AIM-Harvard/TrialPanorama-filtered huggingface dataset:
Drug: vinblastine
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
Activity: IC50 = 9
Action type: INHIBITOR
Drug: vinburnine
Target: Muscarinic acetylcholine receptor M1 (GPCR)
Gene: CHRM1
UniProt: P11229 (ACM1_HUMAN)
Organism: Homo sapiens
Activity: Kd = 5.1
Action type: ALLOSTERIC MODULATOR
Drug: vinburnine
Target: Muscarinic acetylcholine receptor M2 (GPCR)
Gene: CHRM2
UniProt: P08172 (ACM2_HUMAN)
Organism: Homo sapiens
Activity: Kd = 4.2
Action type: ALLOSTERIC MODULATOR
Drug: vinburnine
Target: Muscarinic acetylcholine receptor M3 (GPCR)
Gene: CHRM3
UniProt: P20309 (ACM3_HUMAN)
Organism: Homo sapiens
Activity: Kd = 5.2
Action type: ALLOSTERIC MODULATOR
Drug: vinburnine
Target: Muscarinic acetylcholine receptor M4 (GPCR)
Gene: CHRM4
UniProt: P08173 (ACM4_HUMAN)
Organism: Homo sapiens
Activity: Kd = 4.6
Action type: ALLOSTERIC MODULATOR
Drug: vincristine
Target: Multidrug resistance protein 1 (Transporter)
Gene: ABCB1
UniProt: P08183 (MDR1_HUMAN)
Organism: Homo sapiens
Drug: vincristine
Target: Canalicular multispecific organic anion transporter 1 (Transporter)
Gene: ABCC2
UniProt: Q92887 (MRP2_HUMAN)
Organism: Homo sapiens
Drug: vincristine
Target: Multidrug resistance-associated protein 1 (Transporter)
Gene: ABCC1
UniProt: P33527 (MRP1_HUMAN)
Organism: Homo sapiens
Drug: vincristine
Target: Multidrug resistance-associated protein 7 (Transporter)
Gene: ABCC10
UniProt: Q5T3U5 (MRP7_HUMAN)
Organism: Homo sapiens
Drug: vincristine
Target: Tubulin (Structural)
Gene: TUBB2B
UniProt: Q6B856|Q862F3|Q862L2 (TBB2B_BOVIN|Q862F3_BOVIN|Q862L2_BOVIN)
Organism: Bos taurus
Activity: IC50 = 5.74
Assay: In vitro inhibition of tubulin polymerization measured as turbidity formed by centrifugation
Drug: vincristine
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: vindesine
Target: Cytochrome P450 3A4 (Enzyme)
Gene: CYP3A4
UniProt: P08684 (CP3A4_HUMAN)
Organism: Homo sapiens
Activity: Km = 4.607
Drug: vinorelbine
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: vinorelbine
Target: Substance-K receptor (GPCR)
Gene: TACR2
UniProt: P21452 (NK2R_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.271
Assay: DRUGMATRIX: Tachykinin NK2  radioligand binding (ligand: [3H] SR-48968)
Drug: vinorelbine
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: vinpocetine
Target: Potassium voltage-gated channel subfamily H member 2 (Ion channel)
Gene: KCNH2
UniProt: Q12809 (KCNH2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.41
Assay: Inhibition of human ERG
Drug: vinpocetine
Target: Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A (Enzyme)
Gene: PDE1A
UniProt: P54750 (PDE1A_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.1
Assay: GRAC: human PDE1A selective inhibitor
Drug: vinpocetine
Target: Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C (Enzyme)
Gene: PDE1C
UniProt: Q14123 (PDE1C_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.3
Action type: INHIBITOR
Drug: vinpocetine
Target: Phosphodiesterase 1 (Enzyme)
Gene: PDE1A|PDE1B
UniProt: P14100|Q01061 (PDE1A_BOVIN|PDE1B_BOVIN)
Organism: Bos taurus
Activity: IC50 = 4.72
Assay: Evaluated for inhibitory activity against Phosphodiesterase 1 (PDE1) purified from bovine aorta
Drug: retinol
Target: 11-cis retinol dehydrogenase (Enzyme)
