AIM-Harvard/TrialPanorama-filtered huggingface dataset:
Drug: amoxapine
Target: 5-hydroxytryptamine receptor 3A (Ion channel)
Gene: HTR3A
UniProt: P46098 (5HT3A_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.57
Assay: DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT3 radioligand binding (ligand: [3H] GR-65630)
Drug: amoxapine
Target: Sodium- and chloride-dependent glycine transporter 2 (Transporter)
Gene: SLC6A5
UniProt: Q9Y345 (SC6A5_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.036
Drug: amoxapine
Target: Alpha-1B adrenergic receptor (GPCR)
Gene: Adra1b
UniProt: P15823 (ADA1B_RAT)
Organism: Rattus norvegicus
Activity: Ki = 7.222
Assay: DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)
Drug: amoxapine
Target: Alpha-1A adrenergic receptor (GPCR)
Gene: Adra1a
UniProt: P43140 (ADA1A_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 6.45
Drug: amoxapine
Target: 5-hydroxytryptamine receptor 2A (GPCR)
Gene: Htr2a
UniProt: P14842 (5HT2A_RAT)
Organism: Rattus norvegicus
Activity: Ki = 9
Action type: ANTAGONIST
Drug: amoxapine
Target: 5-hydroxytryptamine receptor 7 (GPCR)
Gene: Htr7
UniProt: P32305 (5HT7R_RAT)
Organism: Rattus norvegicus
Activity: Ki = 7.4
Action type: ANTAGONIST
Drug: amoxapine
Target: 5-hydroxytryptamine receptor 2C (GPCR)
Gene: Htr2c
UniProt: P08909 (5HT2C_RAT)
Organism: Rattus norvegicus
Activity: Ki = 8.7
Action type: ANTAGONIST
Drug: amoxapine
Target: 5-hydroxytryptamine receptor 6 (GPCR)
Gene: Htr6
UniProt: P31388 (5HT6R_RAT)
Organism: Rattus norvegicus
Activity: Ki = 8.2
Action type: ANTAGONIST
Drug: amoxapine
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
Drug: amoxicillin
Target: 5-hydroxytryptamine receptor 2A (GPCR)
Gene: HTR2A
UniProt: P28223 (5HT2A_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.22
Drug: amoxicillin
Target: 5-hydroxytryptamine receptor 2B (GPCR)
Gene: HTR2B
UniProt: P41595 (5HT2B_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.96
Drug: amoxicillin
Target: 5-hydroxytryptamine receptor 2C (GPCR)
Gene: HTR2C
UniProt: P28335 (5HT2C_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.8
Drug: amoxicillin
Target: Penicillin-binding protein 1A (Enzyme)
Gene: pbpA
UniProt: Q8XJ01 (PBPA_CLOPE)
Organism: Clostridium perfringens (strain 13 / Type A)
Drug: amoxicillin
Target: Bacterial penicillin-binding protein (Enzyme)
Gene: mrcA|mrcB|dacC|mrdA|ftsI|dacA|dacB
UniProt: P02918|P02919|P08506|P0AD65|P0AD68|P0AEB2|P24228 (PBPA_ECOLI|PBPB_ECOLI|DACC_ECOLI|PBP2_ECOLI|FTSI_ECOLI|DACA_ECOLI|DACB_ECOLI)
Organism: Escherichia coli (strain K12)
Action type: INHIBITOR
Assay: Mechanism of Action; CHEMBL2354204; PROTEIN FAMILY
Drug: amperozide
Target: Fatty-acid amide hydrolase 1 (Enzyme)
Gene: FAAH
UniProt: O00519 (FAAH1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.34
Assay: Inhibition of human FAAH-mediated hydrolysis of [3H]AEA
Drug: amperozide
Target: 5-hydroxytryptamine receptor 6 (GPCR)
Gene: HTR6
UniProt: P50406 (5HT6R_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.796
Drug: amfetamine
Target: Alpha-2A adrenergic receptor (GPCR)
Gene: ADRA2A
UniProt: P08913 (ADA2A_HUMAN)
Organism: Homo sapiens
Drug: amfetamine
Target: Sodium-dependent serotonin transporter (Transporter)
Gene: SLC6A4
UniProt: P31645 (SC6A4_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.753
