRIX: Peptidase, Angiotensin Converting Enzyme enzyme inhibition (substrate: FAPGG)
Drug: diiodohydroxyquinoline
Target: Mitogen-activated protein kinase 1 (Kinase)
Gene: MAPK1
UniProt: P28482 (MK01_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.532
Assay: DRUGMATRIX: Protein Serine/Threonine Kinase, ERK2 enzyme inhibition (substrate: Myelin Basic Protein)
Drug: diiodohydroxyquinoline
Target: Catechol O-methyltransferase (Enzyme)
Gene: Comt
UniProt: P22734 (COMT_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 5.25
Assay: Inhibition of Sprague-Dawley rat liver COMT after 10 mins using 0.05 uCi [14CH3]-SAM as substrate
Drug: ipratropium
Target: Muscarinic acetylcholine receptor M1 (GPCR)
Gene: CHRM1
UniProt: P11229 (ACM1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 9.31
Drug: ipratropium
Target: Muscarinic acetylcholine receptor M2 (GPCR)
Gene: CHRM2
UniProt: P08172 (ACM2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 8.824
Drug: ipratropium
Target: Muscarinic acetylcholine receptor M3 (GPCR)
Gene: CHRM3
UniProt: P20309 (ACM3_HUMAN)
Organism: Homo sapiens
Activity: Ki = 9.292
Action type: ANTAGONIST
Drug: ipratropium
Target: Muscarinic acetylcholine receptor M4 (GPCR)
Gene: CHRM4
UniProt: P08173 (ACM4_HUMAN)
Organism: Homo sapiens
Activity: Ki = 9.181
Drug: ipratropium
Target: Muscarinic acetylcholine receptor M5 (GPCR)
Gene: CHRM5
UniProt: P08912 (ACM5_HUMAN)
Organism: Homo sapiens
Activity: Ki = 8.77
Drug: ipratropium
Target: Muscarinic acetylcholine receptor M2 (GPCR)
Gene: Chrm2
UniProt: P10980 (ACM2_RAT)
Organism: Rattus norvegicus
Activity: Ki = 9.11
Assay: Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M2 receptor in heart
Drug: ipratropium
Target: Muscarinic acetylcholine receptor M1 (GPCR)
Gene: Chrm1
UniProt: P08482 (ACM1_RAT)
Organism: Rattus norvegicus
Activity: Ki = 9.54
Assay: Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M1 receptor in cortex membrane
Drug: ipratropium
Target: Muscarinic acetylcholine receptor M3 (GPCR)
Gene: Chrm3
UniProt: P08483 (ACM3_RAT)
Organism: Rattus norvegicus
Activity: Ki = 9.74
Assay: Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M3 receptor in submandibular gland
Drug: ipratropium
Target: Solute carrier family 22 member 2 (Transporter)
Gene: SLC22A2
UniProt: O15244 (S22A2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.824
Drug: ipriflavone
Target: Prostaglandin G/H synthase 1 (Enzyme)
Gene: PTGS1
UniProt: P23219 (PGH1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.531
Assay: DRUGMATRIX: Cyclooxygenase COX-1 enzyme inhibition (substrate: Arachidonic acid)
Drug: ipriflavone
Target: Sodium-dependent noradrenaline transporter (Transporter)
Gene: SLC6A2
UniProt: P23975 (SC6A2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.604
Assay: DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)
Drug: iprindole
Target: Sodium-dependent serotonin transporter (Transporter)
Gene: SLC6A4
UniProt: P31645 (SC6A4_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.79
Drug: iprindole
Target: Sodium-dependent noradrenaline transporter (Transporter)
Gene: SLC6A2
UniProt: P23975 (SC6A2_HUMAN)
Organism: Homo sapiens
Activity: Ki  5.899
Drug: iprindole
Target: Histamine H1 receptor (GPCR)
Gene: HRH1
UniProt: P35367 (HRH1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.921
Drug: iprindole
Target: Sodium-dependent dopamine transporter (Transporter)
Gene: SLC6A3
UniProt: Q01959 (SC6A3_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.185
Drug: iproniazid
Target: Amine oxidase [flavin-containing] B (Enzyme)
Gene: Maob
UniProt: P19643 (AOFB_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 5.12
Assay: Inhibition of MAOB in Sprague-Dawley rat brain mitochondria using kynuramine substrate by fluorimetry
Drug: iproniazid
Target: Amine oxidase [flavin-containing] A (Enzyme)
Gene: Maoa