Gene: RDH5
UniProt: Q92781 (RDH1_HUMAN)
Organism: Homo sapiens
Drug: retinol
Target: Retinol dehydrogenase 12 (Enzyme)
Gene: RDH12
UniProt: Q96NR8 (RDH12_HUMAN)
Organism: Homo sapiens
Drug: retinol
Target: Retinol dehydrogenase 13 (Enzyme)
Gene: RDH13
UniProt: Q8NBN7 (RDH13_HUMAN)
Organism: Homo sapiens
Drug: retinol
Target: Retinol-binding protein 3 (Surface antigen)
Gene: RBP3
UniProt: P10745 (RET3_HUMAN)
Organism: Homo sapiens
Drug: retinol
Target: Retinol-binding protein 5 (Cytosolic other)
Gene: RBP5
UniProt: P82980 (RET5_HUMAN)
Organism: Homo sapiens
Drug: retinol
Target: Retinoid-binding protein 7 (Cytosolic other)
Gene: RBP7
UniProt: Q96R05 (RET7_HUMAN)
Organism: Homo sapiens
Drug: retinol
Target: Retinol-binding protein 4 (Secreted)
Gene: RBP4
UniProt: P02753 (RET4_HUMAN)
Organism: Homo sapiens
Activity: Kd = 6.74
Assay: Binding affinity to His-tagged recombinant human sRBP expressed in Escherichia coli BL21(DE3) assessed as apparent dissociation constant after 5 mins by fluorescence spectrophotometric analysis
Drug: retinol
Target: Retinol-binding protein 2 (Cytosolic other)
Gene: RBP2
UniProt: P50120 (RET2_HUMAN)
Organism: Homo sapiens
Drug: retinol
Target: Retinal dehydrogenase 2 (Enzyme)
Gene: ALDH1A2
UniProt: O94788 (AL1A2_HUMAN)
Organism: Homo sapiens
Drug: retinol
Target: Retinal dehydrogenase 1 (Enzyme)
Gene: ALDH1A1
UniProt: P00352 (AL1A1_HUMAN)
Organism: Homo sapiens
Drug: retinol
Target: Retinaldehyde-binding protein 1 (Transporter)
Gene: RLBP1
UniProt: P12271 (RLBP1_HUMAN)
Organism: Homo sapiens
Drug: retinol
Target: Beta-lactoglobulin (Unclassified)
Gene: LGB
UniProt: P02754 (LACB_BOVIN)
Organism: Bos taurus
Activity: Kd = 7.44
Assay: Binding affinity to bovine beta-lactoglobulins by fluorescence spectroscopy
Drug: retinol
Target: Retinol-binding protein 1 (Cytosolic other)
Gene: RBP1
UniProt: P09455 (RET1_HUMAN)
Organism: Homo sapiens
Drug: retinol
Target: Nuclear receptor subfamily 2 group C member 2 (Nuclear other)
Gene: NR2C2
UniProt: P49116 (NR2C2_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 4.71
Action type: AGONIST
Drug: thiamine
Target: Thiamine transporter 1 (Transporter)
Gene: SLC19A2
UniProt: O60779 (S19A2_HUMAN)
Organism: Homo sapiens
Drug: thiamine
Target: Transketolase (Enzyme)
Gene: TKT
UniProt: P29401 (TKT_HUMAN)
Organism: Homo sapiens
Drug: thiamine
Target: Thiamin pyrophosphokinase 1 (Kinase)
Gene: TPK1
UniProt: Q9H3S4 (TPK1_HUMAN)
Organism: Homo sapiens
Drug: thiamine
Target: Thiamine-triphosphatase (Enzyme)
Gene: THTPA
UniProt: Q9BU02 (THTPA_HUMAN)
Organism: Homo sapiens
Drug: thiamine
Target: Transketolase-like protein 1 (Enzyme)
Gene: TKTL1
UniProt: P51854 (TKTL1_HUMAN)
Organism: Homo sapiens
Drug: thiamine
Target: Heat shock protein HSP 90-alpha (Cytosolic other)
Gene: HSP90AA1
UniProt: P07900 (HS90A_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.9
Assay: Inhibition of recombinant Homo sapiens (human) Hsp90 alpha ATPase activity assessed as inorganic phosphate release by malachite green colorimetric method
Drug: thiamine
Target: Thiamine transporter ThiT (Transporter)
Gene: thiT
UniProt: A2RI47 (THIT_LACLM)
Organism: Lactococcus lactis subsp. cremoris
Activity: Kd = 9.91
