AIM-Harvard/TrialPanorama-filtered huggingface dataset:
Drug: rosiglitazone
Target: Sodium/bile acid cotransporter (Transporter)
Gene: SLC10A1
UniProt: Q14973 (NTCP_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.29
Assay: Inhibition of HA-tagged human NTCP expressed in human U2OS cells assessed as reduction in [14C]taurocholate uptake preincubated for 10 mins followed by [14C] taurocholate addition and further incubation for 10 mins by scintillation counting method
Drug: rosiglitazone
Target: Bile salt export pump (Transporter)
Gene: Abcb11
UniProt: O70127 (ABCBB_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 4.4
Drug: rosiglitazone
Target: CDGSH iron-sulfur domain-containing protein 1 (Unclassified)
Gene: CISD1
UniProt: Q9NZ45 (CISD1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.51
Assay: Displacement of [3H]rosiglitazone from recombinant human C-terminal His-tagged MitoNEET cytosolic domain (32 to 108 residues) expressed in Escherichia coli BL21 by Cheng-Prusoff analysis
Drug: rosiglitazone
Target: CDGSH iron-sulfur domain-containing protein 1 (Unclassified)
Gene: Cisd1
UniProt: B0K020 (CISD1_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 5.96
Assay: Displacement of [3H]rosiglitazone from rat liver mitochondrial mitoNEET by scintillation counting
Drug: rosiglitazone
Target: Peroxisome proliferator-activated receptor alpha (Nuclear hormone receptor)
Gene: Ppara
UniProt: P23204 (PPARA_MOUSE)
Organism: Mus musculus
Activity: IC50 = 7.1
Assay: Activation of mouse liver PPARalpha
Drug: rosiglitazone
Target: CDGSH iron-sulfur domain-containing protein 2 (Unclassified)
Gene: CISD2
UniProt: Q8N5K1 (CISD2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.64
Assay: Binding affinity to recombinant human N-terminal His6-tagged NAF1 expressed in Escherichia coli by scintillation proximity assay
Drug: rosuvastatin
Target: 3-hydroxy-3-methylglutaryl-coenzyme A reductase (Enzyme)
Gene: HMGCR
UniProt: P04035 (HMDH_HUMAN)
Organism: Homo sapiens
Activity: Ki = 9.05
Action type: INHIBITOR
Assay: Inhibitory constant against HMG-CoA reductase
Drug: rosuvastatin
Target: 3-hydroxy-3-methylglutaryl-coenzyme A reductase (Enzyme)
Gene: Hmgcr
UniProt: P51639 (HMDH_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 8.68
Assay: Inhibition of HMG-CoA reductase in rat liver microsomes
Drug: rosuvastatin
Target: Phosphodiesterase 6D (Enzyme)
Gene: PDE6D
UniProt: O43924 (PDE6D_HUMAN)
Organism: Homo sapiens
Activity: Kd = 5.9
Assay: Binding affinity to His6-tagged PDE-delta (unknown origin) measured every 3 mins by fluorescence polarization assay
Drug: rotigotine
Target: D(1A) dopamine receptor (GPCR)
Gene: DRD1
UniProt: P21728 (DRD1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.6
Action type: AGONIST
Drug: rotigotine
Target: D(2) dopamine receptor (GPCR)
Gene: DRD2
UniProt: P14416 (DRD2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 10.22
Action type: AGONIST
Drug: rotigotine
Target: D(3) dopamine receptor (GPCR)
Gene: DRD3
UniProt: P35462 (DRD3_HUMAN)
Organism: Homo sapiens
Activity: Ki = 8.4
Action type: AGONIST
Drug: rotigotine
Target: D(1B) dopamine receptor (GPCR)
Gene: DRD5
UniProt: P21918 (DRD5_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6
Action type: AGONIST
Drug: rotigotine
Target: D(4) dopamine receptor (GPCR)
Gene: DRD4
UniProt: P21917 (DRD4_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.26
Action type: AGONIST
Assay: Binding affinity was evaluated by calculating competition for [3H]spiperone binding on Dopamine receptor D4.2 of CHO K-1 cells.