UniProt: P21396 (AOFA_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 5.3
Assay: Inhibition of MAOA in Sprague-Dawley rat brain mitochondria using kynuramine substrate by fluorimetry
Drug: iproniazid
Target: Amine oxidase [flavin-containing] B (Enzyme)
Gene: MAOB
UniProt: P27338 (AOFB_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.12
Action type: INHIBITOR
Assay: Inhibition of human recombinant MAOB
Drug: iproniazid
Target: Amine oxidase [flavin-containing] A (Enzyme)
Gene: MAOA
UniProt: P21397 (AOFA_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.18
Action type: INHIBITOR
Assay: Inhibition of human recombinant MAOA
Drug: irbesartan
Target: Type-1 angiotensin II receptor (GPCR)
Gene: AGTR1
UniProt: P30556 (AGTR1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 9.1
Action type: ANTAGONIST
Assay: Inhibitory concentration against angiotensin II receptor, type 1
Drug: irbesartan
Target: Endothelin-1 receptor (GPCR)
Gene: EDNRA
UniProt: P25101 (EDNRA_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5
Assay: Binding affinity to ETA receptor
Drug: irbesartan
Target: Type-1B angiotensin II receptor (GPCR)
Gene: Agtr1b
UniProt: P29089 (AGTRB_RAT)
Organism: Rattus norvegicus
Activity: Ki = 9.1
Assay: Compound was evaluated for its binding affinity towards rat Angiotensin II receptor, type 1
Drug: irbesartan
Target: Angiotensin II receptor (AT-1) type-1 (GPCR)
Gene: Agtr1|Agtr1b
UniProt: P25095|P29089 (AGTRA_RAT|AGTRB_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 8.89
Assay: Binding affinity towards Angiotensin II receptor, type 1 in rat liver membrane using [125I]-angiotensin II (0.1 nM)
Drug: irbesartan
Target: Angiotensin II receptor (GPCR)
Gene: Agtr1|Agtr1b|Agtr2
UniProt: P25095|P29089|P35351 (AGTRA_RAT|AGTRB_RAT|AGTR2_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 8.89
Assay: Inhibition of [125I]-AII binding to Angiotensin II receptor of rat uterine membrane
Drug: irbesartan
Target: Sodium/bile acid cotransporter (Transporter)
Gene: SLC10A1
UniProt: Q14973 (NTCP_HUMAN)
Organism: Homo sapiens
Activity: Ki = 4.92
Action type: INHIBITOR
Drug: irinotecan
Target: Multidrug resistance protein 1 (Transporter)
Gene: ABCB1
UniProt: P08183 (MDR1_HUMAN)
Organism: Homo sapiens
Drug: irinotecan
Target: Muscarinic acetylcholine receptor M4 (GPCR)
Gene: CHRM4
UniProt: P08173 (ACM4_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.664
Assay: DRUGMATRIX: Muscarinic M4 radioligand binding (ligand: [3H] N-Methylscopolamine)
Drug: irinotecan
Target: Canalicular multispecific organic anion transporter 1 (Transporter)
Gene: ABCC2
UniProt: Q92887 (MRP2_HUMAN)
Organism: Homo sapiens
Drug: irinotecan
Target: Alpha-2C adrenergic receptor (GPCR)
Gene: ADRA2C
UniProt: P18825 (ADA2C_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.336
Assay: DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912)
Drug: irinotecan
Target: Multidrug resistance-associated protein 1 (Transporter)
Gene: ABCC1
UniProt: P33527 (MRP1_HUMAN)
Organism: Homo sapiens
Drug: irinotecan
Target: ATP-binding cassette sub-family G member 2 (Transporter)
Gene: ABCG2
UniProt: Q9UNQ0 (ABCG2_HUMAN)
Organism: Homo sapiens
Drug: irinotecan
Target: Multidrug resistance-associated protein 4 (Transporter)
Gene: ABCC4
UniProt: O15439 (MRP4_HUMAN)
Organism: Homo sapiens
Drug: irinotecan
Target: Acetylcholinesterase (Enzyme)
Gene: ACHE
UniProt: P22303 (ACES_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.3
Assay: Inhibition of human AChE
Drug: irinotecan
Target: DNA topoisomerase 1 (Enzyme)
Gene: TOP1
UniProt: P11387 (TOP1_HUMAN)
Organism: Homo sapiens
Action type: INHIBITOR
Drug: irinotecan
Target: Interstitial collagenase (Enzyme)
Gene: MMP1
UniProt: P03956 (MMP1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.218