Assay: Binding affinity to wild-type Lactococcus lactis MG1363 N-terminal His8-tagged ThiT expressed in Lactococcus lactis NZ9000 incubated for 10 secs measured over 15 secs by fluorescence spectrophotometric method
Drug: riboflavin
Target: Flavin reductase (NADPH) (Enzyme)
Gene: BLVRB
UniProt: P30043 (BLVRB_HUMAN)
Organism: Homo sapiens
Drug: riboflavin
Target: Riboflavin kinase (Kinase)
Gene: RFK
UniProt: Q969G6 (RIFK_HUMAN)
Organism: Homo sapiens
Drug: riboflavin
Target: Riboflavin-binding protein (Unclassified)
UniProt: P02752 (RBP_CHICK)
Organism: Gallus gallus
Activity: Kd = 8.3
Assay: Binding affinity to chicken riboflavin binding protein assessed as dissociation constant at pH 7.4 in phosphate buffer by isothermal titration calorimetric assay
Drug: nicotinic acid
Target: Hydroxycarboxylic acid receptor 3 (GPCR)
Gene: HCAR3
UniProt: P49019 (HCAR3_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 6.52
Action type: AGONIST
Drug: nicotinic acid
Target: Nicotinamide N-methyltransferase (Enzyme)
Gene: NNMT
UniProt: P40261 (NNMT_HUMAN)
Organism: Homo sapiens
Drug: nicotinic acid
Target: Nicotinate-nucleotide pyrophosphorylase [carboxylating] (Enzyme)
Gene: QPRT
UniProt: Q15274 (NADC_HUMAN)
Organism: Homo sapiens
Drug: nicotinic acid
Target: Nicotinamide phosphoribosyltransferase (Enzyme)
Gene: NAMPT
UniProt: P43490 (NAMPT_HUMAN)
Organism: Homo sapiens
Drug: nicotinic acid
Target: Hydroxycarboxylic acid receptor 2 (GPCR)
Gene: Hcar2
UniProt: Q80Z39 (HCAR2_RAT)
Organism: Rattus norvegicus
Activity: Ki = 7.48
Assay: Inhibition of [3H]-nicotinic acid (20 nM) binding to nicotinic acid receptor in rat spleen membrane.
Drug: nicotinic acid
Target: Hydroxycarboxylic acid receptor 2 (GPCR)
Gene: Hcar2
UniProt: Q9EP66 (HCAR2_MOUSE)
Organism: Mus musculus
Activity: IC50 = 6.85
Assay: Displacement of [3H]niacin from mouse GPR109A
Drug: nicotinic acid
Target: Amyloid beta A4 protein (Unclassified)
Gene: APP
UniProt: P05067 (A4_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.88
Assay: Inhibition of amyloid beta aggregation (unknown origin) after 4 hrs by thioflavin S assay in absence of Zn2+
Drug: nicotinic acid
Target: Hydroxycarboxylic acid receptor 2 (GPCR)
Gene: HCAR2
UniProt: Q8TDS4 (HCAR2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.3
Action type: AGONIST
Assay: Displacement of [3H]nicotinic acid from human GPR109a receptor expressed in CHO cells
Drug: pyridoxine
Target: Serine hydroxymethyltransferase, cytosolic (Enzyme)
Gene: SHMT1
UniProt: P34896 (GLYC_HUMAN)
Organism: Homo sapiens
Drug: pyridoxine
Target: Pyridoxine-5'-phosphate oxidase (Enzyme)
Gene: PNPO
UniProt: Q9NVS9 (PNPO_HUMAN)
Organism: Homo sapiens
Drug: pyridoxine
Target: Pyridoxal phosphate phosphatase (Enzyme)
Gene: PDXP
UniProt: Q96GD0 (PLPP_HUMAN)
Organism: Homo sapiens
Drug: pyridoxine
Target: Pyridoxal kinase (Kinase)
Gene: PDXK
UniProt: O00764 (PDXK_HUMAN)
Organism: Homo sapiens
Drug: pyridoxine
Target: Cystathionine beta-synthase (Enzyme)
Gene: CBS
UniProt: P35520 (CBS_HUMAN)
Organism: Homo sapiens
Drug: pyridoxine
Target: Phosphoserine aminotransferase (Enzyme)
Gene: PSAT1
UniProt: Q9Y617 (SERC_HUMAN)
Organism: Homo sapiens
Drug: ergocalciferol
Target: 25-hydroxyvitamin D-1 alpha hydroxylase, mitochondrial (Enzyme)
Gene: CYP27B1
UniProt: O15528 (CP27B_HUMAN)
Organism: Homo sapiens
Drug: ergocalciferol
Target: Vitamin D3 receptor (Nuclear hormone receptor)