Drug: amfetamine
Target: Sodium-dependent noradrenaline transporter (Transporter)
Gene: SLC6A2
UniProt: P23975 (SC6A2_HUMAN)
Organism: Homo sapiens
Action type: RELEASING AGENT
Assay: Mechanism of Action; CHEMBL222; SINGLE PROTEIN
Drug: amfetamine
Target: Alpha-1A adrenergic receptor (GPCR)
Gene: ADRA1A
UniProt: P35348 (ADA1A_HUMAN)
Organism: Homo sapiens
Drug: amfetamine
Target: Sodium-dependent dopamine transporter (Transporter)
Gene: SLC6A3
UniProt: Q01959 (SC6A3_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.936
Action type: RELEASING AGENT
Drug: amfetamine
Target: Cocaine- and amphetamine-regulated transcript protein (Transcription factor)
Gene: CARTPT
UniProt: Q16568 (CART_HUMAN)
Organism: Homo sapiens
Drug: amfetamine
Target: Sodium-dependent dopamine transporter (Transporter)
Gene: Slc6a3
UniProt: P23977 (SC6A3_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 6.02
Assay: Inhibition of [3H]dopamine uptake at dopamine transporter expressed in rat striatal homogenate after 5 mins by scintillation counting analysis
Drug: amfetamine
Target: Amine oxidase [flavin-containing] A (Enzyme)
Gene: Maoa
UniProt: P21396 (AOFA_RAT)
Organism: Rattus norvegicus
Activity: Ki = 4.91
Assay: Inhibition of MAOA in rat brain mitochondria
Drug: amfetamine
Target: Sodium-dependent noradrenaline transporter (Transporter)
Gene: Slc6a2
UniProt: O55192 (SC6A2_MOUSE)
Organism: Mus musculus
Activity: IC50 = 6
Assay: Inhibition of noradrenaline transporter in NMRI albino mouse brain assessed as [3H]NA accumulation in hypothalamus after 5 mins
Drug: amfetamine
Target: 5-hydroxytryptamine receptor 2B (GPCR)
Gene: Htr2b
UniProt: P30994 (5HT2B_RAT)
Organism: Rattus norvegicus
Activity: Kd = 5.27
Assay: Affinity against serotonergic receptor in the isolated rat stomach fundus
Drug: amfetamine
Target: Sodium-dependent serotonin transporter (Transporter)
Gene: Slc6a4
UniProt: Q60857 (SC6A4_MOUSE)
Organism: Mus musculus
Activity: IC50 = 4.35
Assay: Inhibition of 5-HT transporter in NMRI albino mouse brain assessed as [3H]5-HT accumulation in hypothalamus after 5 mins
Drug: amfetamine
Target: Transporter (Transporter)
Gene: NET
UniProt: Q63380 (Q63380_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 6.7
Assay: Inhibition of [3H]norepinephrine uptake at NET expressed in rat hypothalamic homogenate containing synaptosomes after 5 mins by scintillation counting analysis
Drug: amfetamine
Target: Serotonin (5-HT) receptor (GPCR)
Gene: Htr2c|Htr2a|Htr1a|Htr1b|Htr1d|Htr1f|Htr2b|Htr6|Htr7|Htr5a|Htr5b|Htr3a|Htr4|Htr3b
UniProt: P08909|P14842|P19327|P28564|P28565|P30940|P30994|P31388|P32305|P35364|P35365|P35563|Q62758|Q9JJ16 (5HT2C_RAT|5HT2A_RAT|5HT1A_RAT|5HT1B_RAT|5HT1D_RAT|5HT1F_RAT|5HT2B_RAT|5HT6R_RAT|5HT7R_RAT|5HT5A_RAT|5HT5B_RAT|5HT3A_RAT|5HT4R_RAT|5HT3B_RAT)
Organism: Rattus norvegicus
Activity: Kd = 5.27
Assay: Affinity against 5-hydroxytryptamine receptors in rat fundus model
Drug: amfetamine
Target: Serotonin 1 (5-HT1) receptor (GPCR)
Gene: Htr1a|Htr1b|Htr1d|Htr1f
UniProt: P19327|P28564|P28565|P30940 (5HT1A_RAT|5HT1B_RAT|5HT1D_RAT|5HT1F_RAT)
Organism: Rattus norvegicus
Activity: Ki = 5.12
Assay: Evaluated for binding affinity towards rat cortical membranes at 5-hydroxytryptamine 1 receptor binding site by using [3H]-5-HT as a radioligand.