Drug: rotigotine
Target: D(1A) dopamine receptor (GPCR)
Gene: DRD1
UniProt: Q95136 (DRD1_BOVIN)
Organism: Bos taurus
Activity: Ki = 6.3
Assay: Binding affinity of compound for Dopamine receptor D1 using [3H]-SCH- 23390
Drug: rotigotine
Target: D(2) dopamine receptor (GPCR)
Gene: DRD2
UniProt: P20288 (DRD2_BOVIN)
Organism: Bos taurus
Activity: Ki = 7.82
Assay: Binding affinity of compound for Dopamine receptor D2 using [3H]N-0437
Drug: roxatidine acetate
Target: Histamine H2 receptor (GPCR)
Gene: HRH2
UniProt: P25021 (HRH2_HUMAN)
Organism: Homo sapiens
Activity: Kd = 7.6
Action type: ANTAGONIST
Drug: roxithromycin
Target: 50S ribosomal protein L10 (Ribosomal protein)
Gene: rpl10
UniProt: P15825 (RL10_HALMA)
Organism: Haloarcula marismortui (strain ATCC 43049 / DSM 3752 / JCM 8966 / VKM B-1809)
Drug: roxithromycin
Target: Motilin receptor (GPCR)
Gene: MLNR
UniProt: O43193 (MTLR_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.2
Action type: AGONIST
Drug: roxithromycin
Target: Alpha-1B adrenergic receptor (GPCR)
Gene: Adra1b
UniProt: P15823 (ADA1B_RAT)
Organism: Rattus norvegicus
Activity: Ki = 6.261
Assay: DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)
Drug: rupatadine
Target: Histamine H1 receptor (GPCR)
Gene: HRH1
UniProt: P35367 (HRH1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8.41
Action type: ANTAGONIST
Assay: Inhibitory concentration against histamine H1 receptor
Drug: rupatadine
Target: Platelet-activating factor receptor (GPCR)
Gene: PTAFR
UniProt: P25105 (PTAFR_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.43
Assay: Inhibitory concentration against platelet activating factor receptor
Drug: ademetionine
Target: Protein arginine N-methyltransferase 1 (Enzyme)
Gene: PRMT1
UniProt: Q99873 (ANM1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.92
Assay: Inhibition of GST-fused human recombinant PRMT1 after 90 mins by SDS-PAGE based scintillation counting
Drug: ademetionine
Target: S-adenosylmethionine decarboxylase proenzyme (Enzyme)
Gene: Amd1
UniProt: P17708 (DCAM_RAT)
Organism: Rattus norvegicus
Activity: Ki = 4.22
Assay: In vitro inhibitory activity against S-adenosyl-L-methionine decarboxylase using liver from rat in presence of 1 mM putrescine
Drug: ademetionine
Target: Met repressor (Unclassified)
Gene: metJ
UniProt: C3SIU2 (C3SIU2_ECOLX)
Organism: Escherichia coli
Activity: Kd = 8.4
Assay: Binding affinity to Escherichia coli metJ in presence of operator DNA complex by filter binding study
Drug: ademetionine
Target: Phenylethanolamine N-methyltransferase (Enzyme)
Gene: PNMT
UniProt: P11086 (PNMT_HUMAN)
Organism: Homo sapiens
Activity: Kd = 5.32
Assay: Activity of human wild type PNMT assessed as phenylethanolamine methylation
Drug: ademetionine
Target: Protein-beta-aspartate methyltransferase (Enzyme)
Gene: PCMT1
UniProt: P22061 (PIMT_HUMAN)
Organism: Homo sapiens
Activity: Ki = 4.32
Assay: Kinetic constant was measured for PMII of Leishmania donovani promastigotes using supernatant (S12) fraction
Drug: salicylic acid
Target: Carbonic anhydrase 2 (Enzyme)
Gene: CA2
UniProt: P00918 (CAH2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.15
Assay: Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydrase assay
Drug: salicylic acid
Target: Carbonic anhydrase 1 (Enzyme)
Gene: CA1
UniProt: P00915 (CAH1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5
Assay: Inhibition of human carbonic anhydrase 1 by stopped-flow CO2 hydrase assay
Drug: salicylic acid