Gene: VDR
UniProt: P11473 (VDR_HUMAN)
Organism: Homo sapiens
Action type: AGONIST
Drug: ergocalciferol
Target: Vitamin D 25-hydroxylase (Enzyme)
Gene: CYP2R1
UniProt: Q6VVX0 (CP2R1_HUMAN)
Organism: Homo sapiens
Drug: colecalciferol
Target: Glycine receptor subunit alpha-1 (Ion channel)
Gene: GLRA1
UniProt: P23415 (GLRA1_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 6.4
Drug: colecalciferol
Target: 25-hydroxyvitamin D-1 alpha hydroxylase, mitochondrial (Enzyme)
Gene: CYP27B1
UniProt: O15528 (CP27B_HUMAN)
Organism: Homo sapiens
Drug: colecalciferol
Target: Vitamin D3 receptor (Nuclear hormone receptor)
Gene: VDR
UniProt: P11473 (VDR_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 9.68
Action type: AGONIST
Assay: Agonist activity at human VDR expressed in HEK293 cells by luciferase reporter gene assay
Drug: colecalciferol
Target: Vitamin D 25-hydroxylase (Enzyme)
Gene: CYP2R1
UniProt: Q6VVX0 (CP2R1_HUMAN)
Organism: Homo sapiens
Drug: colecalciferol
Target: Sterol 26-hydroxylase, mitochondrial (Enzyme)
Gene: CYP27A1
UniProt: Q02318 (CP27A_HUMAN)
Organism: Homo sapiens
Drug: dihydrotachysterol
Target: Vitamin D3 receptor (Nuclear hormone receptor)
Gene: VDR
UniProt: P11473 (VDR_HUMAN)
Organism: Homo sapiens
Drug: voglibose
Target: Maltase-glucoamylase, intestinal (Enzyme)
Gene: MGAM
UniProt: O43451 (MGA_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.89
Assay: Inhibition of human small intestine microsomal maltase using maltose as substrate incubated for 30 mins by glucose-oxidase method
Drug: voglibose
Target: Sucrase-isomaltase, intestinal (Enzyme)
Gene: Si
UniProt: P23739 (SUIS_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 7.15
Assay: Inhibition of rat intestinal brush border membrane sucrase
Drug: voglibose
Target: Lysosomal alpha-glucosidase (Enzyme)
Gene: Gaa
UniProt: Q6P7A9 (LYAG_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 6.96
Assay: Inhibition of rat intestinal brush border membrane maltase
Drug: voglibose
Target: Glycogen debranching enzyme (Enzyme)
Gene: AGL
UniProt: P35574 (GDE_RABIT)
Organism: Oryctolagus cuniculus
Activity: IC50 = 4.15
Assay: Inhibition of rabbit muscle amylo-1,6-glucosidase
Drug: voglibose
Target: Lysosomal alpha-glucosidase (Enzyme)
Gene: GAA
UniProt: P10253 (LYAG_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.15
Action type: INHIBITOR
Assay: Inhibition of maltase in human Caco-2 cell model system after 2 hrs
Drug: voriconazole
Target: Cytochrome P450 3A4 (Enzyme)
Gene: CYP3A4
UniProt: P08684 (CP3A4_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.89
Drug: voriconazole
Target: Lanosterol 14-alpha demethylase (Enzyme)
Gene: ERG11
UniProt: P10613 (CP51_CANAL)
Organism: Candida albicans (strain SC5314 / ATCC MYA-2876)
Activity: MIC = 8.73
Action type: INHIBITOR
Drug: voriconazole
Target: Cytochrome P450 2C9 (Enzyme)
Gene: CYP2C9
UniProt: P11712 (CP2C9_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.85
Drug: voriconazole
Target: Cytochrome P450 2C19 (Enzyme)
Gene: CYP2C19
UniProt: P33261 (CP2CJ_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.82
Drug: voriconazole
Target: Lanosterol 14-alpha demethylase (Enzyme)
Gene: cyp51
UniProt: P9WPP9 (CP51_MYCTU)
Organism: Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Activity: MIC = 5.844
Drug: voriconazole
