AIM-Harvard/TrialPanorama-filtered huggingface dataset:
Drug: xanomeline
Target: 5-hydroxytryptamine receptor 2B (GPCR)
Gene: HTR2B
UniProt: P41595 (5HT2B_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.7
Action type: ANTAGONIST
Drug: xanomeline
Target: 5-hydroxytryptamine receptor 2C (GPCR)
Gene: HTR2C
UniProt: P28335 (5HT2C_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.4
Action type: ANTAGONIST
Drug: xanomeline
Target: 5-hydroxytryptamine receptor 6 (GPCR)
Gene: HTR6
UniProt: P50406 (5HT6R_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.9
Action type: AGONIST
Drug: xanomeline
Target: 5-hydroxytryptamine receptor 7 (GPCR)
Gene: HTR7
UniProt: P34969 (5HT7R_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.9
Action type: AGONIST
Drug: xanomeline
Target: D(3) dopamine receptor (GPCR)
Gene: DRD3
UniProt: P35462 (DRD3_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.4
Drug: xanomeline
Target: Muscarinic acetylcholine receptor M1 (GPCR)
Gene: CHRM1
UniProt: P11229 (ACM1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.38
Assay: Affinity towards human M1 receptor expressed in CHO cells using [3H]QNB as radioligand
Drug: xanomeline
Target: Muscarinic acetylcholine receptor M2 (GPCR)
Gene: CHRM2
UniProt: P08172 (ACM2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.92
Assay: Displacement of [3H]-AFDX-384 from human muscarinic M2 receptor expressed in CHO-K1 cells
Drug: xanomeline
Target: Muscarinic acetylcholine receptor M3 (GPCR)
Gene: CHRM3
UniProt: P20309 (ACM3_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.89
Assay: Displacement of [3H]-4-DAMP from human muscarinic M3 receptor expressed in BHK-21 cells
Drug: xanomeline
Target: Muscarinic acetylcholine receptor M4 (GPCR)
Gene: CHRM4
UniProt: P08173 (ACM4_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.14
Assay: Displacement of [3H]-4-DAMP from human muscarinic M4 receptor expressed in BHK-21 cells
Drug: xanomeline
Target: Muscarinic acetylcholine receptor M5 (GPCR)
Gene: CHRM5
UniProt: P08912 (ACM5_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.1
Assay: Displacement of [3H]-4-DAMP from human muscarinic M5 receptor expressed in BHK-21 cells
Drug: xanomeline
Target: 5-hydroxytryptamine receptor 1B (GPCR)
Gene: HTR1B
UniProt: P28222 (5HT1B_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.3
Action type: AGONIST
Drug: xanomeline
Target: 5-hydroxytryptamine receptor 1D (GPCR)
Gene: HTR1D
UniProt: P28221 (5HT1D_HUMAN)
Organism: Homo sapiens
Activity: Ki = 8.2
Action type: AGONIST
Drug: xanomeline
Target: Alpha-1B adrenergic receptor (GPCR)
Gene: ADRA1B
UniProt: P35368 (ADA1B_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.8
Drug: xanomeline
Target: 5-hydroxytryptamine receptor 1F (GPCR)
Gene: HTR1F
UniProt: P30939 (5HT1F_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.5
Action type: AGONIST
Drug: xanomeline
Target: 5-hydroxytryptamine receptor 1E (GPCR)
Gene: HTR1E
UniProt: P28566 (5HT1E_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.6
Action type: AGONIST
Drug: xanomeline
Target: Muscarinic acetylcholine receptor M2 (GPCR)
Gene: Chrm2
UniProt: P10980 (ACM2_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 7.8
Assay: In vitro Muscarinic acetylcholine receptor M2 binding was evaluated in rat brain membranes by using [3H]- Oxo-M
Drug: xanomeline
Target: Muscarinic acetylcholine receptor M1 (GPCR)
Gene: Chrm1
UniProt: P08482 (ACM1_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 8.7
Assay: Binding affinity for muscarinic acetylcholine receptor M1 using [3H]oxotremorine-M (Oxo-M) radioligand in rat hippocampus membranes
Drug: xanomeline
Target: Muscarinic acetylcholine receptor M1 (GPCR)
