AIM-Harvard/TrialPanorama-filtered huggingface dataset:
Drug: isoprenaline
Target: D(2) dopamine receptor (GPCR)
Gene: DRD2
UniProt: P14416 (DRD2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 4.92
Assay: Displacement of [3H]spiperone from human D2S receptor expressed in CHO cells
Drug: isoprenaline
Target: D(3) dopamine receptor (GPCR)
Gene: DRD3
UniProt: P35462 (DRD3_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.33
Assay: Displacement of [3H]spiperone from human D3 receptor expressed in CHO cells
Drug: isoprenaline
Target: Beta-3 adrenergic receptor (GPCR)
Gene: ADRB3
UniProt: P13945 (ADRB3_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 8.5
Action type: AGONIST
Drug: isoprenaline
Target: D(4) dopamine receptor (GPCR)
Gene: DRD4
UniProt: P21917 (DRD4_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.54
Assay: Displacement of [3H]spiperone from human D4.4 receptor expressed in CHO cells
Drug: isoprenaline
Target: Arachidonate 15-lipoxygenase (Enzyme)
Gene: ALOX15
UniProt: P12530 (LOX15_RABIT)
Organism: Oryctolagus cuniculus
Activity: IC50 = 5.752
Assay: DRUGMATRIX: Lipoxygenase 15-LO enzyme inhibition (substrate: Linoleic acid)
Drug: isoprenaline
Target: Beta-2 adrenergic receptor (GPCR)
Gene: Adrb2
UniProt: Q8K4Z4 (ADRB2_CAVPO)
Organism: Cavia porcellus
Activity: EC50 = 7.54
Drug: isoprenaline
Target: Beta-2 adrenergic receptor (GPCR)
Gene: ADRB2
UniProt: Q28044 (ADRB2_BOVIN)
Organism: Bos taurus
Activity: Kd = 6.48
Drug: isoprenaline
Target: Beta-1 adrenergic receptor (GPCR)
Gene: Adrb1
UniProt: P18090 (ADRB1_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 6.22
Drug: isoprenaline
Target: Beta-2 adrenergic receptor (GPCR)
Gene: ADRB2
UniProt: P54833 (ADRB2_CANFA)
Organism: Canis familiaris
Activity: IC50 = 6
Drug: isoprenaline
Target: Taste receptor type 2 member 14 (GPCR)
Gene: TAS2R14
UniProt: Q9NYV8 (T2R14_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 8.31
Assay: Agonist activity at human TAS2R14 expressed in HEK293T cells co-expressing Galpha15 assessed as increase in intracellular calcium level by Calcium-3 dye based fluorescence assay
Drug: isoprenaline
Target: Taste receptor type 2 member 46 (GPCR)
Gene: TAS2R46
UniProt: P59540 (T2R46_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 8.31
Assay: Agonist activity at human TAS2R46 expressed in HEK293T cells co-expressing Galpha15 assessed as increase in intracellular calcium level by Calcium-3 dye based fluorescence assay
Drug: isoprenaline
Target: Beta-2 adrenergic receptor (GPCR)
Gene: ADRB2
UniProt: P04274 (ADRB2_MESAU)
Organism: Mesocricetus auratus
Activity: Ki = 6.87
Assay: Displacement of [125I](-)-iodopindolol from adrenergic beta2 receptor in Syrian hamster DDT1 MF2 cells
Drug: isoprenaline
Target: Beta-3 adrenergic receptor (GPCR)
Gene: Adrb3
UniProt: P25962 (ADRB3_MOUSE)
Organism: Mus musculus
Activity: Ki = 5.3
Action type: AGONIST
Drug: isoprenaline
Target: Beta-3 adrenergic receptor (GPCR)
Gene: Adrb3
UniProt: P26255 (ADRB3_RAT)
Organism: Rattus norvegicus
Activity: Ki = 5.3
Action type: AGONIST
Drug: isoprenaline
Target: Beta-1 adrenergic receptor (GPCR)
Gene: Adrb1
UniProt: P34971 (ADRB1_MOUSE)
Organism: Mus musculus
Activity: Ki = 6.66
Assay: Displacement of [3H]CGP12177 from mouse beta1 receptor expressed in HEK293 cells
Drug: isoprenaline
Target: Taste receptor type 2 member 38 (GPCR)
Gene: TAS2R38
UniProt: P59533 (T2R38_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 8.31