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 = 5.44
Assay: Binding affinity to Aspergillus fumigatus AF293 sterol 14-alpha demethylase isoenzyme A expressed in Escherichia coli
Drug: voriconazole
Target: 14-alpha sterol demethylase (Enzyme)
Gene: cyp51B
UniProt: Q96W81 (Q96W81_ASPFM)
Organism: Neosartorya fumigata
Activity: Kd = 6.37
Assay: Binding affinity to Aspergillus fumigatus AF293 sterol 14-alpha demethylase isoenzyme B expressed in Escherichia coli
Drug: voriconazole
Target: Cytochrome P450 11A1 (Enzyme)
Gene: CYP11A1
UniProt: P00189 (CP11A_BOVIN)
Organism: Bos taurus
Activity: Kd = 5.32
Assay: Binding affinity to bovine CYP11A1 by spectral binding study
Drug: voriconazole
Target: Cholesterol side-chain cleavage enzyme, mitochondrial (Enzyme)
Gene: CYP11A1
UniProt: P00189 (CP11A_BOVIN)
Organism: Bos taurus
Activity: Kd = 5.32
Assay: Binding affinity to bovine CYP11A1 by spectral binding study
Drug: voriconazole
Target: Cholesterol 24-hydroxylase (Enzyme)
Gene: CYP46A1
UniProt: Q9Y6A2 (CP46A_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.96
Assay: Inhibition of full-length recombinant human CYP46A1 assessed as reduction in cholesterol 24-hydroxylation using cholesterol as substrate in presence of NADPH cytochrome P450 oxidoreductase by gas chromatography-mass spectrometry
Drug: warfarin
Target: Cytochrome P450 3A4 (Enzyme)
Gene: CYP3A4
UniProt: P08684 (CP3A4_HUMAN)
Organism: Homo sapiens
Activity: Ki = 3.98
Drug: warfarin
Target: Cytochrome P450 2C9 (Enzyme)
Gene: CYP2C9
UniProt: P11712 (CP2C9_HUMAN)
Organism: Homo sapiens
Activity: Ki = 4.867
Drug: warfarin
Target: Vitamin K epoxide reductase complex subunit 1 (Enzyme)
Gene: VKORC1
UniProt: Q9BQB6 (VKOR1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7
Action type: INHIBITOR
Drug: warfarin
Target: Proprotein convertase subtilisin/kexin type 7 (Enzyme)
Gene: PCSK7
UniProt: Q16549 (PCSK7_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.61
Assay: Inhibition of recombinant type 8 subtilisin using Arg-Glu-(EDANS)- Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys-(DALBCYL)-Arg fluorogenic substrate preincubated for 1 hr measured after 1 hr at 1 min interval by fluorescence assay
Drug: warfarin
Target: Vitamin K epoxide reductase complex subunit 1-like protein 1 (Enzyme)
Gene: VKORC1L1
UniProt: Q8N0U8 (VKORL_HUMAN)
Organism: Homo sapiens
Activity: Ki = 4.284
Drug: xamoterol
Target: Beta-1 adrenergic receptor (GPCR)
Gene: ADRB1
UniProt: P08588 (ADRB1_HUMAN)
Organism: Homo sapiens
Activity: Kd = 7.75
Assay: Antagonist activity at human beta1 adrenoceptor expressed in CHOK1 cells assessed as inhibition of cimaterol-induced [3H]cAMP accumulation incubated for 15 mins prior to cimaterol induction measured after 5 hrs
Drug: xamoterol
Target: Beta-2 adrenergic receptor (GPCR)
Gene: ADRB2
UniProt: P07550 (ADRB2_HUMAN)
Organism: Homo sapiens
Activity: Kd = 6.18
Assay: Antagonist activity at human beta2 adrenoceptor expressed in CHOK1 cells assessed as inhibition of cimaterol-induced [3H]cAMP accumulation incubated for 15 mins prior to cimaterol induction measured after 5 hrs
Drug: xamoterol
Target: Beta-3 adrenergic receptor (GPCR)
Gene: ADRB3
UniProt: P13945 (ADRB3_HUMAN)
Organism: Homo sapiens
Activity: Kd = 4.7