Gene: Chrm1
UniProt: P12657 (ACM1_MOUSE)
Organism: Mus musculus
Activity: EC50 = 5.24
Assay: Tested against Muscarinic acetylcholine receptor M1 expressed in A9 L cell line
Drug: xanomeline
Target: Muscarinic acetylcholine receptor (GPCR)
Gene: Chrm1|Chrm3|Chrm4|Chrm5|Chrm2
UniProt: P08482|P08483|P08485|P08911|P10980 (ACM1_RAT|ACM3_RAT|ACM4_RAT|ACM5_RAT|ACM2_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 8.01
Assay: Binding affinity against muscarinic receptor in rat brain membranes using oxotremorine-M as ligand
Drug: xylometazoline
Target: Alpha-2A adrenergic receptor (GPCR)
Gene: ADRA2A
UniProt: P08913 (ADA2A_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.82
Drug: xylometazoline
Target: Alpha-1A adrenergic receptor (GPCR)
Gene: ADRA1A
UniProt: P35348 (ADA1A_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.04
Assay: Binding affinity towards human Alpha-1 adrenergic receptor
Drug: xylometazoline
Target: 5-hydroxytryptamine receptor 1B (GPCR)
Gene: HTR1B
UniProt: P28222 (5HT1B_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.89
Assay: Binding affinity towards human 5-hydroxytryptamine 1B receptor
Drug: xylometazoline
Target: 5-hydroxytryptamine receptor 1D (GPCR)
Gene: HTR1D
UniProt: P28221 (5HT1D_HUMAN)
Organism: Homo sapiens
Activity: Ki = 9.15
Assay: Binding affinity towards human 5-hydroxytryptamine 1D receptor using [3H]5-HT trifluoroacetate as radioligand
Drug: xylometazoline
Target: Alpha-2C adrenergic receptor (GPCR)
Gene: ADRA2C
UniProt: P18825 (ADA2C_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.89
Drug: xylometazoline
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 = 7.64
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; 2.3*10e-8
Drug: xylometazoline
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 = 6.24
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; 5.8*10e-7
Drug: xylometazoline
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 = 8.32
Assay: Displacement of [3H]clonidine from alpha-adrenergic receptor in rat brain
Drug: xylometazoline
Target: Alpha-2B adrenergic receptor (GPCR)
Gene: ADRA2B
UniProt: P18089 (ADA2B_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.98
Action type: AGONIST
Drug: yohimbine
Target: D(2) dopamine receptor (GPCR)
Gene: DRD2
UniProt: P14416 (DRD2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.163
Assay: DRUGMATRIX: Dopamine D2L radioligand binding (ligand: [3H] Spiperone)
Drug: yohimbine
Target: Alpha-2A adrenergic receptor (GPCR)
Gene: ADRA2A
UniProt: P08913 (ADA2A_HUMAN)
Organism: Homo sapiens
Activity: Ki = 9.38
Action type: ANTAGONIST
Assay: Binding affinity against human Alpha-2A adrenergic receptor expressed stably in CHO cells using [3H]rauwolscine as radioligand
Drug: yohimbine
Target: 5-hydroxytryptamine receptor 1A (GPCR)
Gene: HTR1A
UniProt: P08908 (5HT1A_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.3
Action type: ANTAGONIST
Drug: yohimbine
Target: 5-hydroxytryptamine receptor 2B (GPCR)
Gene: HTR2B
UniProt: P41595 (5HT2B_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.9
Action type: ANTAGONIST
Drug: yohimbine
Target: 5-hydroxytryptamine receptor 6 (GPCR)
Gene: HTR6
UniProt: P50406 (5HT6R_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.106
Assay: DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT6 radioligand binding (ligand: [3H] Lysergic acid diethylamide)
Drug: yohimbine
Target: 5-hydroxytryptamine receptor 7 (GPCR)
Gene: HTR7
UniProt: P34969 (5HT7R_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.6
Action type: ANTAGONIST
Drug: yohimbine
Target: Alpha-1A adrenergic receptor (GPCR)
Gene: ADRA1A
UniProt: P35348 (ADA1A_HUMAN)
Organism: Homo sapiens
Activity: Kd = 6.4
Assay: Inhibition of specific [3H]prazosin binding (0.2 nM) to rat brain membranes alpha-1 adrenergic receptor
Drug: yohimbine
Target: Alpha-2B adrenergic receptor (GPCR)
Gene: ADRA2B
UniProt: P18089 (ADA2B_HUMAN)
Organism: Homo sapiens
Activity: Ki = 8.7
Action type: ANTAGONIST
Assay: Binding affinity against human alpha 2b-adrenergic receptor expressed stably in CHO cells using [3H]rauwolscine as radioligand
Drug: yohimbine
Target: D(3) dopamine receptor (GPCR)
Gene: DRD3
UniProt: P35462 (DRD3_HUMAN)
Organism: Homo sapiens
Activity: Ki  5.604
Drug: yohimbine
Target: 5-hydroxytryptamine receptor 1B (GPCR)
Gene: HTR1B
UniProt: P28222 (5HT1B_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.6
Action type: ANTAGONIST
Drug: yohimbine
Target: 5-hydroxytryptamine receptor 1D (GPCR)
Gene: HTR1D
UniProt: P28221 (5HT1D_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.7
Action type: ANTAGONIST
Drug: yohimbine
Target: Alpha-2C adrenergic receptor (GPCR)
Gene: ADRA2C
UniProt: P18825 (ADA2C_HUMAN)
Organism: Homo sapiens
Activity: Ki = 9.3
Action type: ANTAGONIST
Assay: Displacement of [3H]RX821002 from human recombinant alpha2C adrenoceptor expressed in CHO cells
Drug: yohimbine
Target: Cytochrome P450 2D6 (Enzyme)
Gene: CYP2D6
UniProt: P10635 (CP2D6_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.692
Assay: DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)
Drug: yohimbine
Target: Adenosine receptor A3 (GPCR)
Gene: ADORA3
UniProt: P0DMS8 (AA3R_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.02
Assay: Inhibitory concentration against human Adenosine A3 receptor expressed in HEK293 cells using 0.1 nM [3H]AB-MECA
Drug: yohimbine
Target: Alpha-1D adrenergic receptor (GPCR)
Gene: ADRA1D
UniProt: P25100 (ADA1D_HUMAN)
Organism: Homo sapiens
Activity: Ki = 8.8
Assay: Binding affinity against Alpha-1D adrenergic receptor, from human clones.
Drug: yohimbine
Target: Alpha-1B adrenergic receptor (GPCR)
Gene: ADRA1B
UniProt: P35368 (ADA1B_HUMAN)
Organism: Homo sapiens
Activity: Ki = 8.96
Assay: Binding affinity against Alpha-1B adrenergic receptor from hamster clones.
Drug: yohimbine
Target: 5-hydroxytryptamine receptor 5A (GPCR)
Gene: HTR5A
UniProt: P47898 (5HT5A_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.3
Action type: ANTAGONIST
Drug: yohimbine
Target: 5-hydroxytryptamine receptor 1F (GPCR)
Gene: HTR1F
UniProt: P30939 (5HT1F_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7
Action type: ANTAGONIST
Drug: yohimbine
Target: 5-hydroxytryptamine receptor 1E (GPCR)
Gene: HTR1E
UniProt: P28566 (5HT1E_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.9
Action type: ANTAGONIST
Drug: yohimbine
Target: DNA topoisomerase 1 (Enzyme)
Gene: TOP1
UniProt: P11387 (TOP1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.52
Assay: Inhibition of human recombinant DNA topoisomerase1
Drug: yohimbine
Target: Alpha-1B adrenergic receptor (GPCR)
Gene: Adra1b
UniProt: P15823 (ADA1B_RAT)
Organism: Rattus norvegicus
Activity: Ki = 6.182
Assay: DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)
Drug: yohimbine
Target: Alpha-1A adrenergic receptor (GPCR)
Gene: Adra1a
UniProt: P43140 (ADA1A_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 5.91
Drug: yohimbine
Target: Alpha-2B adrenergic receptor (GPCR)
Gene: Adra2b
UniProt: P19328 (ADA2B_RAT)
Organism: Rattus norvegicus
Activity: Ki = 8.7
Assay: Inhibition of [3H]- Yohimbine binding against rat kidney cortex Alpha-2B adrenergic receptor
Drug: yohimbine
Target: Alpha-1D adrenergic receptor (GPCR)
Gene: Adra1d
UniProt: P23944 (ADA1D_RAT)
Organism: Rattus norvegicus
Activity: Ki = 7.28
Assay: Binding affinity against Alpha-1D adrenergic receptor, from rat clones.
Drug: yohimbine
Target: D(2) dopamine receptor (GPCR)
Gene: Drd2
UniProt: P61169 (DRD2_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 5.95
Assay: In vitro inhibition of specific binding of [3H]-YM 09151-2 to Dopamine receptor D2 site in rat striatal tissue.
Drug: yohimbine
Target: 5-hydroxytryptamine receptor 1A (GPCR)
Gene: Htr1a
UniProt: P19327 (5HT1A_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 6.9
Drug: yohimbine
Target: 5-hydroxytryptamine receptor 2A (GPCR)
Gene: Htr2a
UniProt: P14842 (5HT2A_RAT)
Organism: Rattus norvegicus
Activity: Ki = 5.79
Assay: Binding affinity for 5-HT 2A in rat stomach fundus
Drug: yohimbine
Target: 5-hydroxytryptamine receptor 2B (GPCR)
Gene: Htr2b
UniProt: P30994 (5HT2B_RAT)
Organism: Rattus norvegicus
Activity: Ki = 7.3
Action type: ANTAGONIST
Drug: yohimbine
Target: Voltage-dependent L-type calcium channel subunit alpha-1C (Ion channel)
Gene: Cacna1c
UniProt: P22002 (CAC1C_RAT)
Organism: Rattus norvegicus
Activity: Ki = 7.35
Assay: Inhibition of [3H]nitrendipine binding to membrane homogenates of rat cardiac muscle.
Drug: yohimbine
Target: Alpha-1A adrenergic receptor (GPCR)
Gene: ADRA1A
UniProt: P18130 (ADA1A_BOVIN)
Organism: Bos taurus
Activity: Ki = 8.44
Assay: Compound was evaluated for inhibition of binding of [3H]yohimbine to Alpha-2 adrenergic receptor in bovine pineal
Drug: yohimbine
Target: Alpha-2A adrenergic receptor (GPCR)
Gene: ADRA2A
UniProt: P18871 (ADA2A_PIG)
Organism: Sus scrofa
Activity: Ki = 8.36
Assay: Compound was evaluated for inhibition of binding of [3H]yohimbine to Alpha-2 adrenergic receptor in porcine alpha2-clone
Drug: yohimbine
Target: D(3) dopamine receptor (GPCR)
Gene: Drd3
UniProt: P19020 (DRD3_RAT)
Organism: Rattus norvegicus
Activity: Ki = 5.61
Assay: Tested for binding affinity against dopamine receptor D3 expressed in Sf9 cells.
Drug: yohimbine
Target: Alpha-2A adrenergic receptor (GPCR)
Gene: ADRA2A
UniProt: Q28838 (ADA2A_BOVIN)
Organism: Bos taurus
Activity: Ki = 7.31
Assay: Binding activity against alpha-2 adrenergic receptor from calf cerebral cortex, using [3H]clonidine as the radioligand
Drug: yohimbine
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 = 9.22
Assay: Compound was evaluated for inhibition of binding of [3H]-yohimbine to Alpha-2 adrenergic receptor in alpha-2 C4
Drug: yohimbine
Target: Dopamine receptor (GPCR)
Gene: Drd1|Drd3|Drd5|Drd4|Drd2
UniProt: P18901|P19020|P25115|P30729|P61169 (DRD1_RAT|DRD3_RAT|DRD5_RAT|DRD4_RAT|DRD2_RAT)
Organism: Rattus norvegicus
Activity: Ki = 5.7
Assay: In vitro binding affinity to Dopamine receptors of rat striatal membranes by [3H]spiroperidol displacement.
Drug: yohimbine
Target: Sodium channel alpha subunits; brain (Types I, II, III) (Ion channel)
Gene: SCN1A|SCN2A|SCN3A
UniProt: P35498|Q99250|Q9NY46 (SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.48
Assay: Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea pig cerebral cortex
Drug: yohimbine
Target: Alpha-2 adrenergic receptor (GPCR)
Gene: Adra2b|Adra2c|Adra2a
UniProt: P30545|Q01337|Q01338 (ADA2B_MOUSE|ADA2C_MOUSE|ADA2A_MOUSE)
Organism: Mus musculus
Activity: Ki = 9.22
Assay: Compound was evaluated for inhibition of binding of [3H]yohimbine to Alpha-2 adrenergic receptor in NG-108 cell
Drug: yohimbine
Target: Dual specificity phosphatase Cdc25A (Enzyme)
Gene: CDC25A
UniProt: P30304 (MPIP1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.65
Assay: Inhibition of His-tagged Cdc25A expressed in the Escherichia coli BL21(DE3) using p-nitrophenyl phosphate as substrate for 80 mins by spectrophotometry
Drug: yohimbine
Target: 5-hydroxytryptamine receptor 1B (GPCR)
Gene: Htr1b
UniProt: P28334 (5HT1B_MOUSE)
Organism: Mus musculus
Activity: Ki = 8.3
Action type: ANTAGONIST
Drug: yohimbine
Target: 5-hydroxytryptamine receptor 5A (GPCR)
Gene: Htr5a
UniProt: P30966 (5HT5A_MOUSE)
Organism: Mus musculus
Activity: Ki = 6
Action type: ANTAGONIST
Drug: yohimbine
Target: 5-hydroxytryptamine receptor 1F (GPCR)
Gene: Htr1f
UniProt: P30940 (5HT1F_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 6.2
Action type: ANTAGONIST
Drug: azacyclonol
Target: Histamine H1 receptor (GPCR)
Gene: HRH1
UniProt: P35367 (HRH1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.18
Assay: Displacement of [3H]pyrilamine from human recombinant histamine H1 receptor expressed in CHO cell by Betaplate scintillation counting
Drug: azacyclonol
Target: Sodium channel alpha subunits; brain (Types I, II, III) (Ion channel)
Gene: SCN1A|SCN2A|SCN3A
UniProt: P35498|Q99250|Q9NY46 (SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.85
Assay: Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea pig cerebral cortex
Drug: benzylsulfamide
Target: Carbonic anhydrase 2 (Enzyme)
Gene: CA2
UniProt: P00918 (CAH2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.67
Assay: Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay
Drug: benzylsulfamide
Target: Carbonic anhydrase 1 (Enzyme)
Gene: CA1
UniProt: P00915 (CAH1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.93
Assay: Inhibition of human carbonic anhydrase 1-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay
Drug: benzylsulfamide
Target: Carbonic anhydrase 9 (Enzyme)
Gene: CA9
UniProt: Q16790 (CAH9_HUMAN)
Organism: Homo sapiens
Activity: Ki = 8.66
Assay: Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase assay
Drug: benzylsulfamide
Target: Carbonic anhydrase 12 (Enzyme)
Gene: CA12
UniProt: O43570 (CAH12_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.7
Assay: Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase assay
Drug: bropirimine
Target: Xanthine dehydrogenase/oxidase (Enzyme)
Gene: XDH
UniProt: P47989 (XDH_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6
Assay: Inhibition of C-terminally FLAG-tagged human xanthine oxidase (amino acid 1 to 1333) expressed in baculovirus system after 15 mins by spectrophotometry
Drug: chlorthenoxazine
Target: Poly [ADP-ribose] polymerase 1 (Enzyme)
Gene: PARP1
UniProt: P09874 (PARP1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.07
Assay: The compound was tested for poly(ADP-ribose)-polymerase (PARP) inhibition
Drug: ciramadol
Target: Mu-type opioid receptor (GPCR)
Gene: OPRM1
UniProt: P35372 (OPRM_HUMAN)