Assay: Agonist activity at human TAS2R38 expressed in HEK293T cells co-expressing Galpha15 assessed as increase in intracellular calcium level by Calcium-3 dye based fluorescence assay
Drug: isoprenaline
Target: Taste receptor type 2 member 39 (GPCR)
Gene: TAS2R39
UniProt: P59534 (T2R39_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 8.31
Assay: Agonist activity at human TAS2R39 expressed in HEK293T cells co-expressing Galpha15 assessed as increase in intracellular calcium level by Calcium-3 dye based fluorescence assay
Drug: isoprenaline
Target: Taste receptor type 2 member 40 (GPCR)
Gene: TAS2R40
UniProt: P59535 (T2R40_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 8.31
Assay: Agonist activity at human TAS2R40 expressed in HEK293T cells co-expressing Galpha15 assessed as increase in intracellular calcium level by Calcium-3 dye based fluorescence assay
Drug: isoprenaline
Target: Taste receptor type 2 member 41 (GPCR)
Gene: TAS2R41
UniProt: P59536 (T2R41_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 8.31
Assay: Agonist activity at human TAS2R41 expressed in HEK293T cells co-expressing Galpha15 assessed as increase in intracellular calcium level by Calcium-3 dye based fluorescence assay
Drug: isoprenaline
Target: Taste receptor type 2 member 43 (GPCR)
Gene: TAS2R43
UniProt: P59537 (T2R43_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 8.31
Assay: Agonist activity at human TAS2R43 expressed in HEK293T cells co-expressing Galpha15 assessed as increase in intracellular calcium level by Calcium-3 dye based fluorescence assay
Drug: isoprenaline
Target: Taste receptor type 2 member 31 (GPCR)
Gene: TAS2R31
UniProt: P59538 (T2R31_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 8.31
Assay: Agonist activity at human TAS2R44 expressed in HEK293T cells co-expressing Galpha15 assessed as increase in intracellular calcium level by Calcium-3 dye based fluorescence assay
Drug: isoprenaline
Target: Taste receptor type 2 member 45 (GPCR)
Gene: TAS2R45
UniProt: P59539 (T2R45_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 8.31
Assay: Agonist activity at human TAS2R45 expressed in HEK293T cells co-expressing Galpha15 assessed as increase in intracellular calcium level by Calcium-3 dye based fluorescence assay
Drug: isoprenaline
Target: Taste receptor type 2 member 30 (GPCR)
Gene: TAS2R30
UniProt: P59541 (T2R30_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 8.31
Assay: Agonist activity at human TAS2R47 expressed in HEK293T cells co-expressing Galpha15 assessed as increase in intracellular calcium level by Calcium-3 dye based fluorescence assay
Drug: isoprenaline
Target: Taste receptor type 2 member 19 (GPCR)
Gene: TAS2R19
UniProt: P59542 (T2R19_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 8.31
Assay: Agonist activity at human TAS2R48 expressed in HEK293T cells co-expressing Galpha15 assessed as increase in intracellular calcium level by Calcium-3 dye based fluorescence assay
Drug: isoprenaline
Target: Taste receptor type 2 member 20 (GPCR)
Gene: TAS2R20
UniProt: P59543 (T2R20_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 8.31
Assay: Agonist activity at human TAS2R49 expressed in HEK293T cells co-expressing Galpha15 assessed as increase in intracellular calcium level by Calcium-3 dye based fluorescence assay
Drug: isoprenaline
Target: Taste receptor type 2 member 50 (GPCR)
Gene: TAS2R50
UniProt: P59544 (T2R50_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 8.31
Assay: Agonist activity at human TAS2R50 expressed in HEK293T cells co-expressing Galpha15 assessed as increase in intracellular calcium level by Calcium-3 dye based fluorescence assay