Assay: Antagonist activity at human beta3 adrenoceptor expressed in CHOK1 cells assessed as inhibition of cimaterol-induced [3H]cAMP accumulation incubated for 15 mins prior to cimaterol induction measured after 5 hrs
Drug: ximelagatran
Target: Urokinase-type plasminogen activator (Enzyme)
Gene: PLAU
UniProt: P00749 (UROK_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.2
Assay: Inhibition of urokinase-type plasminogen activator (unknown origin)
Drug: ximelagatran
Target: Plasminogen (Enzyme)
Gene: PLG
UniProt: P00747 (PLMN_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.74
Assay: Inhibition of human plasmin
Drug: ximelagatran
Target: Coagulation factor X (Enzyme)
Gene: F10
UniProt: P00742 (FA10_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.43
Assay: Inhibition of human factor 10a
Drug: ximelagatran
Target: Tissue-type plasminogen activator (Enzyme)
Gene: PLAT
UniProt: P00750 (TPA_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.82
Assay: Inhibition of human t-PA
Drug: ximelagatran
Target: Coagulation factor VII (Enzyme)
Gene: F7
UniProt: P08709 (FA7_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.48
Assay: Inhibition of human coagulation factor 7a using spectrozyme as substrate preincubated for 300 seconds followed by substrate addition measured after 40 mins by spectrophotometric analysis in presence of tissue factor
Drug: ximelagatran
Target: Vitamin K-dependent protein C (Enzyme)
Gene: PROC
UniProt: P04070 (PROC_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.89
Assay: Inhibition of human APC using S-2366 as substrate preincubated for 300 seconds followed by substrate addition measured after 40 mins by spectrophotometric analysis
Drug: ximelagatran
Target: Cationic trypsin (Enzyme)
UniProt: P00760 (TRY1_BOVIN)
Organism: Bos taurus
Activity: IC50 = 7.95
Drug: ximelagatran
Target: Coagulation factor XI (Enzyme)
Gene: F11
UniProt: P03951 (FA11_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.7
Assay: Inhibition of human coagulation factor 11a using S-2366 as substrate preincubated for 300 seconds followed by substrate addition measured after 40 mins by spectrophotometric analysis
Drug: ximelagatran
Target: Prothrombin (Enzyme)
Gene: F2
UniProt: P00734 (THRB_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.432
Action type: INHIBITOR
Drug: zafirlukast
Target: Cytochrome P450 3A4 (Enzyme)
Gene: CYP3A4
UniProt: P08684 (CP3A4_HUMAN)
Organism: Homo sapiens
Activity: Ki = 4.873
Drug: zafirlukast
Target: Adenosine receptor A3 (GPCR)
Gene: ADORA3
UniProt: P0DMS8 (AA3R_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.114
Assay: DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA)
Drug: zafirlukast
Target: Cytochrome P450 2C9 (Enzyme)
Gene: CYP2C9
UniProt: P11712 (CP2C9_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.646
Assay: DRUGMATRIX: CYP450, 2C9 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)
Drug: zafirlukast
Target: Cysteinyl leukotriene receptor 1 (GPCR)
Gene: CYSLTR1
UniProt: Q9Y271 (CLTR1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 9.5
Action type: ANTAGONIST
Assay: GRAC: human CysLT1 selective antagonist
Drug: zafirlukast
Target: Cytosolic phospholipase A2 (Enzyme)
Gene: PLA2G4A
UniProt: P47712 (PA24A_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.07
Assay: In vitro inhibition of cystolic phospholipase A2 alpha.