Target: Carbonic anhydrase 4 (Enzyme)
Gene: CA4
UniProt: P22748 (CAH4_HUMAN)
Organism: Homo sapiens
Activity: Ki = 4.95
Assay: Inhibition of human carbonic anhydrase 4 by stopped-flow CO2 hydration assay
Drug: salicylic acid
Target: Salicylic acid-binding protein 2 (Enzyme)
Gene: SABP2
UniProt: Q6RYA0 (SABP2_TOBAC)
Organism: Nicotiana tabacum
Drug: salicylic acid
Target: Carbonic anhydrase 9 (Enzyme)
Gene: CA9
UniProt: Q16790 (CAH9_HUMAN)
Organism: Homo sapiens
Activity: Ki = 4.1
Assay: Inhibition of human carbonic anhydrase 9 catalytic domain by stopped-flow CO2 hydration assay
Drug: salicylic acid
Target: Carbonic anhydrase 12 (Enzyme)
Gene: CA12
UniProt: O43570 (CAH12_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.06
Assay: Inhibition of human carbonic anhydrase 12 catalytic domain by stopped-flow CO2 hydration assay
Drug: salicylic acid
Target: Carbonic anhydrase 7 (Enzyme)
Gene: CA7
UniProt: P43166 (CAH7_HUMAN)
Organism: Homo sapiens
Activity: Ki = 4.09
Assay: Inhibition of human carbonic anhydrase 7 by stopped-flow CO2 hydration assay
Drug: salicylic acid
Target: Carbonic anhydrase 6 (Enzyme)
Gene: CA6
UniProt: P23280 (CAH6_HUMAN)
Organism: Homo sapiens
Activity: Ki = 4.92
Assay: Inhibition of human carbonic anhydrase 6 by stopped-flow CO2 hydration assay
Drug: salicylic acid
Target: Carbonic anhydrase 14 (Enzyme)
Gene: CA14
UniProt: Q9ULX7 (CAH14_HUMAN)
Organism: Homo sapiens
Activity: Ki = 4.3
Assay: Inhibition of human carbonic anhydrase 14 by stopped-flow CO2 hydration assay
Drug: salicylic acid
Target: Carbonic anhydrase 13 (Enzyme)
Gene: Ca13
UniProt: Q9D6N1 (CAH13_MOUSE)
Organism: Mus musculus
Activity: Ki = 4.17
Assay: Inhibition of mouse carbonic anhydrase 13 by stopped-flow CO2 hydration assay
Drug: salicylic acid
Target: Polyphenol oxidase 2 (Enzyme)
Gene: PPO2
UniProt: O42713 (PPO2_AGABI)
Organism: Agaricus bisporus
Activity: IC50 = 4
Assay: Inhibition of mushroom tyrosinase after 10 mins
Drug: salicylic acid
Target: Carbonic anhydrase 15 (Enzyme)
Gene: Ca15
UniProt: Q99N23 (CAH15_MOUSE)
Organism: Mus musculus
Activity: Ki = 5.14
Assay: Inhibition of mouse recombinant carbonic anhydrase 15 by stopped-flow CO2 hydrase assay
Drug: salicylic acid
Target: Solute carrier family 22 member 20 (Transporter)
Gene: Slc22a20
UniProt: Q80UJ1 (S22AK_MOUSE)
Organism: Mus musculus
Activity: Ki = 4.36
Assay: Inhibition of mouse Oat6-mediated [3H]ES uptake in Xenopus oocytes after 1 hr
Drug: salicylic acid
Target: High mobility group protein B1 (Nuclear other)
Gene: HMGB1
UniProt: P09429 (HMGB1_HUMAN)
Organism: Homo sapiens
Activity: Kd = 6
Assay: Binding affinity to recombinant HMGB1 box A (unknown origin)
Drug: salicylic acid
Target: Nicotinate phosphoribosyltransferase (Enzyme)
Gene: NAPRT
UniProt: Q6XQN6 (PNCB_HUMAN)
Organism: Homo sapiens
Activity: Ki = 9.8
Assay: Inhibition of NAPRT (unknown origin)
Drug: salmeterol
Target: Beta-1 adrenergic receptor (GPCR)
Gene: ADRB1
UniProt: P08588 (ADRB1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.1
Assay: Displacement of [3H]CGP12177 from human beta-1 adrenoceptor
Drug: salmeterol
Target: Beta-2 adrenergic receptor (GPCR)
Gene: ADRB2
UniProt: P07550 (ADRB2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 9.41
Action type: AGONIST
Assay: Displacement of [125I]cyanopindolol from human recombinant beta2 adrenergic receptor expressed in CHO cells by filtration assay
Drug: salmeterol
Target: D(2) dopamine receptor (GPCR)
Gene: DRD2