Drug: isoprenaline
Target: Taste receptor type 2 member 60 (GPCR)
Gene: TAS2R60
UniProt: P59551 (T2R60_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 8.31
Assay: Agonist activity at human TAS2R60 expressed in HEK293T cells co-expressing Galpha15 assessed as increase in intracellular calcium level by Calcium-3 dye based fluorescence assay
Drug: isoprenaline
Target: Taste receptor type 2 member 42 (GPCR)
Gene: TAS2R42
UniProt: Q7RTR8 (T2R42_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 8.31
Assay: Agonist activity at human TAS2R55 expressed in HEK293T cells co-expressing Galpha15 assessed as increase in intracellular calcium level by Calcium-3 dye based fluorescence assay
Drug: isoprenaline
Target: Taste receptor type 2 member 16 (GPCR)
Gene: TAS2R16
UniProt: Q9NYV7 (T2R16_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 8.31
Assay: Agonist activity at human TAS2R16 expressed in HEK293T cells co-expressing Galpha15 assessed as increase in intracellular calcium level by Calcium-3 dye based fluorescence assay
Drug: isoprenaline
Target: Taste receptor type 2 member 13 (GPCR)
Gene: TAS2R13
UniProt: Q9NYV9 (T2R13_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 8.31
Assay: Agonist activity at human TAS2R13 expressed in HEK293T cells co-expressing Galpha15 assessed as increase in intracellular calcium level by Calcium-3 dye based fluorescence assay
Drug: isoprenaline
Target: Taste receptor type 2 member 10 (GPCR)
Gene: TAS2R10
UniProt: Q9NYW0 (T2R10_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 8.31
Assay: Agonist activity at human TAS2R10 expressed in HEK293T cells co-expressing Galpha15 assessed as increase in intracellular calcium level by Calcium-3 dye based fluorescence assay
Drug: isoprenaline
Target: Taste receptor type 2 member 9 (GPCR)
Gene: TAS2R9
UniProt: Q9NYW1 (TA2R9_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 8.31
Assay: Agonist activity at human TAS2R9 expressed in HEK293T cells co-expressing Galpha15 assessed as increase in intracellular calcium level by Calcium-3 dye based fluorescence assay
Drug: isoprenaline
Target: Taste receptor type 2 member 8 (GPCR)
Gene: TAS2R8
UniProt: Q9NYW2 (TA2R8_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 8.31
Assay: Agonist activity at human TAS2R8 expressed in HEK293T cells co-expressing Galpha15 assessed as increase in intracellular calcium level by Calcium-3 dye based fluorescence assay
Drug: isoprenaline
Target: Taste receptor type 2 member 7 (GPCR)
Gene: TAS2R7
UniProt: Q9NYW3 (TA2R7_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 8.31
Assay: Agonist activity at human TAS2R7 expressed in HEK293T cells co-expressing Galpha15 assessed as increase in intracellular calcium level by Calcium-3 dye based fluorescence assay
Drug: isoprenaline
Target: Taste receptor type 2 member 5 (GPCR)
Gene: TAS2R5
UniProt: Q9NYW4 (TA2R5_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 8.31
Assay: Agonist activity at human TAS2R5 expressed in HEK293T cells co-expressing Galpha15 assessed as increase in intracellular calcium level by Calcium-3 dye based fluorescence assay
Drug: isoprenaline
Target: Taste receptor type 2 member 4 (GPCR)
Gene: TAS2R4
UniProt: Q9NYW5 (TA2R4_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 8.31
Assay: Agonist activity at human TAS2R4 expressed in HEK293T cells co-expressing Galpha15 assessed as increase in intracellular calcium level by Calcium-3 dye based fluorescence assay