Assay: DRUGMATRIX: Peptidase, Matrix Metalloproteinase-1 (MMP-1) enzyme inhibition (substrate: Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2)
Drug: irinotecan
Target: Solute carrier family 22 member 1 (Transporter)
Gene: SLC22A1
UniProt: O15245 (S22A1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.68
Assay: Inhibition of human OCT1-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay
Drug: irinotecan
Target: Acetylcholinesterase (Enzyme)
Gene: ache
UniProt: P04058 (ACES_TORCA)
Organism: Torpedo californica
Activity: Ki = 7.58
Assay: Inhibition of Torpedo californica AChE
Drug: irinotecan
Target: Solute carrier family 22 member 2 (Transporter)
Gene: SLC22A2
UniProt: O15244 (S22A2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.57
Assay: Inhibition of human OCT2-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay
Drug: irinotecan
Target: Multidrug and toxin extrusion protein 1 (Transporter)
Gene: SLC47A1
UniProt: Q96FL8 (S47A1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.68
Assay: Inhibition of human MATE1-mediated [14]-metformin uptake expressed in HEK293 cells after 1.5 mins by scintillation counting analysis
Drug: irinotecan
Target: Multidrug and toxin extrusion protein 2 (Transporter)
Gene: SLC47A2
UniProt: Q86VL8 (S47A2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.1
Assay: Inhibition of human MATE2K-mediated ASP+ uptake expressed in HEK293 cells up to 500 uM after 1.5 mins by fluorescence assay
Drug: irinotecan
Target: Solute carrier family 22 member 3 (Transporter)
Gene: SLC22A3
UniProt: O75751 (S22A3_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.13
Assay: Inhibition of human OCT3-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay
Drug: irofulven
Target: Serine/threonine-protein kinase Chk2 (Kinase)
Gene: CHEK2
UniProt: O96017 (CHK2_HUMAN)
Organism: Homo sapiens
Drug: isepamicin
Target: Macrolide 2'-phosphotransferase II; Macrolide 2'-phosphotransferase II protein MphB; Macrolide 2-phosphotransferase, mph(B) (Enzyme)
Gene: mphB
UniProt: O32553 (O32553_ECOLX)
Organism: Escherichia coli
Activity: Km = 4.87
Drug: isocarboxazid
Target: Amine oxidase [flavin-containing] B (Enzyme)
Gene: MAOB
UniProt: P27338 (AOFB_HUMAN)
Organism: Homo sapiens
Action type: INHIBITOR
Drug: isocarboxazid
Target: Amine oxidase [flavin-containing] A (Enzyme)
Gene: MAOA
UniProt: P21397 (AOFA_HUMAN)
Organism: Homo sapiens
Action type: INHIBITOR
Drug: isoetarine
Target: Beta-2 adrenergic receptor (GPCR)
Gene: ADRB2
UniProt: P07550 (ADRB2_HUMAN)
Organism: Homo sapiens
Activity: Kd = 6
Action type: AGONIST
Assay: Binding affinity to beta-2 adrenergic receptor (unknown origin) at 1 to 10000 nM
Drug: isoflurane
Target: 5-hydroxytryptamine receptor 2B (GPCR)
Gene: HTR2B
UniProt: P41595 (5HT2B_HUMAN)
Organism: Homo sapiens
Activity: Ki  5.109
Drug: isoflurane
Target: Potassium channel subfamily K member 2 (Ion channel)
Gene: KCNK2
UniProt: O95069 (KCNK2_HUMAN)
Organism: Homo sapiens
Action type: OPENER
Assay: Mechanism of Action; CHEMBL2321615; SINGLE PROTEIN
Drug: isoflurane
Target: Potassium channel subfamily K member 3 (Ion channel)
Gene: KCNK3
UniProt: O14649 (KCNK3_HUMAN)
Organism: Homo sapiens
Action type: OPENER
Assay: Mechanism of Action; CHEMBL2321613; SINGLE PROTEIN
Drug: isoflurane
Target: Potassium channel subfamily K member 9 (Ion channel)
Gene: KCNK9
UniProt: Q9NPC2 (KCNK9_HUMAN)
Organism: Homo sapiens
Action type: OPENER
Assay: Mechanism of Action; CHEMBL2321614; SINGLE PROTEIN
Drug: isoflurane
Target: Potassium channel subfamily K member 10 (Ion channel)
Gene: KCNK10
UniProt: P57789 (KCNKA_HUMAN)
Organism: Homo sapiens
Action type: OPENER
Assay: Mechanism of Action; CHEMBL2331041; SINGLE PROTEIN
Drug: isoflurane
Target: Potassium channel subfamily K member 18 (Ion channel)
Gene: KCNK18
UniProt: Q7Z418 (KCNKI_HUMAN)
Organism: Homo sapiens
Action type: OPENER