Drug: zafirlukast
Target: Epidermal growth factor receptor (Kinase)
Gene: EGFR
UniProt: P00533 (EGFR_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.24
Assay: DRUGMATRIX: Protein Tyrosine Kinase, EGF Receptor enzyme inhibition (substrate: Poly(Glu:Tyr))
Drug: zafirlukast
Target: Peroxisome proliferator-activated receptor gamma (Nuclear hormone receptor)
Gene: PPARG
UniProt: P37231 (PPARG_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 5.61
Assay: Partial agonist activity at human PPARgamma LBD expressed HEK293T cells after 12 to 14 hrs by dual-glo luciferase reporter gene assay
Drug: zafirlukast
Target: Thromboxane-A synthase (Enzyme)
Gene: TBXAS1
UniProt: P24557 (THAS_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.419
Assay: DRUGMATRIX: Thromboxane Synthetase enzyme inhibition (substrate: PGH2)
Drug: zafirlukast
Target: Mitogen-activated protein kinase 3 (Kinase)
Gene: MAPK3
UniProt: P27361 (MK03_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.359
Assay: DRUGMATRIX: Protein Serine/Threonine Kinase, ERK1 enzyme inhibition (substrate: Myelin Basic Protein)
Drug: zafirlukast
Target: Cysteinyl leukotriene receptor 2 (GPCR)
Gene: CYSLTR2
UniProt: Q9NS75 (CLTR2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.15
Action type: ANTAGONIST
Drug: zafirlukast
Target: Mitogen-activated protein kinase 14 (Kinase)
Gene: MAPK14
UniProt: Q16539 (MK14_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.452
Assay: DRUGMATRIX: Protein Serine/Threonine Kinase, p38alpha enzyme inhibition (substrate: Myelin Basic Protein)
Drug: zafirlukast
Target: Leukotriene B4 receptor 1 (GPCR)
Gene: LTB4R
UniProt: Q15722 (LT4R1_HUMAN)
Organism: Homo sapiens
Activity: Ki  5.147
Drug: zafirlukast
Target: Bifunctional epoxide hydrolase 2 (Enzyme)
Gene: EPHX2
UniProt: P34913 (HYES_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.7
Assay: Inhibition of recombinant human sEH using PHOME as substrate preincubated for 30 mins followed by substrate addition and measured after 30 mins by spectrofluorimetry
Drug: zafirlukast
Target: Mitogen-activated protein kinase 1 (Kinase)
Gene: MAPK1
UniProt: P28482 (MK01_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.269
Assay: DRUGMATRIX: Protein Serine/Threonine Kinase, ERK2 enzyme inhibition (substrate: Myelin Basic Protein)
Drug: zafirlukast
Target: Cysteinyl leukotriene receptor 1 (GPCR)
Gene: CYSLTR1
UniProt: Q2NNR5 (CLTR1_CAVPO)
Organism: Cavia porcellus
Activity: Ki = 9.52
Assay: Displacement of [3H]LTD4 on guinea pig lung parenchymal membranes
Drug: zafirlukast
Target: Solute carrier family 22 member 2 (Transporter)
Gene: SLC22A2
UniProt: O15244 (S22A2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.01
Assay: Inhibition of human OCT2-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay
Drug: zafirlukast
Target: Multidrug and toxin extrusion protein 1 (Transporter)
Gene: SLC47A1
UniProt: Q96FL8 (S47A1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.89
Assay: Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay
Drug: zafirlukast
Target: Multidrug and toxin extrusion protein 2 (Transporter)
Gene: SLC47A2
UniProt: Q86VL8 (S47A2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.12
Assay: Inhibition of human MATE2K-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay