AIM-Harvard/TrialPanorama-filtered huggingface dataset:
Drug: terazosin
Target: Alpha-2B adrenergic receptor (GPCR)
Gene: ADRA2B
UniProt: P18089 (ADA2B_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.93
Drug: terazosin
Target: Alpha-2C adrenergic receptor (GPCR)
Gene: ADRA2C
UniProt: P18825 (ADA2C_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.88
Drug: terazosin
Target: Alpha-1D adrenergic receptor (GPCR)
Gene: ADRA1D
UniProt: P25100 (ADA1D_HUMAN)
Organism: Homo sapiens
Activity: Ki = 9.2
Action type: ANTAGONIST
Drug: terazosin
Target: Alpha-1B adrenergic receptor (GPCR)
Gene: ADRA1B
UniProt: P35368 (ADA1B_HUMAN)
Organism: Homo sapiens
Activity: Ki = 9.08
Action type: ANTAGONIST
Drug: terazosin
Target: Ribosyldihydronicotinamide dehydrogenase [quinone] (Enzyme)
Gene: NQO2
UniProt: P16083 (NQO2_HUMAN)
Organism: Homo sapiens
Drug: terazosin
Target: Solute carrier family 22 member 1 (Transporter)
Gene: SLC22A1
UniProt: O15245 (S22A1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.63
Assay: Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells by confocal microscopy
Drug: terazosin
Target: Alpha-1B adrenergic receptor (GPCR)
Gene: Adra1b
UniProt: P15823 (ADA1B_RAT)
Organism: Rattus norvegicus
Activity: Ki = 8.72
Assay: Compound was evaluated for its ability to displace [125I]HEAT binding from rat Alpha-1B adrenergic receptor
Drug: terazosin
Target: Alpha-1A adrenergic receptor (GPCR)
Gene: Adra1a
UniProt: P43140 (ADA1A_RAT)
Organism: Rattus norvegicus
Activity: Ki = 9.09
Assay: In vitro binding affinity using [3H]prazosin as radioligand against adrenoceptor alpha 1A
Drug: terazosin
Target: Alpha-2B adrenergic receptor (GPCR)
Gene: Adra2b
UniProt: P19328 (ADA2B_RAT)
Organism: Rattus norvegicus
Activity: Ki = 8.11
Assay: Binding affinity against rat Alpha-2B adrenergic receptor using [3H]rauwolscine as radioligand
Drug: terazosin
Target: Alpha-1D adrenergic receptor (GPCR)
Gene: Adra1d
UniProt: P23944 (ADA1D_RAT)
Organism: Rattus norvegicus
Activity: Ki = 9
Assay: In vitro binding affinity using [3H]prazosin as radioligand against adrenoceptor alpha 1d expressed in LTK cell
Drug: terazosin
Target: Alpha-1A adrenergic receptor (GPCR)
Gene: ADRA1A
UniProt: P18130 (ADA1A_BOVIN)
Organism: Bos taurus
Activity: Ki = 7.59
Assay: Binding affinity against Alpha-1A adrenergic receptor from bovine clone
Drug: terazosin
Target: Alpha-1B adrenergic receptor (GPCR)
Gene: ADRA1B
UniProt: P18841 (ADA1B_MESAU)
Organism: Mesocricetus auratus
Activity: Ki = 9.16
Assay: In vitro binding affinity using [3H]prazosin as radioligand against adrenoceptor alpha 1b expressed in LTK cell
Drug: tetryzoline
Target: Adrenergic receptor alpha-2 (GPCR)
Gene: Adra2b|Adra2c|Adra2a
UniProt: P19328|P22086|P22909 (ADA2B_RAT|ADA2C_RAT|ADA2A_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 7.52
Assay: Binding affinity against Alpha-2 adrenergic receptor is the ability to inhibit the specific [3H]clonidine binding (0.4 nM) to rat isolated brain membranes by 50% was reported; 3.0*10e-8
Drug: tetryzoline
Target: Adrenergic receptor alpha-1 (GPCR)
Gene: Adra1b|Adra1d|Adra1a
UniProt: P15823|P23944|P43140 (ADA1B_RAT|ADA1D_RAT|ADA1A_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 5.8
Assay: Binding affinity against alpha-1 adrenergic receptor is the ability to inhibit the specific [3H]prazosin binding (0.2 nM) to rat isolated brain membranes by 50% was reported; 1.6*10e-6
Drug: tetryzoline
Target: Adrenergic receptor alpha (GPCR)
Gene: Adra1b|Adra2b|Adra2c|Adra2a|Adra1d|Adra1a
UniProt: P15823|P19328|P22086|P22909|P23944|P43140 (ADA1B_RAT|ADA2B_RAT|ADA2C_RAT|ADA2A_RAT|ADA1D_RAT|ADA1A_RAT)
Organism: Rattus norvegicus
Activity: Ki = 7.96
Assay: Displacement of [3H]clonidine from alpha-adrenergic receptor in rat brain
Drug: tetryzoline
Target: Adrenergic receptor alpha (GPCR)
Gene: ADRA2A|ADRA2B|ADRA2C|ADRA1D|ADRA1A|ADRA1B
UniProt: P08913|P18089|P18825|P25100|P35348|P35368 (ADA2A_HUMAN|ADA2B_HUMAN|ADA2C_HUMAN|ADA1D_HUMAN|ADA1A_HUMAN|ADA1B_HUMAN)
Organism: Homo sapiens
Action type: AGONIST
Assay: Mechanism of Action; CHEMBL2095203; PROTEIN FAMILY
Drug: thiram
Target: Fatty-acid amide hydrolase 1 (Enzyme)
Gene: FAAH
UniProt: O00519 (FAAH1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.35
Assay: Inhibition of human recombinant FAAH-maltose binding protein
Drug: thiram
Target: Gamma-butyrobetaine dioxygenase (Enzyme)
Gene: BBOX1
UniProt: O75936 (BODG_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.24
Drug: thiram
Target: Monoglyceride lipase (Enzyme)
Gene: MGLL
UniProt: Q99685 (MGLL_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.01
Assay: Inhibition of human MGL activity using [3H]2-oleoylglycerol substrate by liquid scintillation counting
Drug: thiram
Target: Bifunctional protein GlmU (Enzyme)
Gene: glmU
UniProt: P9WMN3 (GLMU_MYCTU)
Organism: Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Activity: IC50 = 4.05
Assay: Active
Drug: thiram
Target: Protein-lysine 6-oxidase (Enzyme)
Gene: LOX
UniProt: P28300 (LYOX_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.98
Assay: Inhibition of recombinant human LOX expressed in HEK293 cells using diaminopentane as substrate preincubated for 30 mins followed by substrate addition measured after 1 hr by fluorimetric method
Drug: thiram
Target: Lysyl oxidase homolog 3 (Enzyme)
Gene: LOXL3
UniProt: P58215 (LOXL3_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.96
Assay: Inhibition of recombinant human LOXL3 expressed in CHO cells using diaminopentane as substrate preincubated for 30 mins followed by substrate addition measured after 1 hr by fluorimetric method
Drug: thiram
Target: Lysyl oxidase homolog 4 (Enzyme)
Gene: LOXL4
UniProt: Q96JB6 (LOXL4_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.75
Assay: Inhibition of recombinant human LOXL4 expressed in baculovirus infected insect cells using diaminopentane as substrate preincubated for 30 mins followed by substrate addition measured after 1 hr by fluorimetric method
Drug: thiram
Target: Histone-lysine N-methyltransferase EHMT2 (Enzyme)
Gene: EHMT2
UniProt: Q96KQ7 (EHMT2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.26
Assay: Inhibition of wild type recombinant human histone lysine methyltransferase G9a (913 to 1193 residues) expressed in Escherichia coli Rosetta BL21 DE3 PlysS using ARTKQTARKSTGGKA as substrate preincubated for 5 mins followed by substrate/SAM addition measured after 60 mins by MALDI-TOF MS analysis
Drug: thiram
Target: Histone-lysine N-methyltransferase EHMT1 (Enzyme)
Gene: EHMT1
UniProt: Q9H9B1 (EHMT1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.96
Assay: Inhibition of wild type recombinant human histone lysine methyltransferase GLP (951 to 1235 residues) expressed in Escherichia coli Rosetta BL21 DE3 PlysS using ARTKQTARKSTGGKA as substrate preincubated for 5 mins followed by substrate/SAM addition measured after 60 mins by MALDI-TOF MS analysis
Drug: thiram
Target: Lysyl oxidase homolog 2 (Enzyme)
Gene: LOXL2
UniProt: Q9Y4K0 (LOXL2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.77
Assay: Inhibition of recombinant LOXL2 (unknown origin) expressed in NS0 cells using diaminopentane as substrate preincubated for 30 mins followed by substrate addition measured after 1 hr by fluorimetric method
Drug: thyropropic acid
Target: Thyroid hormone receptor alpha (Nuclear hormone receptor)
Gene: THRA
UniProt: P10827 (THA_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 10.39
Assay: Concentration required to inhibit 50% of I-T3 binding to hTR1 (Thyroid hormone receptor alpha) was determined
Drug: thyropropic acid
Target: Thyroid hormone receptor beta (Nuclear hormone receptor)
Gene: THRB
UniProt: P10828 (THB_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 10.72
Assay: Concentration required to inhibit 50% of I-T3 binding to hTR1 (Thyroid hormone receptor beta) was determined
Drug: thyropropic acid
Target: Proliferating cell nuclear antigen (Nuclear other)
Gene: PCNA
UniProt: P12004 (PCNA_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.77
Assay: Inhibition of human recombinant PCNA interaction with PIP box protein N-5-carboxyfluorescein-SAVLQKKITDYFHPKK after 30 mins by fluorescence polarization assay
Drug: tioxolone
Target: Carbonic anhydrase 2 (Enzyme)
Gene: CA2
UniProt: P00918 (CAH2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.75
Assay: Inhibition of human recombinant carbonic anhydrase 2 assessed as activity of carbonic anhydrase 2 esterase activity against 4-nitrophenyl acetate
Drug: tioxolone
Target: Amine oxidase [flavin-containing] B (Enzyme)
Gene: MAOB
UniProt: P27338 (AOFB_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.02
Assay: Inhibition of recombinant human MAO-B after 20 mins using 50 uM kynuramine as substrate by fluorescence spectrophotometry
Drug: tioxolone
Target: Amine oxidase [flavin-containing] A (Enzyme)
Gene: MAOA
UniProt: P21397 (AOFA_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.01
Assay: Inhibition of recombinant human MAO-A after 20 mins using 50 uM kynuramine as substrate by fluorescence spectrophotometry
Drug: tipranavir
Target: Multidrug resistance protein 1 (Transporter)
Gene: ABCB1
UniProt: P08183 (MDR1_HUMAN)
Organism: Homo sapiens
Drug: tipranavir
Target: Cathepsin D (Enzyme)
Gene: CTSD
UniProt: P07339 (CATD_HUMAN)
Organism: Homo sapiens
Activity: Ki = 4.82
Assay: Compound was tested for inhibition human Cathepsin D
Drug: tipranavir
Target: Pol polyprotein (Enzyme)
Gene: pol
UniProt: Q72874 (Q72874_9HIV1)
Organism: Human immunodeficiency virus 1
Activity: IC50 = 7.52
Action type: INHIBITOR
Assay: Tested for inhibition of HIV protease
Drug: tipranavir
Target: CAAX prenyl protease 1 homolog (Enzyme)
Gene: Zmpste24
UniProt: Q80W54 (FACE1_MOUSE)
Organism: Mus musculus
Activity: IC50 = 5.92
Assay: Inhibition of mouse ZMPSTE24 expressed n delta ste24 delta rce1 yeast
Drug: tipranavir
Target: Cathepsin E (Enzyme)
Gene: CTSE
UniProt: P14091 (CATE_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.05
Assay: Compound was tested for inhibition human Cathepsin E
Drug: tipranavir
Target: Pepsin A-5 (Enzyme)
Gene: PGA5
UniProt: P0DJD9 (PEPA5_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.7
Assay: Inhibition of human pepsin
Drug: tiratricol
Target: Thyroid hormone receptor alpha (Nuclear hormone receptor)
Gene: THRA
UniProt: P10827 (THA_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 9.85
Assay: Concentration required to inhibit 50% of I-T3 binding to hTR1 (Thyroid hormone receptor alpha) was determined
Drug: tiratricol
Target: Thyroid hormone receptor beta (Nuclear hormone receptor)
Gene: THRB
UniProt: P10828 (THB_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 10.39
Assay: Inhibition of thyroid hormone receptor beta
Drug: tiratricol
Target: Androgen receptor (Nuclear hormone receptor)
Gene: AR
UniProt: P10275 (ANDR_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.46
Assay: Transcriptional activity at human androgen receptor BF3 site stably transfected in eGFP-expressing human LNCAP cells after 5 days by fluorometric analysis
Drug: tiratricol
Target: Thyroid hormone receptor beta (Transcription factor)
Gene: Thrb
UniProt: P18113 (THB_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 9.82
Assay: In vitro inhibition of the bound [125I]L-T3 rat liver nuclear L-triiodothyronine receptor
Drug: tiratricol
Target: Proliferating cell nuclear antigen (Nuclear other)
Gene: PCNA
UniProt: P12004 (PCNA_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.6
Assay: Inhibition of human recombinant PCNA interaction with PIP box protein N-5-carboxyfluorescein-SAVLQKKITDYFHPKK after 30 mins by fluorescence polarization assay
Drug: tiratricol
Target: Sodium/bile acid cotransporter (Transporter)
Gene: SLC10A1
UniProt: Q14973 (NTCP_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.16
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: Vitamin E
Target: Glutathione S-transferase P (Enzyme)
Gene: GSTP1
UniProt: P09211 (GSTP1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.3
Assay: Inhibition of human GSTP1-1
Drug: Vitamin E
Target: Alpha-tocopherol transfer protein (Transporter)
Gene: TTPA
UniProt: P49638 (TTPA_HUMAN)
Organism: Homo sapiens
Activity: Kd = 5.62
Assay: Displacement of NBD-Toc from human recombinant alphaTTP
Drug: toliprolol
Target: Beta-1 adrenergic receptor (GPCR)
Gene: ADRB1
UniProt: P08588 (ADRB1_HUMAN)
Organism: Homo sapiens
Activity: Kd = 9.42
Assay: Binding affinity to beta-1 adrenergic receptor
Drug: toliprolol
Target: Beta-2 adrenergic receptor (GPCR)
Gene: ADRB2
UniProt: P07550 (ADRB2_HUMAN)
Organism: Homo sapiens
Activity: Kd = 8.92
Assay: Binding affinity to beta2 adrenergic receptor
Drug: toliprolol
Target: Beta-2 adrenergic receptor (GPCR)
Gene: ADRB2
UniProt: Q28044 (ADRB2_BOVIN)
Organism: Bos taurus
Activity: Kd = 7.36
Assay: Affinity for cow beta-2 adrenergic receptor by measuring displacement (-)-[3H]dihydroalprenolol (DHA)
Drug: toliprolol
Target: Beta-1 adrenergic receptor (GPCR)
Gene: ADRB1
UniProt: B0FL73 (B0FL73_CAVPO)
Organism: Cavia porcellus
Activity: Kd = 8.75
Assay: Beta-1 adrenergic receptor activation measured by isoprenaline-induced positive inotropic effect in guinea pig left atrium
Drug: tolnaftate
Target: 5-hydroxytryptamine receptor 2B (GPCR)
Gene: HTR2B
UniProt: P41595 (5HT2B_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.894
Assay: DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)
Drug: tolnaftate
Target: Cytochrome P450 2C19 (Enzyme)
Gene: CYP2C19
UniProt: P33261 (CP2CJ_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.523
Assay: DRUGMATRIX: CYP450, 2C19 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)
Drug: tolnaftate
Target: Lanosterol 14-alpha demethylase (Enzyme)
Gene: CYP51A1
UniProt: Q16850 (CP51A_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.3
Assay: Inhibition of human CYP51 expressed in Topp 3 cells by lanosterol demethylase assay
Drug: tramazoline
Target: Alpha-2A adrenergic receptor (GPCR)
Gene: ADRA2A
UniProt: P08913 (ADA2A_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.5
Drug: tramazoline
Target: Alpha-2B adrenergic receptor (GPCR)
Gene: ADRA2B
UniProt: P18089 (ADA2B_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.86
Drug: tramazoline
Target: Alpha-2C adrenergic receptor (GPCR)
Gene: ADRA2C
UniProt: P18825 (ADA2C_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.56
Drug: tramazoline
Target: Adrenergic receptor alpha-2 (GPCR)
Gene: Adra2b|Adra2c|Adra2a
UniProt: P19328|P22086|P22909 (ADA2B_RAT|ADA2C_RAT|ADA2A_RAT)
Organism: Rattus norvegicus
Activity: Ki = 8.38
Assay: Displacement of [3H]clonidine from Alpha-2 adrenergic receptor of rat brain membranes
Drug: tramazoline
Target: Adrenergic receptor alpha-1 (GPCR)
Gene: Adra1b|Adra1d|Adra1a
UniProt: P15823|P23944|P43140 (ADA1B_RAT|ADA1D_RAT|ADA1A_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 5.96
Assay: 50% inhibition of specific [3H]prazosin binding (0.4 nM) to Alpha-2 adrenergic receptors in rat isolated brain membranes
Drug: triclocarban
Target: Bifunctional epoxide hydrolase 2 (Enzyme)
Gene: EPHX2
UniProt: P34913 (HYES_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.89
Assay: Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate after 10 mins by fluorescent assay
Drug: triclocarban
Target: Epoxide hydrolase; Epoxide hydrolase EphB (Enzyme)
UniProt: P95276 (P95276_MYCTO)
Organism: Mycobacterium tuberculosis (strain CDC 1551 / Oshkosh)
Activity: IC50 = 6.66
Assay: Inhibition of Mycobacterium tuberculosis recombinant EphB expressed in Escherichia coli BL21 using CMNPC as substrate after 30 mins by fluorescent assay relative to control
Drug: triclocarban
Target: Epoxide hydrolase 1 (Enzyme)
Gene: EPHX1
UniProt: P07099 (HYEP_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.92
Drug: triclocarban
Target: Epoxide hydrolase 1 (Enzyme)
Gene: Ephx1
UniProt: Q9D379 (HYEP_MOUSE)
Organism: Mus musculus
Activity: IC50 = 6.44
Drug: triclosan
Target: Enoyl-[acyl-carrier-protein] reductase [NADH] (Enzyme)
Gene: inhA
UniProt: P9WGR1 (INHA_MYCTU)
Organism: Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Activity: Ki = 6.7
Assay: Inhibition of Mycobacterium tuberculosis H37RV InhA
Drug: triclosan
Target: Carbonyl reductase [NADPH] 1 (Enzyme)
Gene: CBR1
UniProt: P16152 (CBR1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.22
Assay: Binding affinity to human recombinant carbonyl reductase 1 expressed in Escherichia coli assessed as NADPH oxidation using isatin as substrate
Drug: triclosan
Target: Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Enzyme)
Gene: fabI
UniProt: Q6GI75 (FABI_STAAR)
Organism: Staphylococcus aureus (strain MRSA252)
Activity: IC50 = 7.15
Assay: Inhibitory activity against Enoyl-ACP reductase FabI in Staphylococcus aureus
Drug: triclosan
Target: Enoyl-[acyl-carrier-protein] reductase [NADH] FabI (Enzyme)
Gene: fabI
UniProt: P0AEK4 (FABI_ECOLI)
Organism: Escherichia coli (strain K12)
Activity: IC50 = 6.37
Action type: INHIBITOR
Assay: Antibacterial activity against Escherichia coli FabI
Drug: triclosan
Target: Enoyl-acyl-carrier protein reductase (Enzyme)
Gene: fabI
UniProt: Q965D5 (Q965D5_PLAFA)
Organism: Plasmodium falciparum
Activity: Ki = 10.28
Assay: Inhibition of Plasmodium falciparum ENR in presence of ECG by dilution assay
Drug: triclosan
Target: Enoyl-[acyl-carrier-protein] reductase [NADH] FabI (Enzyme)
Gene: fabI
UniProt: P54616 (FABI_BACSU)
Organism: Bacillus subtilis (strain 168)
Activity: IC50 = 6.3
Assay: Inhibition of Bacillus anthracis Enoyl ACP reductase
Drug: triclosan
Target: Enoyl-acyl carrier reductase; Enoyl-acyl carrier reductase ENR (Enzyme)
Gene: ENR
UniProt: Q6UCJ9 (Q6UCJ9_TOXGO)
Organism: Toxoplasma gondii
Activity: IC50 = 7.82
Assay: Inhibition of Toxoplasma gondii enoyl reductase assessed as conversion of trans-2-acyl-ACP to acyl-ACP
Drug: triclosan
Target: Enoyl-ACP reductase (Enzyme)
Gene: FabI
UniProt: Q9BJJ9 (Q9BJJ9_PLAFA)
Organism: Plasmodium falciparum
Activity: IC50 = 6.7
Assay: Inhibition of Plasmodium falciparum Enoyl-ACP reductase using crotonyl-CoA as substrate peincubated for 5 mins measured after 10 mins of substrate addition by UV-vis spectrophotometry
Drug: triclosan
Target: Enoyl-[acyl-carrier-protein] reductase [NADPH] (Enzyme)
Gene: fabI
UniProt: Q9RMI3 (Q9RMI3_STAAU)
Organism: Staphylococcus aureus
Activity: IC50 = 7.23
Assay: Inhibition of Staphylococcus aureus recombinant FabI using trans-2-octenoyl N-acetylcysteamine thioester as substrate preincubated for 60 mins
Drug: triclosan
Target: Enoyl-[acyl-carrier-protein] reductase [NADH] (Enzyme)
Gene: fabI
UniProt: Q5NGQ3 (Q5NGQ3_FRATT)
Organism: Francisella tularensis subsp. tularensis (strain SCHU S4 / Schu 4)
Activity: IC50 = 5.89
Assay: Inhibition of C-terminal His6-tagged wild type Francisella tularensis SCHU S4 FabI expressed in Escherichia coli BL21 (DE3) using CrCoA as substrate by UV-vis spectrophotometric analysis in presence of non pre-equilibrated NAD+
Drug: triclosan
Target: Enoyl-[acyl-carrier-protein] reductase [NULLDH] (Enzyme)
Gene: inhA
UniProt: M9TGV3 (M9TGV3_MYCTX)
Organism: Mycobacterium tuberculosis
Activity: Ki = 6.7
Assay: Uncompetitive inhibition of Mycobacterium tuberculosis InhA using trans-2-dodecenoyl-CoA as substrate in presence of NADH
Drug: triclosan
Target: 78 kDa glucose-regulated protein (Unclassified)
Gene: HSPA5
UniProt: P11021 (GRP78_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4
Assay: Inhibition of GRP78 (26 to 636 residues) (unknown origin) expressed in Escherichia coli BL21 DE3 cells pre-incubated for 10 mins before FITC-NRLLLTG fluorescent peptide addition in presence of 20 uM ADP followed by further incubation for 2 hrs by fluorescence polarization assay
Drug: uridine triphosphate
Target: P2Y purinoceptor 4 (GPCR)
Gene: P2RY4
UniProt: P51582 (P2RY4_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 6.3
Action type: AGONIST
Drug: uridine triphosphate
Target: P2Y purinoceptor 6 (GPCR)
Gene: P2RY6
UniProt: Q15077 (P2RY6_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 5.2
Action type: AGONIST
Drug: uridine triphosphate
Target: P2Y purinoceptor 2 (GPCR)
Gene: P2RY2
UniProt: P41231 (P2RY2_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 8.1
Action type: AGONIST
Drug: uridine triphosphate
Target: P2Y purinoceptor 11 (GPCR)
Gene: P2RY11
UniProt: Q96G91 (P2Y11_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 5.2
Action type: AGONIST
Drug: uridine triphosphate
Target: P2X purinoceptor 3 (Ion channel)
Gene: P2RX3
UniProt: P56373 (P2RX3_HUMAN)
Organism: Homo sapiens
Activity: Ki  5.583
Drug: uridine triphosphate
Target: P2Y purinoceptor 4 (GPCR)
Gene: P2ry4
UniProt: O35811 (P2RY4_RAT)
Organism: Rattus norvegicus
Activity: EC50 = 5.6
Action type: AGONIST
Drug: vildagliptin
Target: Prolyl endopeptidase FAP (Enzyme)
Gene: FAP
UniProt: Q12884 (SEPR_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.43
Assay: Inhibition of 6xHis-tagged recombinant FAP (unknown origin) expressed in baculovirus expression system assessed as hydrolysis of Nle-Pro-aminomethylcoumarin after 20 mins by fluorometric assay
Drug: vildagliptin
Target: Dipeptidyl peptidase 8 (Enzyme)
Gene: DPP8
UniProt: Q6V1X1 (DPP8_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.09
Assay: Inhibition of DPP8
Drug: vildagliptin
Target: Dipeptidyl peptidase 9 (Enzyme)
Gene: DPP9
UniProt: Q86TI2 (DPP9_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.17
Assay: Inhibition of DPP9
Drug: vildagliptin
Target: Prolyl endopeptidase FAP (Enzyme)
Gene: Fap
UniProt: P97321 (SEPR_MOUSE)
Organism: Mus musculus
Activity: IC50 = 4.28
Assay: Inhibition of mouse recombinant FAP expressed in HEK293 cells assessed as pNA release from Ala-Pro-p-nitroanilide pre-incubated with enzyme for 15 mins prior to substrate addition by fluorescence technique
Drug: vildagliptin
Target: Dipeptidyl peptidase 9 (Unclassified)
Gene: DPP9
UniProt: E1BI31 (E1BI31_BOVIN)
Organism: Bos taurus
Activity: IC50 = 6.17
Assay: Inhibition of bovine DPP9
Drug: vildagliptin
Target: Dipeptidyl peptidase IV (Unclassified)
Gene: DPP IV
UniProt: O31048 (O31048_PORGN)
Organism: Porphyromonas gingivalis
Activity: Ki = 7.77
Assay: Inhibition of Porphyromonas gingivalis N-terminal His-tagged DPP4 expressed in Escherichia coli using Gly-Pro-p-nitroanilide as substrate preincubated for 15 mins
Drug: vildagliptin
Target: Dipeptidyl peptidase 4 (Enzyme)
Gene: DPP4
UniProt: P27487 (DPP4_HUMAN)
Organism: Homo sapiens
Activity: Ki = 8.52
Action type: INHIBITOR
Assay: Inhibition of DPP4 in human plasma using Gly-Pro-AMC as substrate by fluorimetric analysis
Drug: vincamine
Target: Muscarinic acetylcholine receptor M1 (GPCR)
Gene: CHRM1
UniProt: P11229 (ACM1_HUMAN)
Organism: Homo sapiens
Activity: Kd = 4.8
Action type: ALLOSTERIC MODULATOR
Drug: vincamine
Target: Muscarinic acetylcholine receptor M2 (GPCR)
Gene: CHRM2
UniProt: P08172 (ACM2_HUMAN)
Organism: Homo sapiens
Activity: Kd = 5.1
Action type: ALLOSTERIC MODULATOR
Drug: vincamine
Target: Muscarinic acetylcholine receptor M3 (GPCR)
Gene: CHRM3
UniProt: P20309 (ACM3_HUMAN)
Organism: Homo sapiens
Activity: Kd = 5.7
Action type: ALLOSTERIC MODULATOR
Drug: vincamine
Target: Muscarinic acetylcholine receptor M4 (GPCR)
Gene: CHRM4
UniProt: P08173 (ACM4_HUMAN)
Organism: Homo sapiens
Activity: Kd = 4.2
Action type: ALLOSTERIC MODULATOR
Drug: vinflunine
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: vorozole
Target: Aromatase (Enzyme)
Gene: CYP19A1
UniProt: P11511 (CP19A_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8.86
Action type: INHIBITOR
Assay: Inhibition of human placental microsome CYP19
Drug: xanomeline
Target: D(2) dopamine receptor (GPCR)
Gene: DRD2
UniProt: P14416 (DRD2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6
Drug: xanomeline
Target: 5-hydroxytryptamine receptor 1A (GPCR)
Gene: HTR1A
UniProt: P08908 (5HT1A_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.2
Action type: AGONIST
Drug: xanomeline
Target: 5-hydroxytryptamine receptor 2A (GPCR)
Gene: HTR2A
UniProt: P28223 (5HT2A_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.9
Action type: ANTAGONIST