UniProt: P14416 (DRD2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 4.5
Assay: Displacement of [3H]spiperone from human D2S receptor expressed in CHO cells
Drug: salmeterol
Target: D(3) dopamine receptor (GPCR)
Gene: DRD3
UniProt: P35462 (DRD3_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.98
Drug: salmeterol
Target: Aldehyde oxidase (Enzyme)
Gene: AOX1
UniProt: Q06278 (AOXA_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.004
Drug: salmeterol
Target: Beta-3 adrenergic receptor (GPCR)
Gene: ADRB3
UniProt: P13945 (ADRB3_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 6
Assay: Agonist activity at human recombinant beta3 receptor assessed as cAMP accumulation by radioimmunoassay and cell based assay
Drug: salmeterol
Target: Beta-2 adrenergic receptor (GPCR)
Gene: Adrb2
UniProt: Q8K4Z4 (ADRB2_CAVPO)
Organism: Cavia porcellus
Activity: EC50 = 7.5
Assay: Agonist activity at beta2 receptor in guinea pig trachea assessed as slow onset of inhibition of electrically stimulated contraction
Drug: salmeterol
Target: Beta-1 adrenergic receptor (GPCR)
Gene: Adrb1
UniProt: P34971 (ADRB1_MOUSE)
Organism: Mus musculus
Activity: Ki = 6.26
Assay: Displacement of [3H]-CGP-12177 from murine beta1-adrenergic receptor expressed in HEK293T cells after 60 mins by radioligand competition binding assay
Drug: saquinavir
Target: Mu-type opioid receptor (GPCR)
Gene: OPRM1
UniProt: P35372 (OPRM_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.408
Assay: DRUGMATRIX: Opiate mu (OP3, MOP) radioligand binding (ligand: [3H] Diprenorphine)
Drug: saquinavir
Target: Cytochrome P450 3A4 (Enzyme)
Gene: CYP3A4
UniProt: P08684 (CP3A4_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.824
Drug: saquinavir
Target: Multidrug resistance protein 1 (Transporter)
Gene: ABCB1
UniProt: P08183 (MDR1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.921
Drug: saquinavir
Target: 5-hydroxytryptamine receptor 1A (GPCR)
Gene: HTR1A
UniProt: P08908 (5HT1A_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.612
Assay: DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1A radioligand binding (ligand: [3H] 8-OH-DPAT)
Drug: saquinavir
Target: D(3) dopamine receptor (GPCR)
Gene: DRD3
UniProt: P35462 (DRD3_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.282
Assay: DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)
Drug: saquinavir
Target: Canalicular multispecific organic anion transporter 1 (Transporter)
Gene: ABCC2
UniProt: Q92887 (MRP2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.699
Drug: saquinavir
Target: Sodium-dependent dopamine transporter (Transporter)
Gene: SLC6A3
UniProt: Q01959 (SC6A3_HUMAN)
Organism: Homo sapiens
Activity: Ki = 4.555
Assay: DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)
Drug: saquinavir
Target: Kappa-type opioid receptor (GPCR)
Gene: OPRK1
UniProt: P41145 (OPRK_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.556
Assay: DRUGMATRIX: Opiate kappa (OP2, KOP) radioligand binding (ligand: [3H] Diprenorphine)
Drug: saquinavir
Target: Multidrug resistance-associated protein 1 (Transporter)
Gene: ABCC1
UniProt: P33527 (MRP1_HUMAN)
Organism: Homo sapiens
Drug: saquinavir
Target: Delta-type opioid receptor (GPCR)
Gene: OPRD1
UniProt: P41143 (OPRD_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.003
Assay: DRUGMATRIX: Opiate delta1 (OP1, DOP) radioligand binding (ligand: [3H] Naltrindole)
Drug: saquinavir
Target: Vasopressin V1a receptor (GPCR)
Gene: AVPR1A
UniProt: P37288 (V1AR_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.153
Assay: DRUGMATRIX: Vasopressin V1A radioligand binding (ligand: [125I] PhenylacetylTyr(Me)PheGlnAsnArgProArgTyr)
Drug: saquinavir
Target: Gag-Pol polyprotein (Polyprotein)
Gene: gag-pol
UniProt: P03367 (POL_HV1BR)
Organism: Human immunodeficiency virus type 1 group M subtype B (isolate BRU/LAI)
Activity: Ki = 10.187
Drug: saquinavir
Target: Thromboxane-A synthase (Enzyme)
Gene: TBXAS1
UniProt: P24557 (THAS_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.661
Assay: DRUGMATRIX: Thromboxane Synthetase enzyme inhibition (substrate: PGH2)
Drug: saquinavir
Target: Substance-K receptor (GPCR)
Gene: TACR2
UniProt: P21452 (NK2R_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.684
Assay: DRUGMATRIX: Tachykinin NK2  radioligand binding (ligand: [3H] SR-48968)
Drug: saquinavir
Target: Pol polyprotein (Enzyme)
Gene: pol
UniProt: Q72874 (Q72874_9HIV1)
Organism: Human immunodeficiency virus 1
Activity: Ki = 10.4
Action type: INHIBITOR
Assay: Inhibition of HIV protease
Drug: saquinavir
Target: 5-hydroxytryptamine receptor 1A (GPCR)
Gene: Htr1a
UniProt: P19327 (5HT1A_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 5.37
Drug: saquinavir
Target: Protease (Enzyme)
Gene: protease
UniProt: Q4U254 (Q4U254_9ENTO)
Organism: Human rhinovirus sp
Activity: IC50 = 9.3
Assay: Compound was evaluated for inhibitory activity against HIV-2 protease
Drug: saquinavir
Target: Protease (Enzyme)
Gene: protease
UniProt: Q9YQ12 (Q9YQ12_9HIV1)
Organism: Human immunodeficiency virus 1
Activity: Ki = 10.4
Assay: Inhibition of wild-type HIV1 BH10 protease expressed in Escherichia coli by spectrophotometric assay
Drug: saquinavir
Target: Chloroquine resistance transporter (Transporter)
Gene: CRT
UniProt: Q9N623 (CRT_PLAFA)
Organism: Plasmodium falciparum
Activity: IC50 = 4.89
Assay: Inhibition of chloroquine-resistant Plasmodium falciparum Dd2 CRT expressed in Xenopus laevis oocyte assessed as inhibition of [3H]chloroquine uptake measured from 1 to 2 hrs
Drug: saquinavir
Target: Protease (Unclassified)
Gene: HIV-1 protease
UniProt: O90781 (O90781_9PLVG)
Organism: Human immunodeficiency virus
Activity: Ki = 9.66
Assay: Inhibition of HIV1 recombinant protease V32I/I47A mutant expressed in Escherichia coli by spectrophotometric assay
Drug: saquinavir
Target: Protease (Unclassified)
Gene: HIV-1 protease
UniProt: Q9YQ30 (Q9YQ30_9PLVG)
Organism: Human immunodeficiency virus
Activity: Ki = 8.54
Assay: Inhibition of HIV1 recombinant protease L10I/I15V/E35D/N37S/R41K/I62V/L63P/A71V/G73S/L90M mutant expressed in Escherichia coli by spectrophotometric assay
Drug: sarpogrelate
Target: 5-hydroxytryptamine receptor 2A (GPCR)
Gene: HTR2A
UniProt: P28223 (5HT2A_HUMAN)
Organism: Homo sapiens
Activity: Ki = 8.5
Action type: ANTAGONIST
Drug: sarpogrelate
Target: 5-hydroxytryptamine receptor 2B (GPCR)
Gene: HTR2B
UniProt: P41595 (5HT2B_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.6
Action type: ANTAGONIST
Drug: sarpogrelate
Target: 5-hydroxytryptamine receptor 2C (GPCR)
Gene: HTR2C
UniProt: P28335 (5HT2C_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.4
Action type: ANTAGONIST
Drug: sarpogrelate
Target: Serotonin 2 (5-HT2) receptor (GPCR)
Gene: Htr2c|Htr2a|Htr2b
UniProt: P08909|P14842|P30994 (5HT2C_RAT|5HT2A_RAT|5HT2B_RAT)
Organism: Rattus norvegicus
Activity: Ki = 7.75
Assay: Inhibition of 5-hydroxytryptamine 2 induced vasoconstriction of rat caudal artery.
Drug: scopolamine
Target: Muscarinic acetylcholine receptor M1 (GPCR)
Gene: CHRM1
UniProt: P11229 (ACM1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 9
Action type: ANTAGONIST
Drug: scopolamine
Target: Muscarinic acetylcholine receptor M2 (GPCR)
Gene: CHRM2
UniProt: P08172 (ACM2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 8.86
Drug: scopolamine
Target: Muscarinic acetylcholine receptor M3 (GPCR)
Gene: CHRM3
UniProt: P20309 (ACM3_HUMAN)
Organism: Homo sapiens
Activity: Ki = 9.4
Drug: scopolamine
Target: Muscarinic acetylcholine receptor M4 (GPCR)
Gene: CHRM4
UniProt: P08173 (ACM4_HUMAN)
Organism: Homo sapiens
Activity: Ki = 9.37
Drug: scopolamine
Target: Muscarinic acetylcholine receptor M5 (GPCR)
Gene: CHRM5
UniProt: P08912 (ACM5_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.75
Assay: Displacement of [3H]NMS from human M5 muscarinic receptor expressed in CHO-K1 cells
Drug: scopolamine
Target: Muscarinic acetylcholine receptor M2 (GPCR)
Gene: Chrm2
UniProt: P10980 (ACM2_RAT)
Organism: Rattus norvegicus
Activity: Kd = 8.52
Assay: In vitro receptor binding against Muscarinic acetylcholine receptor M2 in rat heart was determined using [3H]pirenzepine
Drug: scopolamine
Target: Muscarinic acetylcholine receptor M1 (GPCR)
Gene: Chrm1
UniProt: P08482 (ACM1_RAT)
Organism: Rattus norvegicus
Activity: Ki = 9.28
Assay: Binding affinity towards rat Muscarinic acetylcholine receptor M1 was determined
Drug: scopolamine
Target: Muscarinic acetylcholine receptor M3 (GPCR)
Gene: Chrm3
UniProt: P08483 (ACM3_RAT)
Organism: Rattus norvegicus
Activity: Kd = 9.19
Assay: In vitro receptor binding against Muscarinic acetylcholine receptor M3 in rat submandibular gland was determined using [3H]pirenzepine
Drug: scopolamine
Target: Muscarinic receptor M1 (GPCR)
UniProt: Q8WMX0 (Q8WMX0_BOVIN)
Organism: Bos taurus
Activity: Ki = 9.39
Assay: Binding affinity towards Muscarinic acetylcholine receptor M1 was determined in calf brain membrane
Drug: scopolamine
Target: Muscarinic acetylcholine receptor DM1 (GPCR)
Gene: mAChR-A
UniProt: P16395 (ACM1_DROME)
Organism: Drosophila melanogaster
Activity: Ki = 9.15
Assay: Displacement of [3H]AF-DX 384 from Drosophila melanogaster mAChR by scintillation counting
Drug: scopolamine
Target: Muscarinic acetylcholine receptor (GPCR)
Gene: Chrm1|Chrm3|Chrm4|Chrm5|Chrm2
UniProt: P08482|P08483|P08485|P08911|P10980 (ACM1_RAT|ACM3_RAT|ACM4_RAT|ACM5_RAT|ACM2_RAT)
Organism: Rattus norvegicus
Activity: Ki = 10.1
Assay: Inhibition of [3H]pirenzepine binding to muscarinic receptor in rat cortical homogenates
Drug: secnidazole
Target: 3-oxoacyl-[acyl-carrier-protein] synthase 3 (Enzyme)
Gene: fabH
UniProt: C3TDZ2 (C3TDZ2_ECOLX)
Organism: Escherichia coli
Activity: IC50 = 4.55
Assay: Inhibition of N-terminal His-tagged Escherichia coli FabH expressed in Escherichia coli BL21 (DE3) using [3H]acetyl-coA after 25 mins by liquid scintillation counting
Drug: secobarbital
Target: Matrix metalloproteinase-9 (Enzyme)
Gene: MMP9
UniProt: P14780 (MMP9_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.578
Assay: DRUGMATRIX: Protease, Matrix Metalloprotease-9 (MMP-9) enzyme inhibition (substrate: Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2)
Drug: secobarbital
Target: GABA-A receptor alpha-1/beta-2/gamma-2 (Ion channel)
Gene: GABRA1|GABRG2|GABRB2
UniProt: P14867|P18507|P47870 (GBRA1_HUMAN|GBRG2_HUMAN|GBRB2_HUMAN)
Organism: Homo sapiens
Action type: POSITIVE ALLOSTERIC MODULATOR
Drug: selegiline
Target: Alpha-2A adrenergic receptor (GPCR)
Gene: ADRA2A
UniProt: P08913 (ADA2A_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.171
Assay: DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)
Drug: selegiline
Target: Alpha-2B adrenergic receptor (GPCR)
Gene: ADRA2B
UniProt: P18089 (ADA2B_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.764
Assay: DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)
Drug: selegiline
Target: Amine oxidase [flavin-containing] B (Enzyme)
Gene: MAOB
UniProt: P27338 (AOFB_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.26
Action type: INHIBITOR
Assay: Irreversible inhibition of recombinant human MAO-B expressed in baculovirus infected BT1 cells using benzylamine as substrate at 200 uM preincubated for 30 mins by Lineweaver-Burk plot analysis
Drug: selegiline
Target: Amine oxidase [flavin-containing] A (Enzyme)
Gene: MAOA
UniProt: P21397 (AOFA_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.04
Assay: Inhibition of human MAO-A expressed in BTI insect cells using p-tyramine as substrate after 60 mins
Drug: selegiline
Target: Amine oxidase [flavin-containing] B (Enzyme)
Gene: Maob
UniProt: P19643 (AOFB_RAT)
Organism: Rattus norvegicus
Activity: Ki = 5.87
Assay: Inhibition of MAO-B in rat liver homogenate after 60 mins by Lineweaver-Burke plot
Drug: selegiline
Target: Amine oxidase [flavin-containing] A (Enzyme)
Gene: Maoa
UniProt: P21396 (AOFA_RAT)
Organism: Rattus norvegicus
Activity: Ki = 4.98
Assay: Competitive inhibition of rat liver MAO-A after 60 mins using p-tyramine as substrate by spectrophotometry
Drug: selegiline
Target: Amine oxidase [flavin-containing] A (Enzyme)
Gene: MAOA
UniProt: P21398 (AOFA_BOVIN)
Organism: Bos taurus
Activity: Ki = 5.42
Assay: Inhibition of bovine brain mitochondria MAOA by fluorometric assay
Drug: selegiline
Target: Amine oxidase [flavin-containing] B (Enzyme)
Gene: MAOB
UniProt: P56560 (AOFB_BOVIN)
Organism: Bos taurus
Activity: Ki = 6.01
Assay: Inhibitory activity against monoamine oxidase B in isolated bovine brain mitochondria
Drug: selegiline
Target: Monoamine oxidase (Enzyme)
Gene: Maob|Maoa
UniProt: P19643|P21396 (AOFB_RAT|AOFA_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 7.89
Assay: In vitro inhibition of Monoamine oxidase at rat hyphalamic mitochondrial PEA by displacing 2.5 uM of [14C]PEA.
Drug: seratrodast
Target: Thromboxane A2 receptor (GPCR)
Gene: TBXA2R
UniProt: P21731 (TA2R_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8.13
Assay: In vitro concentration that reduced specific binding of [3H]U-440619 to guinea pig platelet receptor, TXA2 by 50%
Drug: sermorelin
Target: Growth hormone-releasing hormone receptor (GPCR)
Gene: GHRHR
UniProt: Q02643 (GHRHR_HUMAN)
Organism: Homo sapiens
Action type: AGONIST
Drug: sertaconazole
Target: Lanosterol 14-alpha demethylase (Enzyme)
Gene: ERG11
UniProt: P10613 (CP51_CANAL)
Organism: Candida albicans (strain SC5314 / ATCC MYA-2876)
Action type: INHIBITOR
Drug: sertaconazole
Target: Indoleamine 2,3-dioxygenase 1 (Enzyme)
Gene: IDO1
UniProt: P14902 (I23O1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.08
Drug: sertindole
Target: Beta-1 adrenergic receptor (GPCR)
Gene: ADRB1
UniProt: P08588 (ADRB1_HUMAN)
Organism: Homo sapiens
Activity: Ki  5.301
Drug: sertindole
Target: Beta-2 adrenergic receptor (GPCR)
Gene: ADRB2
UniProt: P07550 (ADRB2_HUMAN)
Organism: Homo sapiens
Activity: Ki  5.301
Drug: sertindole
Target: D(1A) dopamine receptor (GPCR)
Gene: DRD1
UniProt: P21728 (DRD1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.68
Assay: Binding affinity towards human Dopamine receptor D1
Drug: sertindole
Target: Alpha-2A adrenergic receptor (GPCR)
Gene: ADRA2A
UniProt: P08913 (ADA2A_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.194