AIM-Harvard/TrialPanorama-filtered huggingface dataset:
Drug: hydrochlorothiazide
Target: Carbonic anhydrase, alpha family (Unclassified)
UniProt: Q31FD6 (Q31FD6_HYDCU)
Organism: Hydrogenovibrio crunogenus (strain XCL-2)
Activity: Ki = 6.53
Assay: Inhibition of recombinant Thiomicrospira crunogena XCL-2 carbonic anhydrase by stopped flow CO2 hydrase assay
Drug: hydrochlorothiazide
Target: Carbonate dehydratase (Enzyme)
UniProt: B2V8E3 (B2V8E3_SULSY)
Organism: Sulfurihydrogenibium sp. (strain YO3AOP1)
Activity: Ki = 8.14
Assay: Inhibition of recombinant Sulfurihydrogenibium yellowstonense YO3AOP1 carbonic anhydrase by stopped flow CO2 hydrase assay
Drug: hydrocodone
Target: Mu-type opioid receptor (GPCR)
Gene: OPRM1
UniProt: P35372 (OPRM_HUMAN)
Organism: Homo sapiens
Activity: Ki = 8.02
Action type: AGONIST
Assay: Displacement of [3H]-DAMGO from human mu opioid receptor expressed in CHO cells after 60 mins by scintillation counting
Drug: hydrocodone
Target: Kappa-type opioid receptor (GPCR)
Gene: OPRK1
UniProt: P41145 (OPRK_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.59
Action type: AGONIST
Assay: Displacement of [3H]-U69,593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting
Drug: hydrocortamate
Target: Glucocorticoid receptor (Nuclear hormone receptor)
Gene: NR3C1
UniProt: P04150 (GCR_HUMAN)
Organism: Homo sapiens
Action type: AGONIST
Assay: Mechanism of Action; CHEMBL2034; SINGLE PROTEIN
Drug: hydrocortisone
Target: Glucocorticoid receptor (Nuclear hormone receptor)
Gene: NR3C1
UniProt: P04150 (GCR_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 8.5
Action type: AGONIST
Drug: hydrocortisone
Target: Annexin A1 (Cytosolic other)
Gene: ANXA1
UniProt: P04083 (ANXA1_HUMAN)
Organism: Homo sapiens
Drug: hydrocortisone
Target: Mineralocorticoid receptor (Nuclear hormone receptor)
Gene: NR3C2
UniProt: P08235 (MCR_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 9.95
Action type: AGONIST
Drug: hydrocortisone
Target: Nitric oxide synthase, inducible (Enzyme)
Gene: NOS2
UniProt: P35228 (NOS2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8
Drug: hydrocortisone
Target: Corticosteroid-binding globulin (Secreted)
Gene: SERPINA6
UniProt: P08185 (CBG_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.881
Drug: hydrocortisone
Target: Sex hormone-binding globulin (Secreted)
Gene: SHBG
UniProt: P04278 (SHBG_HUMAN)
Organism: Homo sapiens
Activity: Kd = 6.2
Assay: Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin
Drug: hydrocortisone
Target: Glucocorticoid receptor (Transcription factor)
Gene: Nr3c1
UniProt: P06537 (GCR_MOUSE)
Organism: Mus musculus
Activity: Kd = 7.37
Assay: Displacement of 1 x 10'-8 M of [1,2,3-3H]-triamcinolone acetonide from glucocorticoid receptor in soluble fraction of mouse L929 cells after 20 hrs
Drug: hydrocortisone cypionate
Target: Glucocorticoid receptor (Nuclear hormone receptor)
Gene: NR3C1
UniProt: P04150 (GCR_HUMAN)
Organism: Homo sapiens
Action type: AGONIST
Assay: Mechanism of Action; CHEMBL2034; SINGLE PROTEIN
Drug: hydroflumethiazide
Target: Solute carrier family 12 member 3 (Transporter)
Gene: SLC12A3
UniProt: P55017 (S12A3_HUMAN)
Organism: Homo sapiens
Activity: A2 = 7.37
Action type: INHIBITOR
Drug: hydromorphone
Target: Mu-type opioid receptor (GPCR)
Gene: OPRM1
UniProt: P35372 (OPRM_HUMAN)
Organism: Homo sapiens
Activity: Ki = 9.55
Action type: AGONIST
Assay: Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells after 60 mins by scintillation counting
Drug: hydromorphone
Target: Kappa-type opioid receptor (GPCR)
Gene: OPRK1
UniProt: P41145 (OPRK_HUMAN)
Organism: Homo sapiens
Activity: Ki = 8.55
Assay: Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting
Drug: hydromorphone
Target: Delta-type opioid receptor (GPCR)
Gene: OPRD1
UniProt: P41143 (OPRD_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.42
Assay: Displacement of [3H]naltrindole from human delta opioid receptor expressed in CHO cells after 3 hrs by scintillation counting
Drug: hydromorphone
Target: Opioid receptor (GPCR)
Gene: Oprd1|Oprm1|Oprk1|Sigmar1
UniProt: P33533|P33535|P34975|Q9R0C9 (OPRD_RAT|OPRM_RAT|OPRK_RAT|SGMR1_RAT)
Organism: Rattus norvegicus
Activity: EC50 = 9
Assay: Binding affinity to opioid receptor in rat brain homogenates
Drug: hydroxyamfetamine
Target: Beta-secretase 1 (Enzyme)
Gene: BACE1
UniProt: P56817 (BACE1_HUMAN)
Organism: Homo sapiens
Activity: Kd = 3.1
Assay: Binding affinity to BACE1 by surface plasmon resonance method
Drug: hydroxyamfetamine
Target: Trace amine-associated receptor 1 (GPCR)
Gene: Taar1
UniProt: Q923Y9 (TAAR1_RAT)
Organism: Rattus norvegicus
Activity: EC50 = 7.3
Assay: Activation of rat TAAR1 expressed in HEK293 cells assessed as accumulation of [3H]cAMP after 1 hr by competitive binding assay
Drug: hydroxyamfetamine
Target: Trace amine-associated receptor 1 (GPCR)
Gene: TAAR1
UniProt: Q96RJ0 (TAAR1_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 5.529
Action type: AGONIST
Assay: (S) enantiomer activation of hTAAR1 in RD-HGA16 cells
Drug: hydroxychloroquine
Target: Alpha-2A adrenergic receptor (GPCR)
Gene: ADRA2A
UniProt: P08913 (ADA2A_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.19
Assay: Activity of compound against Alpha-2A (ADRA2A) adrenergic receptor by displacement of [3H]-rauwolscine
Drug: hydroxychloroquine
Target: Sigma non-opioid intracellular receptor 1 (Membrane receptor)
Gene: SIGMAR1
UniProt: Q99720 (SGMR1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.9
Assay: Displacement of [3H]-pentazocin from the Sigma1 receptor
Drug: hydroxychloroquine
Target: Potassium voltage-gated channel subfamily H member 2 (Ion channel)
Gene: KCNH2
UniProt: Q12809 (KCNH2_HUMAN)
Organism: Homo sapiens
Drug: hydroxychloroquine
Target: Alpha-2B adrenergic receptor (GPCR)
Gene: ADRA2B
UniProt: P18089 (ADA2B_HUMAN)
Organism: Homo sapiens
Activity: Ki = 4.14
Assay: Activity of compound against Alpha 2B (ADRA2B) adrenergic receptor by displacement of [3H]-rauwolscine
Drug: hydroxychloroquine
Target: Muscarinic acetylcholine receptor M1 (GPCR)
Gene: CHRM1
UniProt: P11229 (ACM1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 4.81
Assay: Activity of compound against Muscarinic acetylcholine receptor M1 (CHRM1) by displacement of 3H-QNB
Drug: hydroxychloroquine
Target: Muscarinic acetylcholine receptor M2 (GPCR)
Gene: CHRM2
UniProt: P08172 (ACM2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.979
Assay: DRUGMATRIX: Muscarinic M2 radioligand binding (ligand: [3H] N-Methylscopolamine)
Drug: hydroxychloroquine
Target: Muscarinic acetylcholine receptor M3 (GPCR)
Gene: CHRM3
UniProt: P20309 (ACM3_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.32
Assay: Activity of compound against Muscarinic acetylcholine receptor M3 (CHRM3) by displacement of 3H-QNB
Drug: hydroxychloroquine
Target: Muscarinic acetylcholine receptor M4 (GPCR)
Gene: CHRM4
UniProt: P08173 (ACM4_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.26
Assay: Activity of compound against Muscarinic acetylcholine receptor M4 (CHRM4)  by displacement of 3H-QNB
Drug: hydroxychloroquine
Target: Muscarinic acetylcholine receptor M5 (GPCR)
Gene: CHRM5
UniProt: P08912 (ACM5_HUMAN)
Organism: Homo sapiens
Activity: Ki = 4.7
Assay: Activity of compound against Muscarinic acetylcholine receptor M5 (CHRM5) by displacement of 3H-QNB
Drug: hydroxychloroquine
Target: Alpha-2C adrenergic receptor (GPCR)
Gene: ADRA2C
UniProt: P18825 (ADA2C_HUMAN)
Organism: Homo sapiens
Activity: Ki = 4.8
Assay: Activity of compound against Alpha 2C (ADRA2C) adrenergic receptor by displacement of [3H]-rauwolscine
Drug: hydroxychloroquine
Target: Hemoglobin subunit alpha (Secreted)
Gene: HBA1
UniProt: P69905 (HBA_HUMAN)
Organism: Homo sapiens
Drug: hydroxychloroquine
Target: Alpha-1D adrenergic receptor (GPCR)
Gene: ADRA1D
UniProt: P25100 (ADA1D_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.63
Assay: DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)
Drug: hydroxychloroquine
Target: Toll-like receptor 7 (Membrane receptor)
Gene: TLR7
UniProt: Q9NYK1 (TLR7_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.56
Action type: ANTAGONIST
Assay: Inhibition of hTLR7 R848-induced luciferase reporter gene activation.
Drug: hydroxychloroquine
Target: Toll-like receptor 9 (Membrane receptor)
Gene: TLR9
UniProt: Q9NR96 (TLR9_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.1
Action type: ANTAGONIST
Assay: Inhibition of hTLR9 CpG2006-induced luciferase reporter gene activation.
Drug: hydroxychloroquine
Target: Transmembrane protein 97 (Enzyme)
Gene: TMEM97
UniProt: Q5BJF2 (TMM97_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6
Assay: Displacement of [3H]-DTG from the Sigma2 receptor
Drug: hydroxystilbamidine
Target: Trypsin (Enzyme)
UniProt: P00761 (TRYP_PIG)
Organism: Sus scrofa
Activity: AC50 = 5.5
Assay: Active
Drug: hydroxycarbamide
Target: Carbonic anhydrase 2 (Enzyme)
Gene: CA2
UniProt: P00918 (CAH2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 4.55
Assay: Inhibition of human CA2
Drug: hydroxycarbamide
Target: Carbonic anhydrase 9 (Enzyme)
Gene: CA9
UniProt: Q16790 (CAH9_HUMAN)
Organism: Homo sapiens
Activity: Ki = 4.64
Assay: Inhibition of human CA9
Drug: hydroxycarbamide
Target: Ribonucleoside-diphosphate reductase large subunit (Enzyme)
Gene: RRM1
UniProt: P23921 (RIR1_HUMAN)
Organism: Homo sapiens
Action type: INHIBITOR
Drug: hydroxycarbamide
Target: Ribonucleoside-diphosphate reductase subunit M2 (Enzyme)
Gene: RRM2
UniProt: P31350 (RIR2_HUMAN)
Organism: Homo sapiens
Action type: INHIBITOR
Drug: hydroxycarbamide
Target: Carbonic anhydrase 5A, mitochondrial (Enzyme)
Gene: CA5A
UniProt: P35218 (CAH5A_HUMAN)
Organism: Homo sapiens
Activity: Ki = 4.51
Assay: Inhibition of human CA5a
Drug: hydroxyzine
Target: D(2) dopamine receptor (GPCR)
Gene: DRD2
UniProt: P14416 (DRD2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.42
Assay: Binding affinity to D2 receptor (unknown origin)
Drug: hydroxyzine
Target: 5-hydroxytryptamine receptor 2A (GPCR)
Gene: HTR2A
UniProt: P28223 (5HT2A_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.3
Assay: Binding affinity to 5-HT2A receptor (unknown origin)
Drug: hydroxyzine
Target: Histamine H1 receptor (GPCR)
Gene: HRH1
UniProt: P35367 (HRH1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 8.699
Action type: ANTAGONIST
Drug: hydroxyzine
Target: Cytochrome P450 2D6 (Enzyme)
Gene: CYP2D6
UniProt: P10635 (CP2D6_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.409
Drug: hydroxyzine
Target: Envelope glycoprotein gp160 (Viral envelope protein)
Gene: env
UniProt: Q75760 (Q75760_9HIV1)
Organism: Human immunodeficiency virus 1
Activity: IC50 = 5.2
Assay: Active
Drug: hymecromone
Target: Amine oxidase [flavin-containing] B (Enzyme)
Gene: MAOB
UniProt: P27338 (AOFB_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.09
Assay: Inhibition of human recombinant MAOB by fluorimetric method
Drug: hymecromone
Target: Aldose reductase (Enzyme)
Gene: AKR1B1
UniProt: P15121 (ALDR_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.61
Assay: Inhibition human recombinant aldose reductase 1 by spectrophotometric analysis
Drug: hymecromone
Target: Carbonic anhydrase 9 (Enzyme)
Gene: CA9
UniProt: Q16790 (CAH9_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.25
Assay: Inhibition of human recombinant CA9 after 6 hrs by stopped flow CO2 hydration assay
Drug: hymecromone
Target: Carbonic anhydrase 12 (Enzyme)
Gene: CA12
UniProt: O43570 (CAH12_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.09
Assay: Inhibition of human recombinant CA12 after 6 hrs by stopped flow CO2 hydration assay
Drug: hymecromone
Target: Testosterone 17-beta-dehydrogenase 3 (Enzyme)
Gene: HSD17B3
UniProt: P37058 (DHB3_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6
Assay: Inhibition of human 17beta-HSD3 expressed in HeLa cells
Drug: hymecromone
Target: Aldose reductase (Enzyme)
Gene: Akr1b1
UniProt: P07943 (ALDR_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 4.21
Assay: Compound was tested for inhibitory concentration against rat lens aldose reductase (noncompetitive inhibition type)
Drug: hyoscyamine
Target: Muscarinic acetylcholine receptor M1 (GPCR)
Gene: CHRM1
UniProt: P11229 (ACM1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 9
Action type: ANTAGONIST
Drug: hyoscyamine
Target: Muscarinic acetylcholine receptor M2 (GPCR)
Gene: CHRM2
UniProt: P08172 (ACM2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 9.3
Action type: ANTAGONIST
Drug: hyoscyamine
Target: Muscarinic acetylcholine receptor M3 (GPCR)
Gene: CHRM3
UniProt: P20309 (ACM3_HUMAN)
Organism: Homo sapiens
Activity: Ki = 9.8
Action type: ANTAGONIST
Drug: hyoscyamine
Target: Muscarinic acetylcholine receptor M4 (GPCR)
Gene: CHRM4
UniProt: P08173 (ACM4_HUMAN)
Organism: Homo sapiens
Activity: Ki = 9.9
Drug: hyoscyamine
Target: Muscarinic acetylcholine receptor M5 (GPCR)
Gene: CHRM5
UniProt: P08912 (ACM5_HUMAN)
Organism: Homo sapiens
Activity: Ki = 9.2
Drug: ibandronic acid
Target: Farnesyl pyrophosphate synthase (Enzyme)
Gene: FDPS
UniProt: P14324 (FPPS_HUMAN)
Organism: Homo sapiens
Activity: Ki = 8.44
Action type: INHIBITOR
Assay: Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 after 10 mins
Drug: ibandronic acid
Target: Geranylgeranyl pyrophosphate synthase (Enzyme)
Gene: GGPS1
UniProt: O95749 (GGPPS_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.1
Assay: Inhibition of human recombinant geranylgeranyl diphosphate synthase
Drug: ibandronic acid
Target: Squalene synthase (Enzyme)
Gene: Fdft1
UniProt: Q02769 (FDFT_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 6.19
Assay: Inhibition of squalene synthase in rat liver microsomes assessed as conversion of [1-3H]FPP to [3H]squalene level after 60 mins by liquid scintillation counting
Drug: ibandronic acid
Target: Farnesyl pyrophosphate synthase (Enzyme)
Gene: Fdps
UniProt: P05369 (FPPS_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 5.13
Action type: INHIBITOR
Assay: in vitro using kidney cell lines
Drug: ibudilast
Target: cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Enzyme)
Gene: PDE4B
UniProt: Q07343 (PDE4B_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.19
Assay: Inhibition of human PDE4B
Drug: ibudilast
Target: cAMP-specific 3',5'-cyclic phosphodiesterase 4A (Enzyme)
Gene: PDE4A
UniProt: P27815 (PDE4A_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.27
Assay: Inhibition of human PDE4A
Drug: ibudilast
Target: cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Enzyme)
Gene: PDE4D
UniProt: Q08499 (PDE4D_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.78
Assay: Inhibition of human PDE4D
Drug: ibudilast
Target: cAMP-specific 3',5'-cyclic phosphodiesterase 4C (Enzyme)
Gene: PDE4C
UniProt: Q08493 (PDE4C_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.62
Assay: Inhibition of human PDE4C
Drug: ibuprofen
Target: Prostaglandin G/H synthase 2 (Enzyme)
Gene: PTGS2
UniProt: P35354 (PGH2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.14
Action type: INHIBITOR
Drug: ibuprofen
Target: Prostaglandin G/H synthase 1 (Enzyme)
Gene: PTGS1
UniProt: P23219 (PGH1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.12
Action type: INHIBITOR
Drug: ibuprofen
Target: Cytochrome P450 2C9 (Enzyme)
Gene: CYP2C9
UniProt: P11712 (CP2C9_HUMAN)
Organism: Homo sapiens
Activity: Ki = 4.3
Drug: ibuprofen
Target: Aldo-keto reductase family 1 member C2 (Enzyme)
Gene: AKR1C2
UniProt: P52895 (AK1C2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.37
Assay: Inhibition of human recombinant N-terminal His6-tagged AKR1C2 expressed in Escherichia coli BL21(DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-11-oxa-3a-aza-benzo[de]anthracen-10-one as substrate after 1 hr by fluorimetric analysis
Drug: ibuprofen
Target: Aldo-keto reductase family 1 member C3 (Enzyme)
Gene: AKR1C3
UniProt: P42330 (AK1C3_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.48
Assay: Inhibition of recombinant human AKR1C3
Drug: ibuprofen
Target: Arachidonate 5-lipoxygenase (Enzyme)
Gene: ALOX5
UniProt: P09917 (LOX5_HUMAN)
Organism: Homo sapiens
Drug: ibuprofen
Target: Fatty acid-binding protein, liver (Unclassified)
Gene: Fabp1
UniProt: P02692 (FABPL_RAT)
Organism: Rattus norvegicus
Activity: Ki = 4.32
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: ibuprofen
Target: Interleukin-8 (Cytokine)
Gene: CXCL8
UniProt: P10145 (IL8_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.3
Assay: Inhibition of CXCL8-induced chemotaxis in human polymorphonuclear leukocyte pretreated for 15 mins measured after 4 hrs by cell migration assay
Drug: ibuprofen
Target: Prostaglandin G/H synthase 2 (Enzyme)
Gene: Ptgs2
UniProt: Q05769 (PGH2_MOUSE)
Organism: Mus musculus
Activity: IC50 = 6.07
Assay: Inhibition of COX-2 in mouse RAW264.7 cells assessed as decrease in LPS-induced PGE2 production treated prior to LPS challenge by enzyme immunoassay
Drug: ibuprofen
Target: Prostaglandin G/H synthase 1 (Enzyme)
Gene: PTGS1
UniProt: P05979 (PGH1_SHEEP)
Organism: Ovis aries
Activity: Ki = 5.05
Assay: Inhibition of sheep placental cotyledons COX1
Drug: ibuprofen
Target: Prostaglandin G/H synthase 2 (Enzyme)
Gene: PTGS2
UniProt: O62698 (PGH2_BOVIN)
Organism: Bos taurus
Activity: IC50 = 5.96
Assay: Inhibition of bovine COX2 by enzyme immunoassay
Drug: ibuprofen
Target: Prostaglandin-H2 D-isomerase (Enzyme)
Gene: Ptgds
UniProt: O09114 (PTGDS_MOUSE)
Organism: Mus musculus
Activity: IC50 = 4.89
Assay: Concentration required to inhibit 50% activity of prostaglandin synthetase was determined in vitro in mouse brain microsomes
Drug: ibuprofen
Target: Prostaglandin G/H synthase 2 (Enzyme)
Gene: PTGS2
UniProt: P79208 (PGH2_SHEEP)
Organism: Ovis aries
Activity: Ki = 5.05
Assay: Inhibition of sheep placental cotyledons COX2
Drug: ibuprofen
Target: Serum albumin (Secreted)
Gene: ALB
UniProt: P02769 (ALBU_BOVIN)
Organism: Bos taurus
Activity: IC50 = 5.52
Assay: Binding affinity to bovine serum albumin
Drug: ibuprofen
Target: Solute carrier family 22 member 6 (Transporter)
Gene: Slc22a6
UniProt: Q8VC69 (S22A6_MOUSE)
Organism: Mus musculus
Activity: Ki = 5.33
Assay: Inhibition of mouse Oat1-mediated [3H]PAH uptake in Xenopus oocytes after 1 hr
Drug: ibuprofen
Target: Prostaglandin G/H synthase 1 (Enzyme)
Gene: PTGS1
UniProt: O62664 (PGH1_BOVIN)
Organism: Bos taurus
Activity: IC50 = 5.54
Assay: Inhibition of bovine COX1 by enzyme immunoassay
Drug: ibuprofen
Target: Solute carrier family 22 member 20 (Transporter)
Gene: Slc22a20
UniProt: Q80UJ1 (S22AK_MOUSE)
Organism: Mus musculus
Activity: Ki = 5.96
Assay: Inhibition of mouse Oat6-mediated [3H]ES uptake in Xenopus oocytes after 1 hr
Drug: ibuprofen
Target: Cyclooxygenase (Enzyme)
Gene: Ptgs2|Ptgs1
UniProt: P35355|Q63921 (PGH2_RAT|PGH1_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 5.7
Assay: Inhibition of Prostaglandin G/H synthase in intact RBL-1 cell line
Drug: ibuprofen
Target: Sodium-coupled monocarboxylate transporter 1 (Transporter)
Gene: SLC5A8
UniProt: Q8N695 (SC5A8_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.2
Action type: INHIBITOR
Drug: ibuprofen
Target: Dehydrogenase/reductase SDR family member 9 (Enzyme)
Gene: Dhrs9
UniProt: Q8VD48 (DHRS9_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 4
Assay: Inhibition of rat liver 3-alpha-HSD assessed as 5-beta-dihydrocortisone reduction
Drug: ibuprofen
Target: Acid-sensing ion channel 1 (Ion channel)
Gene: ASIC1
UniProt: P78348 (ASIC1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 3.53
Action type: BLOCKER
Drug: ibuproxam
Target: Arachidonate 5-lipoxygenase (Enzyme)
Gene: Alox5
UniProt: P12527 (LOX5_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 5.32
Assay: In vitro inhibitory activity against 5-lipoxygenase in rat RBL-1 cells
Drug: ibuproxam
Target: Cyclooxygenase (Enzyme)
Gene: Ptgs2|Ptgs1
UniProt: P35355|Q63921 (PGH2_RAT|PGH1_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 5
Assay: Inhibition of Prostaglandin G/H synthase in intact RBL-1 cell line
Drug: ibutilide
Target: Potassium voltage-gated channel subfamily H member 2 (Ion channel)
Gene: KCNH2
UniProt: Q12809 (KCNH2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8
Action type: BLOCKER
Assay: Inhibition of human Potassium channel HERG expressed in mammalian cells
Drug: icosapent ethyl
Target: Diacylglycerol O-acyltransferase 1 (Enzyme)
Gene: DGAT1
UniProt: O75907 (DGAT1_HUMAN)
Organism: Homo sapiens
Action type: INHIBITOR
Assay: Mechanism of Action
Drug: idarubicin
Target: Multidrug resistance protein 1 (Transporter)
Gene: ABCB1
UniProt: P08183 (MDR1_HUMAN)
Organism: Homo sapiens
Drug: idarubicin
Target: DNA topoisomerase 2-alpha (Enzyme)
Gene: TOP2A
UniProt: P11388 (TOP2A_HUMAN)
Organism: Homo sapiens
Action type: INHIBITOR
Drug: idarubicin
Target: Multidrug resistance-associated protein 1 (Transporter)
Gene: ABCC1
UniProt: P33527 (MRP1_HUMAN)
Organism: Homo sapiens
Drug: idebenone
Target: Cytochrome P450 3A4 (Enzyme)
Gene: CYP3A4
UniProt: P08684 (CP3A4_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.155
Assay: DRUGMATRIX: CYP450, 3A4 enzyme inhibition (substrate: 7-Benzyloxy-4-(trifluoromethyl)-coumarin)
Drug: idebenone
Target: Cytochrome P450 2D6 (Enzyme)
Gene: CYP2D6
UniProt: P10635 (CP2D6_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.523
Assay: DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)
Drug: idebenone
Target: Cytochrome P450 2C9 (Enzyme)
Gene: CYP2C9
UniProt: P11712 (CP2C9_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.301
Assay: DRUGMATRIX: CYP450, 2C9 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)
Drug: idebenone
Target: Cytochrome P450 2C19 (Enzyme)
Gene: CYP2C19
UniProt: P33261 (CP2CJ_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.097
Assay: DRUGMATRIX: CYP450, 2C19 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)
Drug: idoxuridine
Target: Thymidine kinase, cytosolic (Kinase)
Gene: TK1
UniProt: P04183 (KITH_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.05
Assay: Binding affinity constant against HSV-1 thymidine kinase
Drug: idoxuridine
Target: Thymidine kinase (Kinase)
Gene: UL23
UniProt: A3RLP8 (A3RLP8_CHV1)
Organism: Cercopithecine herpesvirus 1
Activity: IC50 = 5.82
Assay: Inhibition of Herpes B virus recombinant thymidine kinase-mediated [3H]TdR phosphorylation
Drug: ifenprodil
Target: Glutamate receptor ionotropic, NMDA 2A (Ion channel)
Gene: GRIN2A
UniProt: Q12879 (NMDE1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.4
Assay: Negative allosteric modulation of human GluN2A receptor expressed in xenopus laevis oocytes assessed as reduction in 3 uM glycine-induced channel current at -40 mV holding potential by two electrode voltage clamp method
Drug: ifenprodil
Target: Sigma non-opioid intracellular receptor 1 (Membrane receptor)
Gene: SIGMAR1
UniProt: Q99720 (SGMR1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8.41
Assay: Compound was tested for the binding affinity against sigma receptor by using [3H]-+3PPP as radioligand
Drug: ifenprodil
Target: Potassium voltage-gated channel subfamily H member 2 (Ion channel)
Gene: KCNH2
UniProt: Q12809 (KCNH2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7
Assay: Inhibition of human ERG
Drug: ifenprodil
Target: Histamine H1 receptor (GPCR)
Gene: HRH1
UniProt: P35367 (HRH1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6
Assay: Compound was tested for the binding affinity against histamine H1 receptor by using [3H]mepyramine as radioligand
Drug: ifenprodil
Target: Glutamate receptor ionotropic, NMDA 2B (Ion channel)
Gene: GRIN2B
UniProt: Q13224 (NMDE2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.7
Assay: Inhibition of NMDA receptor GluN2B subunit (unknown origin)
Drug: ifenprodil
Target: Glutamate receptor ionotropic, NMDA 2C (Ion channel)
Gene: GRIN2C
UniProt: Q14957 (NMDE3_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.54
Assay: Negative allosteric modulation of human GluN2C receptor expressed in xenopus laevis oocytes assessed as reduction in 3 uM glycine-induced channel current at -40 mV holding potential by two electrode voltage clamp method
Drug: ifenprodil
Target: Glutamate receptor ionotropic, NMDA 2D (Ion channel)
Gene: GRIN2D
UniProt: O15399 (NMDE4_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.12
Assay: Negative allosteric modulation of human GluN2D receptor expressed in xenopus laevis oocytes assessed as reduction in 3 uM glycine-induced channel current at -40 mV holding potential by two electrode voltage clamp method