Drug: isoprenaline
Target: Taste receptor type 2 member 3 (GPCR)
Gene: TAS2R3
UniProt: Q9NYW6 (TA2R3_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 8.31
Assay: Agonist activity at human TAS2R3 expressed in HEK293T cells co-expressing Galpha15 assessed as increase in intracellular calcium level by Calcium-3 dye based fluorescence assay
Drug: isoprenaline
Target: Taste receptor type 2 member 1 (GPCR)
Gene: TAS2R1
UniProt: Q9NYW7 (TA2R1_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 8.31
Assay: Agonist activity at human TAS2R1 expressed in HEK293T cells co-expressing Galpha15 assessed as increase in intracellular calcium level by Calcium-3 dye based fluorescence assay
Drug: isopropamide
Target: Muscarinic acetylcholine receptor M1 (GPCR)
Gene: CHRM1
UniProt: P11229 (ACM1_HUMAN)
Organism: Homo sapiens
Action type: ANTAGONIST
Assay: Mechanism of Action; CHEMBL216; SINGLE PROTEIN
Drug: isopropamide
Target: Muscarinic acetylcholine receptor M3 (GPCR)
Gene: CHRM3
UniProt: P20309 (ACM3_HUMAN)
Organism: Homo sapiens
Action type: ANTAGONIST
Assay: Mechanism of Action; CHEMBL245; SINGLE PROTEIN
Drug: isosorbide dinitrate
Target: Atrial natriuretic peptide receptor 1 (Enzyme)
Gene: NPR1
UniProt: P16066 (ANPRA_HUMAN)
Organism: Homo sapiens
Drug: isosorbide dinitrate
Target: Soluble guanylate cyclase (Enzyme)
Gene: GUCY1B2|GUCY1A2|GUCY1A3|GUCY1B3
UniProt: O75343|P33402|Q02108|Q02153 (GCYB2_HUMAN|GCYA2_HUMAN|GCYA3_HUMAN|GCYB1_HUMAN)
Organism: Homo sapiens
Action type: ACTIVATOR
Assay: Mechanism of Action; CHEMBL2111348; PROTEIN COMPLEX GROUP
Drug: isosorbide mononitrate
Target: Atrial natriuretic peptide receptor 1 (Enzyme)
Gene: NPR1
UniProt: P16066 (ANPRA_HUMAN)
Organism: Homo sapiens
Drug: isosorbide mononitrate
Target: Soluble guanylate cyclase (Enzyme)
Gene: GUCY1B2|GUCY1A2|GUCY1A3|GUCY1B3
UniProt: O75343|P33402|Q02108|Q02153 (GCYB2_HUMAN|GCYA2_HUMAN|GCYA3_HUMAN|GCYB1_HUMAN)
Organism: Homo sapiens
Action type: ACTIVATOR
Assay: Mechanism of Action; CHEMBL2111348; PROTEIN COMPLEX GROUP
Drug: isotretinoin
Target: 5-hydroxytryptamine receptor 2B (GPCR)
Gene: HTR2B
UniProt: P41595 (5HT2B_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.268
Assay: DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)
Drug: isotretinoin
Target: Alpha-2B adrenergic receptor (GPCR)
Gene: ADRA2B
UniProt: P18089 (ADA2B_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.52
Assay: DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)
Drug: isotretinoin
Target: Adenosine receptor A3 (GPCR)
Gene: ADORA3
UniProt: P0DMS8 (AA3R_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.628
Assay: DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA)
Drug: isotretinoin
Target: Retinoic acid receptor alpha (Nuclear hormone receptor)
Gene: RARA
UniProt: P10276 (RARA_HUMAN)
Organism: Homo sapiens
Activity: ED50 = 8.229
Drug: isotretinoin
Target: Alcohol dehydrogenase 4 (Enzyme)
Gene: ADH4
UniProt: P08319 (ADH4_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.523
Drug: isotretinoin
Target: Dehydrogenase/reductase SDR family member 9 (Enzyme)
Gene: DHRS9
UniProt: Q9BPW9 (DHRS9_HUMAN)
Organism: Homo sapiens
Activity: Ki = 4.523
Drug: isotretinoin
Target: 11-cis retinol dehydrogenase (Enzyme)
Gene: RDH5
UniProt: Q92781 (RDH1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7
Drug: isotretinoin
Target: 17-beta-hydroxysteroid dehydrogenase type 6 (Enzyme)
Gene: HSD17B6
UniProt: O14756 (H17B6_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.398