Drug: amfetamine
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 = 4.37
Assay: Binding affinity to rat cortical membranes at 5-hydroxytryptamine 2 (5-HT2) receptor using [3H]KET as a radioligand
Drug: amfetamine
Target: Trace amine-associated receptor 1 (GPCR)
Gene: TAAR1
UniProt: Q96RJ0 (TAAR1_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 6.222
Action type: AGONIST
Assay: (S) enantiomer activation of hTAAR1 in RD-HGA16 cells
Drug: ampicillin
Target: Penicillin-binding protein 1A (Enzyme)
Gene: pbpA
UniProt: Q8XJ01 (PBPA_CLOPE)
Organism: Clostridium perfringens (strain 13 / Type A)
Drug: ampicillin
Target: Angiopoietin-1 receptor (Kinase)
Gene: TEK
UniProt: Q02763 (TIE2_HUMAN)
Organism: Homo sapiens
Activity: Kd = 4.09
Assay: Binding affinity to human recombinant Tie2 by SPR assay
Drug: ampicillin
Target: Transient receptor potential cation channel subfamily M member 4 (Ion channel)
Gene: TRPM4
UniProt: Q8TD43 (TRPM4_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.72
Assay: GRAC: human TRPM4 blocker
Drug: ampicillin
Target: Bacterial penicillin-binding protein (Enzyme)
Gene: mrcA|mrcB|dacC|mrdA|ftsI|dacA|dacB
UniProt: P02918|P02919|P08506|P0AD65|P0AD68|P0AEB2|P24228 (PBPA_ECOLI|PBPB_ECOLI|DACC_ECOLI|PBP2_ECOLI|FTSI_ECOLI|DACA_ECOLI|DACB_ECOLI)
Organism: Escherichia coli (strain K12)
Action type: INHIBITOR
Assay: Mechanism of Action; CHEMBL2354204; PROTEIN FAMILY
Drug: amprenavir
Target: Cytochrome P450 3A4 (Enzyme)
Gene: CYP3A4
UniProt: P08684 (CP3A4_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6
Assay: DRUGMATRIX: CYP450, 3A4 enzyme inhibition (substrate: 7-Benzyloxy-4-(trifluoromethyl)-coumarin)
Drug: amprenavir
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)
Drug: amprenavir
Target: Thromboxane-A synthase (Enzyme)
Gene: TBXAS1
UniProt: P24557 (THAS_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.172
Assay: DRUGMATRIX: Thromboxane Synthetase enzyme inhibition (substrate: PGH2)
Drug: amprenavir
Target: Cathepsin D (Enzyme)
Gene: CTSD
UniProt: P07339 (CATD_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.82
Assay: Inhibition of human cathepsin D
Drug: amprenavir
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: amprenavir
Target: Protease (Enzyme)
Gene: protease
UniProt: Q9YQ12 (Q9YQ12_9HIV1)
Organism: Human immunodeficiency virus 1
Activity: Ki = 10.44
Assay: Inhibition of HIV1 protease
Drug: amprenavir
Target: Protease (Unclassified)
Gene: HIV-1 protease
UniProt: O90781 (O90781_9PLVG)
Organism: Human immunodeficiency virus
Activity: Ki = 10.52
Assay: Inhibition of HIV1 protease I50V, A71V mutant by FRET assay
Drug: amprenavir
Target: Protease (Unclassified)
Gene: HIV-1 protease
UniProt: Q9YQ30 (Q9YQ30_9PLVG)
Organism: Human immunodeficiency virus
Activity: Ki = 9.82
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: amrinone
Target: cGMP-inhibited 3',5'-cyclic phosphodiesterase A (Enzyme)
Gene: PDE3A
UniProt: Q14432 (PDE3A_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.78
Action type: INHIBITOR
Drug: amrinone
Target: Dual specificity protein kinase TTK (Kinase)
Gene: TTK
UniProt: P33981 (TTK_HUMAN)
Organism: Homo sapiens
Activity: Ki = 4.09
Assay: Inhibition of full length human Mps1 using fluorescence-labeled H236 peptide as substrate after 60 to 90 mins in presence of ATP by fluorescence assay based Cheng-Prusoff equation analysis
Drug: amrinone
Target: cGMP-inhibited 3',5'-cyclic phosphodiesterase B (Enzyme)
Gene: PDE3B
UniProt: Q13370 (PDE3B_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.51
Action type: INHIBITOR
Drug: amrinone
Target: Phosphodiesterase 4 (Enzyme)
Gene: PDE4A|PDE4B|PDE4C|PDE4D
UniProt: P27815|Q07343|Q08493|Q08499 (PDE4A_HUMAN|PDE4B_HUMAN|PDE4C_HUMAN|PDE4D_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.39
Assay: Inhibition of canine heart Phosphodiesterase 4
Drug: amsacrine
Target: Potassium voltage-gated channel subfamily H member 2 (Ion channel)
Gene: KCNH2
UniProt: Q12809 (KCNH2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.68
Assay: Inhibition of human ERG potassium channel
Drug: amsacrine
Target: Cytochrome P450 2D6 (Enzyme)
Gene: CYP2D6
UniProt: P10635 (CP2D6_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.12
Drug: amsacrine
Target: DNA topoisomerase 2-alpha (Enzyme)
Gene: TOP2A
UniProt: P11388 (TOP2A_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5
Assay: Inhibition of human DNA topoisomerase 2-mediated Crithidia fasciculata kDNA decatenation using ethidium bromide staining by agarose gel electrophoresis
Drug: amsacrine
Target: DNA topoisomerase I, mitochondrial (Enzyme)
Gene: TOP1MT
UniProt: Q969P6 (TOP1M_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.43
Drug: amsacrine
Target: DNA topoisomerase 1 (Enzyme)
Gene: TOP1
UniProt: P11387 (TOP1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.43
Drug: amsacrine
Target: DNA topoisomerase 2-beta (Enzyme)
Gene: TOP2B
UniProt: Q02880 (TOP2B_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 4.96
Assay: Inhibition of calf thymus DNA/ethidium bromide complex formation.
Drug: amsacrine
Target: Solute carrier family 22 member 1 (Transporter)
Gene: SLC22A1
UniProt: O15245 (S22A1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.3
Assay: Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells by confocal microscopy
Drug: amsacrine
Target: DNA topoisomerase II (Enzyme)
Gene: TOP2A|TOP2B
UniProt: P11388|Q02880 (TOP2A_HUMAN|TOP2B_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 6.14
Assay: Tested for inhibition of topoisomerase II isolated from HeLa cells by DNA-cleavage assay
Drug: anagrelide
Target: cGMP-inhibited 3',5'-cyclic phosphodiesterase A (Enzyme)
Gene: PDE3A
UniProt: Q14432 (PDE3A_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.27
Action type: INHIBITOR
Drug: anagrelide
Target: cGMP-dependent 3',5'-cyclic phosphodiesterase (Enzyme)
Gene: PDE2A
UniProt: O00408 (PDE2A_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.47
Assay: Inhibition of human platelet PDE by inhibiting cyclic Guanosine monophosphate (cGMP) hydrolysis
Drug: anastrozole
Target: Aromatase (Enzyme)
Gene: CYP19A1
UniProt: P11511 (CP19A_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.222
Action type: INHIBITOR
Drug: androisoxazole
Target: Androgen receptor (Nuclear hormone receptor)
Gene: AR
UniProt: P10275 (ANDR_HUMAN)
Organism: Homo sapiens
Drug: androstenediol
Target: Estrogen receptor (Nuclear hormone receptor)
Gene: ESR1
UniProt: P03372 (ESR1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.74
Assay: Binding affinity at human recombinant ERalpha
Drug: androstenediol
Target: Androgen receptor (Nuclear hormone receptor)
Gene: AR
UniProt: P10275 (ANDR_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.64
Assay: Binding affinity at AR
Drug: androstenediol
Target: Estrogen receptor beta (Nuclear hormone receptor)
Gene: ESR2
UniProt: Q92731 (ESR2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8
Assay: Binding affinity at human recombinant ERbeta
Drug: androstenediol
Target: Corticosteroid-binding globulin (Secreted)
Gene: SERPINA6
UniProt: P08185 (CBG_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5
Drug: androstenediol
Target: Sex hormone-binding globulin (Secreted)
Gene: SHBG
UniProt: P04278 (SHBG_HUMAN)
Organism: Homo sapiens
Activity: Kd = 9.17
Assay: Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin
Drug: androstenediol
Target: Androgen receptor (Transcription factor)
Gene: Ar
UniProt: P15207 (ANDR_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 5.86
Assay: Inhibitory concentration against recombinant rat androgen receptor expressed in Escherichia coli using [3H]methyltrienolone (R 1881)
Drug: androstenedione
Target: Aromatase (Enzyme)
Gene: CYP19A1
UniProt: P11511 (CP19A_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.7
Assay: Binding affinity for aromatase cytochrome P45019A1 by analysis of Dixon plot
Drug: androstenedione
Target: Corticosteroid-binding globulin (Secreted)
Gene: SERPINA6
UniProt: P08185 (CBG_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.76
Drug: androstenedione
Target: Sex hormone-binding globulin (Secreted)
Gene: SHBG
UniProt: P04278 (SHBG_HUMAN)
Organism: Homo sapiens
Activity: Kd = 7.46
Assay: Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin
Drug: androstenedione
Target: Testosterone 17-beta-dehydrogenase 3 (Enzyme)
Gene: HSD17B3
UniProt: P37058 (DHB3_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.31
Assay: Ability to inhibit the Type-3 17-beta- hydroxysteroid dehydrogenase activity transfected in human embryonic kidney (HEK)-293 cells experiment 3
Drug: androstenedione
Target: Androgen receptor (Transcription factor)
Gene: Ar
UniProt: P15207 (ANDR_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 5.89
Assay: Inhibitory concentration against recombinant rat androgen receptor expressed in Escherichia coli using [3H]methyltrienolone (R 1881)
Drug: androstenedione
Target: Testosterone 17-beta-dehydrogenase 3 (Enzyme)
Gene: Hsd17b3
UniProt: O54939 (DHB3_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 6.77
Drug: anecortave
Target: Plasminogen activator inhibitor 1 (Secreted)
Gene: SERPINE1
UniProt: P05121 (PAI1_HUMAN)
Organism: Homo sapiens
Drug: anhydrovinblastine
Target: Multidrug resistance protein 1 (Transporter)
Gene: ABCB1
UniProt: P08183 (MDR1_HUMAN)
Organism: Homo sapiens
Drug: anhydrovinblastine
Target: Canalicular multispecific organic anion transporter 1 (Transporter)
Gene: ABCC2
UniProt: Q92887 (MRP2_HUMAN)
Organism: Homo sapiens
Drug: anhydrovinblastine
Target: Multidrug resistance-associated protein 1 (Transporter)
Gene: ABCC1
UniProt: P33527 (MRP1_HUMAN)
Organism: Homo sapiens
Drug: anhydrovinblastine
Target: Multidrug resistance-associated protein 7 (Transporter)
Gene: ABCC10
UniProt: Q5T3U5 (MRP7_HUMAN)
Organism: Homo sapiens
Drug: anhydrovinblastine
Target: Tubulin beta-4B chain (Structural)
Gene: TUBB4B
UniProt: P68371 (TBB4B_HUMAN)
Organism: Homo sapiens
Drug: anileridine
Target: Mu-type opioid receptor (GPCR)
Gene: OPRM1
UniProt: P35372 (OPRM_HUMAN)
Organism: Homo sapiens
Action type: AGONIST
Drug: anisindione
Target: Vitamin K-dependent gamma-carboxylase (Enzyme)
Gene: GGCX
UniProt: P38435 (VKGC_HUMAN)
Organism: Homo sapiens
Action type: INHIBITOR
Drug: anisindione
Target: Arachidonate 5-lipoxygenase (Enzyme)
Gene: Alox5
UniProt: P12527 (LOX5_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 5.04
Assay: In vitro inhibition of 5-lipoxygenase activity in RBL-1 cells.
Drug: octatropine methylbromide
Target: Muscarinic acetylcholine receptor M1 (GPCR)
Gene: CHRM1
UniProt: P11229 (ACM1_HUMAN)
Organism: Homo sapiens
Action type: ANTAGONIST
Drug: octatropine methylbromide
Target: Muscarinic acetylcholine receptor M3 (GPCR)
Gene: CHRM3
UniProt: P20309 (ACM3_HUMAN)
Organism: Homo sapiens
Action type: ANTAGONIST
Drug: antazoline
Target: Histamine H1 receptor (GPCR)
Gene: HRH1
UniProt: P35367 (HRH1_HUMAN)
Organism: Homo sapiens
Action type: ANTAGONIST
Assay: Mechanism of Action; CHEMBL231; SINGLE PROTEIN
Drug: antazoline
Target: Histamine H1 receptor (GPCR)
Gene: HRH1
UniProt: P31389 (HRH1_CAVPO)
Organism: Cavia porcellus
Activity: Kd = 7.14
Assay: Antagonist activity at H1 receptor in guinea pig ileum assessed as inhibition of histamine-induced ileum contraction measured after 15 mins
Drug: dithranol
Target: Arachidonate 12-lipoxygenase, 12R-type (Enzyme)
Gene: ALOX12B
UniProt: O75342 (LX12B_HUMAN)
Organism: Homo sapiens
Drug: dithranol
Target: 5-lipoxygenase (Enzyme)
UniProt: Q9BEG3 (Q9BEG3_BOVIN)
Organism: Bos taurus
Activity: IC50 = 4.43
Assay: Inhibitory activity against 5-lipoxygenase (inhibition of 5-HETE and LTB4 biosynthesis) in bovine polymorphonuclear leukocytes (PMNL).
Drug: dithranol
Target: NAD-dependent protein deacylase sirtuin-5, mitochondrial (Enzyme)
Gene: SIRT5
UniProt: Q9NXA8 (SIR5_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7
Assay: Inhibition of SIRT5 (unknown origin) using GGQSLK[succ]FGKG as substrate after 30 mins
Drug: dithranol
Target: Serine protease hepsin (Enzyme)
Gene: HPN
UniProt: P05981 (HEPS_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.64
Assay: High-Throughput Screening Assay: To identify novel inhibitors of hepsin, the Chembridge DIVERSet 10,000 compound high-diversity library was screened using an assay based on the cleavage of the chromogenic peptide. In addition, the NINDS II library of 1040 compounds (MicroSource Discovery) was screened to identify hepsin inhibitors among established drugs and known bioactive molecules. Screens were performed in a 96-well format at a final compound concentration of 2 uM. To minimize false positives, positions 1 and 12 of each row contained DMSO/buffer controls. As a measure of reproducibility, the Z' score for this assay was 0.78 (Zhang et al., 1999 J Biomol Screen 4:67).
Drug: dithranol
Target: Trypsin (Enzyme)
UniProt: P00761 (TRYP_PIG)
Organism: Sus scrofa
Activity: IC50 = 5.9
Assay: High-Throughput Screening Assay: To identify novel inhibitors of hepsin, the Chembridge DIVERSet 10,000 compound high-diversity library was screened using an assay based on the cleavage of the chromogenic peptide. In addition, the NINDS II library of 1040 compounds (MicroSource Discovery) was screened to identify hepsin inhibitors among established drugs and known bioactive molecules. Screens were performed in a 96-well format at a final compound concentration of 2 uM. To minimize false positives, positions 1 and 12 of each row contained DMSO/buffer controls. As a measure of reproducibility, the Z' score for this assay was 0.78 (Zhang et al., 1999 J Biomol Screen 4:67).