Assay: Mechanism of Action; CHEMBL2331042; SINGLE PROTEIN
Drug: isoflurane
Target: Glycine receptor (alpha-1/beta) (Ion channel)
Gene: GLRA1|GLRB
UniProt: P23415|P48167 (GLRA1_HUMAN|GLRB_HUMAN)
Organism: Homo sapiens
Action type: POSITIVE MODULATOR
Assay: Mechanism of Action; CHEMBL2363052; PROTEIN COMPLEX
Drug: isoflurane
Target: GABA-A receptor; anion channel (Ion channel)
Gene: GABRP|GABRD|GABRA1|GABRB1|GABRG2|GABRB3|GABRA5|GABRA3|GABRA2|GABRB2|GABRA4|GABRE|GABRA6|GABRG1|GABRG3|GABRQ
UniProt: O00591|O14764|P14867|P18505|P18507|P28472|P31644|P34903|P47869|P47870|P48169|P78334|Q16445|Q8N1C3|Q99928|Q9UN88 (GBRP_HUMAN|GBRD_HUMAN|GBRA1_HUMAN|GBRB1_HUMAN|GBRG2_HUMAN|GBRB3_HUMAN|GBRA5_HUMAN|GBRA3_HUMAN|GBRA2_HUMAN|GBRB2_HUMAN|GBRA4_HUMAN|GBRE_HUMAN|GBRA6_HUMAN|GBRG1_HUMAN|GBRG3_HUMAN|GBRT_HUMAN)
Organism: Homo sapiens
Action type: POSITIVE ALLOSTERIC MODULATOR
Assay: Mechanism of Action; CHEMBL2093872; PROTEIN COMPLEX GROUP
Drug: fluostigmine
Target: Prostaglandin G/H synthase 2 (Enzyme)
Gene: PTGS2
UniProt: P35354 (PGH2_HUMAN)
Organism: Homo sapiens
Activity: Ki  6.77
Drug: fluostigmine
Target: Acetylcholinesterase (Enzyme)
Gene: ACHE
UniProt: P22303 (ACES_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.22
Action type: INHIBITOR
Assay: Inhibition of human AChE assessed as equilibrium binding by modified Ellman's spectrophotometric method
Drug: fluostigmine
Target: Acetylcholinesterase (Enzyme)
Gene: ache
UniProt: P04058 (ACES_TORCA)
Organism: Torpedo californica
Activity: Kd = 4.15
Assay: Inhibition of Torpedo californica AChE
Drug: fluostigmine
Target: Acetylcholinesterase (Enzyme)
Gene: ache
UniProt: O42275 (ACES_ELEEL)
Organism: Electrophorus electricus
Activity: IC50 = 6.32
Assay: In vitro inhibitory activity against acetylcholinesterase from electric eel
Drug: fluostigmine
Target: Lysosomal protective protein (Enzyme)
Gene: CTSA
UniProt: P10619 (PPGB_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5
Assay: Inhibition of recombinant CatA using [14C]GS-7340 substrate
Drug: fluostigmine
Target: Liver carboxylesterase (Enzyme)
UniProt: Q29550 (EST1_PIG)
Organism: Sus scrofa
Activity: IC50 = 7.3
Assay: Inhibition of porcine liver carboxylesterase using [14C]GS-7340 substrate
Drug: isoniazid
Target: Cytochrome P450 3A4 (Enzyme)
Gene: CYP3A4
UniProt: P08684 (CP3A4_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.31
Drug: isoniazid
Target: Catalase-peroxidase (Enzyme)
Gene: katG
UniProt: P9WIE4 (KATG_MYCTO)
Organism: Mycobacterium tuberculosis (strain CDC 1551 / Oshkosh)
Drug: isoniazid
Target: Enoyl-[acyl-carrier-protein] reductase [NADH] (Enzyme)
Gene: inhA
UniProt: P9WGR1 (INHA_MYCTU)
Organism: Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Activity: IC50 = 5.08
Action type: INHIBITOR
Assay: Inhibition of recombinant Mycobacterium tuberculosis InhA expressed in Escherichia coli Rosette(DE3) pLysS using trans-2-decenoyl-N-acetylcysteamine as substrate by spectrophotometric method
Drug: isoniazid
Target: Myeloperoxidase (Enzyme)
Gene: MPO
UniProt: P05164 (PERM_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.33
Assay: Inhibition of human MPO
Drug: isoniazid
Target: Cytochrome P450 3A5 (Enzyme)
Gene: CYP3A5
UniProt: P20815 (CP3A5_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.96
Drug: isoniazid
Target: Dihydrofolate reductase (Enzyme)
Gene: folA
UniProt: P9WNX1 (DYR_MYCTU)
Organism: Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Activity: Ki = 9
Assay: Inhibition of Mycobacterium tuberculosis dihydrofolate reductase
Drug: isoprenaline
Target: Beta-1 adrenergic receptor (GPCR)
Gene: ADRB1
UniProt: P08588 (ADRB1_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 9
Action type: AGONIST
Drug: isoprenaline
Target: Beta-2 adrenergic receptor (GPCR)
Gene: ADRB2
UniProt: P07550 (ADRB2_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 9.8
Action type: AGONIST