Drug: isotretinoin
Target: Retinoic acid receptor beta (Nuclear hormone receptor)
Gene: RARB
UniProt: P10826 (RARB_HUMAN)
Organism: Homo sapiens
Action type: INHIBITOR
Assay: Mechanism of Action; CHEMBL2008; SINGLE PROTEIN
Drug: isotretinoin
Target: Mitogen-activated protein kinase 14 (Kinase)
Gene: MAPK14
UniProt: Q16539 (MK14_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.597
Assay: DRUGMATRIX: Protein Serine/Threonine Kinase, p38alpha enzyme inhibition (substrate: Myelin Basic Protein)
Drug: isotretinoin
Target: Mitogen-activated protein kinase 1 (Kinase)
Gene: MAPK1
UniProt: P28482 (MK01_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.335
Assay: DRUGMATRIX: Protein Serine/Threonine Kinase, ERK2 enzyme inhibition (substrate: Myelin Basic Protein)
Drug: isotretinoin
Target: Cellular retinoic acid-binding protein 1 (Cytosolic other)
Gene: CRABP1
UniProt: P40220 (RABP1_CHICK)
Organism: Gallus gallus
Activity: IC50 = 6.05
Assay: Tested for its ability to inhibit the binding of (all-E-)-RA to cytoplasmic retinoic acid-binding protein (CRABP) from chick skin
Drug: isotretinoin
Target: Olfactory receptor 51E2 (GPCR)
Gene: OR51E2
UniProt: Q9H255 (O51E2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.8
Assay: Antagonist activity at PSGR/OR51E2 (unknown origin) expressed in human Hana3A cells co-transfected with CRE-Luc by luciferase reporter gene assay
Drug: isoxicam
Target: Prostaglandin G/H synthase 2 (Enzyme)
Gene: PTGS2
UniProt: P35354 (PGH2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.2
Drug: isoxicam
Target: Prostaglandin G/H synthase 1 (Enzyme)
Gene: PTGS1
UniProt: P23219 (PGH1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.1
Drug: isradipine
Target: Potassium voltage-gated channel subfamily H member 2 (Ion channel)
Gene: KCNH2
UniProt: Q12809 (KCNH2_HUMAN)
Organism: Homo sapiens
Drug: isradipine
Target: Nuclear receptor subfamily 1 group I member 2 (Nuclear hormone receptor)
Gene: NR1I2
UniProt: O75469 (NR1I2_HUMAN)
Organism: Homo sapiens
Drug: isradipine
Target: Voltage-dependent L-type calcium channel subunit alpha-1C (Ion channel)
Gene: CACNA1C
UniProt: Q13936 (CAC1C_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8.8
Action type: GATING INHIBITOR
Drug: isradipine
Target: Voltage-dependent L-type calcium channel subunit alpha-1D (Ion channel)
Gene: CACNA1D
UniProt: Q01668 (CAC1D_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 9.3
Action type: GATING INHIBITOR
Assay: Recombinant Ca<sub>v</sub>1.3 calcium channel complexes expressed in tsA201-cells
Drug: isradipine
Target: Voltage-dependent T-type calcium channel subunit alpha-1H (Ion channel)
Gene: CACNA1H
UniProt: O95180 (CAC1H_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.509
Drug: isradipine
Target: Voltage-dependent L-type calcium channel subunit alpha-1C (Ion channel)
Gene: CACNA1C
UniProt: P15381 (CAC1C_RABIT)
Organism: Oryctolagus cuniculus
Activity: IC50 = 6.97
Assay: Antagonist activity at rabbit voltage-dependent L-type calcium channel Cav1.2alpha-1C expressed in HEK293 cells by FLIPR assay
Drug: isradipine
Target: Voltage-dependent L-type calcium channel subunit alpha-1D (Ion channel)
Gene: Cacna1d
UniProt: P27732 (CAC1D_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 6.66
Assay: Antagonist activity at rat voltage-dependent L-type calcium channel Cav1.3alpha-1D expressed in HEK293 cells by FLIPR assay
Drug: isradipine
Target: Voltage-dependent L-type calcium channel subunit alpha-1F (Ion channel)
Gene: Cacna1f
UniProt: Q9JIS7 (CAC1F_MOUSE)
Organism: Mus musculus
Activity: IC50 = 6.7
Action type: GATING INHIBITOR
Drug: isradipine
Target: Voltage-dependent L-type calcium channel subunit alpha-1C (Ion channel)
Gene: Cacna1c
UniProt: Q01815 (CAC1C_MOUSE)
Organism: Mus musculus
Activity: IC50 = 7.5
Action type: GATING INHIBITOR
Drug: itraconazole
Target: Beta-2 adrenergic receptor (GPCR)
Gene: ADRB2
UniProt: P07550 (ADRB2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.3
Assay: Displacement of [3H]-DHA from recombinant human beta2 adrenoceptor expressed in HEK293T cells
Drug: itraconazole
Target: Cytochrome P450 3A4 (Enzyme)
Gene: CYP3A4
UniProt: P08684 (CP3A4_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.046
Assay: DRUGMATRIX: CYP450, 3A4 enzyme inhibition (substrate: 7-Benzyloxy-4-(trifluoromethyl)-coumarin)
Drug: itraconazole
Target: Lanosterol 14-alpha demethylase (Enzyme)
Gene: ERG11
UniProt: P10613 (CP51_CANAL)
Organism: Candida albicans (strain SC5314 / ATCC MYA-2876)
Activity: MIC = 9.246
Action type: INHIBITOR
Drug: itraconazole
Target: Vasopressin V2 receptor (GPCR)
Gene: AVPR2
UniProt: P30518 (V2R_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.1
Assay: Inhibition of vasopressin-stimulated vasopressin V2 receptor in human HTLA cells pre-incubated for 20 mins measured on day 4 by beta arrestin-recruitment mediated luciferase reporter gene assay
Drug: itraconazole
Target: Tyrosine-protein kinase Fyn (Kinase)
Gene: FYN
UniProt: P06241 (FYN_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.41
Assay: DRUGMATRIX: Protein Tyrosine Kinase, Fyn enzyme inhibition (substrate: Poly(Glu:Tyr))
Drug: itraconazole
Target: Lanosterol 14-alpha demethylase (Enzyme)
Gene: CYP51A1
UniProt: Q16850 (CP51A_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.44
Assay: Inhibition of human CYP51 expressed in Topp 3 cells by lanosterol demethylase assay
Drug: itraconazole
Target: C-C chemokine receptor type 4 (GPCR)
Gene: CCR4
UniProt: P51679 (CCR4_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.7
Assay: Inverse agonist activity at CCR4 in human HTLA cells assessed as depression of basal activity incubated for 20 mins by beta arrestin-recruitment mediated luciferase reporter gene assay in absence of CCL22
Drug: itraconazole
Target: C-X-C chemokine receptor type 1 (GPCR)
Gene: CXCR1
UniProt: P25024 (CXCR1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7
Assay: Inhibition of CX3CL1-stimulated CX3CR1 in human HTLA cells pre-incubated for 20 mins measured on day 4 by beta arrestin-recruitment mediated luciferase reporter gene assay
Drug: itraconazole
Target: Cruzipain (Enzyme)
UniProt: P25779 (CYSP_TRYCR)
Organism: Trypanosoma cruzi
Activity: IC50 = 5.52
Assay: Inhibition of Trypanosoma cruzi cruzaine preincubated for 5 mins before substrate addition by fluorescence assay in absence of Triton X-100
Drug: itraconazole
Target: 14-alpha sterol demethylase Cyp51A (Enzyme)
UniProt: Q4WNT5 (Q4WNT5_ASPFU)
Organism: Neosartorya fumigata (strain ATCC MYA-4609 / Af293 / CBS 101355 / FGSC A1100)
Activity: Kd = 6
Assay: Binding affinity to Aspergillus fumigatus AF293 sterol 14-alpha demethylase isoenzyme A expressed in Escherichia coli
Drug: itraconazole
Target: 14-alpha sterol demethylase (Enzyme)
Gene: cyp51B
UniProt: Q96W81 (Q96W81_ASPFM)
Organism: Neosartorya fumigata
Activity: Kd = 7.51
Assay: Binding affinity to Aspergillus fumigatus AF293 sterol 14-alpha demethylase isoenzyme B expressed in Escherichia coli assessed as tight binding affinity constant
Drug: itraconazole
Target: 7-alpha-hydroxycholest-4-en-3-one 12-alpha-hydroxylase (Enzyme)
Gene: CYP8B1
UniProt: Q9UNU6 (CP8B1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.33
Assay: Inhibition of CYP8B1 in human liver microsomes using D7-7alpha-hydroxy-4-cholesten-3-one as substrate preincubated for 20 mins followed by substrate addition in presence of NADPH by UPLC-ESI-MS/MS analysis
Drug: ixabepilone
Target: Tubulin beta (Tumour-associated antigen)
Gene: TUBB|TUBB1|TUBB2A|TUBB2B|TUBB3|TUBB4A|TUBB4B|TUBB6|TUBB8
UniProt: P07437|Q9H4B7|Q13885|Q9BVA1|Q13509|P04350|P68371|Q9BUF5|Q3ZCM7 (TBB5_HUMAN|TBB1_HUMAN|TBB2A_HUMAN|TBB2B_HUMAN|TBB3_HUMAN|TBB4A_HUMAN|TBB4B_HUMAN|TBB6_HUMAN|TBB8_HUMAN)
Organism: Homo sapiens
Action type: INHIBITOR
Assay: Mechanism of Action
Drug: kanamycin
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 = 5.678
Drug: kanamycin
Target: 3-oxoacyl-[acyl-carrier-protein] synthase 3 (Unclassified)
Gene: fabH
UniProt: P0A6R0 (FABH_ECOLI)
Organism: Escherichia coli (strain K12)
Activity: IC50 = 5.17
Drug: kanamycin
Target: Gap junction beta-2 protein (Unclassified)
Gene: GJB2
UniProt: P29033 (CXB2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.03
Assay: Inhibition of recombinant human Cx26 expressed in Escherichia coli LB2003 assessed as reduction in cell growth measured after 18 hrs
Drug: bekanamycin
Target: 3-oxoacyl-[acyl-carrier-protein] synthase 3 (Enzyme)
Gene: fabH
UniProt: C3TDZ2 (C3TDZ2_ECOLX)
Organism: Escherichia coli
Activity: IC50 = 5.2
Drug: bekanamycin
Target: 3-oxoacyl-[acyl-carrier-protein] synthase 3 (Unclassified)
Gene: fabH
UniProt: P0A6R0 (FABH_ECOLI)
Organism: Escherichia coli (strain K12)
Activity: IC50 = 5.25
Assay: Inhibition of Escherichia coli FabH expressed in Escherichia coli DH10B using holo-ACP/acetyl-CoA as substrate assessed as incorporation of [3H] signal in final product preincubated with holo-ACP for 1 hr followed by acetyl-CoA addition measured after 25 mins by liquid scintillation counting method
Drug: ketamine
Target: Acetylcholine receptor subunit alpha (Ion channel)
Gene: CHRNA1
UniProt: P02710 (ACHA_TORCA)
Organism: Torpedo californica
Activity: IC50 = 5.31
Assay: Displacement of [3H]PCP from nAChR in Torpedo nobiliana electric organs membranes in presence of 100 uM carbachol by scintillation counting method
Drug: ketamine
Target: Glutamate [NMDA] receptor (Ion channel)
Gene: GRIN2D|GRIN3B|GRIN1|GRIN2A|GRIN2B|GRIN2C|GRIN3A
UniProt: O15399|O60391|Q05586|Q12879|Q13224|Q14957|Q8TCU5 (NMDE4_HUMAN|NMD3B_HUMAN|NMDZ1_HUMAN|NMDE1_HUMAN|NMDE2_HUMAN|NMDE3_HUMAN|NMD3A_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.38
Action type: BLOCKER
Assay: The compound was tested for its ability to block PCP N-methyl-D-aspartate glutamate receptor at the PCP (phencyclidine) binding site in postmortem human frontal cortex.
Drug: ketamine
Target: Glutamate NMDA receptor (Ion channel)
Gene: Grin1|Grin2a|Grin2b|Grin2c|Grin2d|Grin3b|Grin3a
UniProt: P35439|Q00959|Q00960|Q00961|Q62645|Q8VHN2|Q9R1M7 (NMDZ1_RAT|NMDE1_RAT|NMDE2_RAT|NMDE3_RAT|NMDE4_RAT|NMD3B_RAT|NMD3A_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 6.21
Assay: Inhibition of [3H]-MK-801 binding to NMDA receptor from rat cerebral cortical synaptic membrane
Drug: ketamine
Target: Glutamate receptor ionotropic AMPA (Ion channel)
Gene: GRIA1|GRIA2|GRIA3|GRIA4
UniProt: P42261|P42262|P42263|P48058 (GRIA1_HUMAN|GRIA2_HUMAN|GRIA3_HUMAN|GRIA4_HUMAN)
Organism: Homo sapiens
Action type: OPENER
Assay: antidepressant action of (2R,6R)-HNK metabolite