Drug: apomorphine
Target: D(1A) dopamine receptor (GPCR)
Gene: DRD1
UniProt: P21728 (DRD1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 8.34
Assay: Binding affinity to dopamine D1 receptor high binding site by radioligand displacement assay
Drug: apomorphine
Target: D(2) dopamine receptor (GPCR)
Gene: DRD2
UniProt: P14416 (DRD2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 9.21
Action type: AGONIST
Assay: Displacement of [3H]spiperone from human dopamine D2 receptor at high affinity state expressed in HEK293 cells
Drug: apomorphine
Target: Alpha-2A adrenergic receptor (GPCR)
Gene: ADRA2A
UniProt: P08913 (ADA2A_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.9
Action type: AGONIST
Drug: apomorphine
Target: 5-hydroxytryptamine receptor 1A (GPCR)
Gene: HTR1A
UniProt: P08908 (5HT1A_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.53
Assay: Binding affinity was measured on cloned Human 5-hydroxytryptamine 1A receptor which is labeled by [3H]8-OH-DPAT
Drug: apomorphine
Target: 5-hydroxytryptamine receptor 2A (GPCR)
Gene: HTR2A
UniProt: P28223 (5HT2A_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.9
Action type: ANTAGONIST
Drug: apomorphine
Target: 5-hydroxytryptamine receptor 2B (GPCR)
Gene: HTR2B
UniProt: P41595 (5HT2B_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.9
Action type: ANTAGONIST
Drug: apomorphine
Target: 5-hydroxytryptamine receptor 2C (GPCR)
Gene: HTR2C
UniProt: P28335 (5HT2C_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7
Action type: ANTAGONIST
Drug: apomorphine
Target: Alpha-1A adrenergic receptor (GPCR)
Gene: ADRA1A
UniProt: P35348 (ADA1A_HUMAN)
Organism: Homo sapiens
Activity: Ki  5.7
Drug: apomorphine
Target: Alpha-2B adrenergic receptor (GPCR)
Gene: ADRA2B
UniProt: P18089 (ADA2B_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.2
Action type: ANTAGONIST
Drug: apomorphine
Target: D(3) dopamine receptor (GPCR)
Gene: DRD3
UniProt: P35462 (DRD3_HUMAN)
Organism: Homo sapiens
Activity: Ki = 8.59
Action type: AGONIST
Assay: Displacement of [3H]domperidone from human cloned dopamine D3 receptor expressed in mouse CCL1-3 cells by scintillation counting
Drug: apomorphine
Target: D(1B) dopamine receptor (GPCR)
Gene: DRD5
UniProt: P21918 (DRD5_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.8
Action type: AGONIST
Drug: apomorphine
Target: 5-hydroxytryptamine receptor 1B (GPCR)
Gene: HTR1B
UniProt: P28222 (5HT1B_HUMAN)
Organism: Homo sapiens
Activity: Ki  5.53
Drug: apomorphine
Target: 5-hydroxytryptamine receptor 1D (GPCR)
Gene: HTR1D
UniProt: P28221 (5HT1D_HUMAN)
Organism: Homo sapiens
Activity: Ki  5.91
Drug: apomorphine
Target: Alpha-2C adrenergic receptor (GPCR)
Gene: ADRA2C
UniProt: P18825 (ADA2C_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.4
Action type: ANTAGONIST
Drug: apomorphine
Target: D(4) dopamine receptor (GPCR)
Gene: DRD4
UniProt: P21917 (DRD4_HUMAN)
Organism: Homo sapiens
Activity: Ki = 8.05
Action type: AGONIST
Assay: Displacement of [3H]A369508 from human D4 receptor expressed in HEK293 cell membrane
Drug: apomorphine
Target: Alpha-1D adrenergic receptor (GPCR)
Gene: ADRA1D
UniProt: P25100 (ADA1D_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.187
Drug: apomorphine
Target: Alpha-1B adrenergic receptor (GPCR)
Gene: ADRA1B
UniProt: P35368 (ADA1B_HUMAN)
Organism: Homo sapiens
Activity: Ki  6.17
Drug: apomorphine
Target: Solute carrier family 22 member 1 (Transporter)
Gene: SLC22A1
UniProt: O15245 (S22A1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.68
Assay: Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells by confocal microscopy
Drug: apomorphine
Target: Transient receptor potential cation channel subfamily A member 1 (Ion channel)
Gene: TRPA1
UniProt: O75762 (TRPA1_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 5.1
Action type: ACTIVATOR
Assay: Calcium imaging, patch clamp