Organism: Homo sapiens
Action type: MODULATOR
Assay: Mechanism of Action
Drug: clobenztropine
Target: Sodium-dependent dopamine transporter (Transporter)
Gene: Slc6a3
UniProt: P23977 (SC6A3_RAT)
Organism: Rattus norvegicus
Activity: Ki = 7.52
Assay: Compound was evaluated for its ability to displace [3H]WIN-35428 binding in rat caudate-putamen
Drug: diperodon
Target: Sodium channel alpha subunits; brain (Types I, II, III) (Ion channel)
Gene: SCN1A|SCN2A|SCN3A
UniProt: P35498|Q99250|Q9NY46 (SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.89
Assay: Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea pig cerebral cortex
Drug: meprylcaine
Target: Sodium channel alpha subunits; brain (Types I, II, III) (Ion channel)
Gene: SCN1A|SCN2A|SCN3A
UniProt: P35498|Q99250|Q9NY46 (SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.12
Assay: Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea pig cerebral cortex
Drug: myrtecaine
Target: Potassium voltage-gated channel subfamily H member 2 (Ion channel)
Gene: KCNH2
UniProt: Q12809 (KCNH2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.316
Assay: DRUGMATRIX: Potassium Channel HERG radioligand binding (ligand: [3H] Astemizole)
Drug: parethoxycaine
Target: Sodium channel alpha subunits; brain (Types I, II, III) (Ion channel)
Gene: SCN1A|SCN2A|SCN3A
UniProt: P35498|Q99250|Q9NY46 (SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.62
Assay: Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea pig cerebral cortex
Drug: tasosartan
Target: Angiotensin II receptor (AT-1) type-1 (GPCR)
Gene: Agtr1|Agtr1b
UniProt: P25095|P29089 (AGTRA_RAT|AGTRB_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 8.92
Assay: Compound was evaluated for the in vitro inhibition of specific binding of [125I]-A II to Angiotensin II receptor, type 1 from rat adrenal membranes.
Drug: tasosartan
Target: Type-1 angiotensin II receptor (GPCR)
Gene: AGTR1
UniProt: P30556 (AGTR1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.49
Action type: ANTAGONIST
Assay: Compound was tested for inhibition against Angiotensin II receptor, type 1
Drug: velnacrine
Target: Acetylcholinesterase (Enzyme)
Gene: ACHE
UniProt: P22303 (ACES_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.79
Assay: Inhibition of acetylcholinesterase (AChE) of human red blood cell (type XIII) by modified radiometric AChE assay
Drug: velnacrine
Target: Acetylcholinesterase (Enzyme)
Gene: Ache
UniProt: P21836 (ACES_MOUSE)
Organism: Mus musculus
Activity: IC50 = 6
Assay: Inhibition of Acetylcholinesterase in mouse red blood cell
Drug: velnacrine
Target: Acetylcholinesterase (Enzyme)
Gene: Ache
UniProt: P37136 (ACES_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 6.44
Assay: Inhibition of Acetylcholinesterase in rat red blood cell
Drug: velnacrine
Target: Acetylcholinesterase (Enzyme)
Gene: ache
UniProt: O42275 (ACES_ELEEL)
Organism: Electrophorus electricus
Activity: IC50 = 7.22
Assay: Inhibition of acetylcholinesterase (AChE) in electric eel (type V-S) by modified radiometric assay
Drug: velnacrine
Target: Butyrylcholinesterase (Enzyme)
Gene: BCHE
UniProt: Q9N1N9 (Q9N1N9_HORSE)
Organism: Equus caballus
Activity: IC50 = 7.27
Assay: Inhibition of (BChE) Butyrylcholinesterase of horse serum
Drug: dexibuprofen
Target: Prostaglandin G/H synthase 2 (Enzyme)
Gene: PTGS2
UniProt: P35354 (PGH2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.14
Assay: Inhibition of COX2 in LPS-stimulated and PMA-treated human U937 cells assessed as PGE2 production after 15 mins by ELISA
Drug: dexibuprofen
Target: Prostaglandin G/H synthase 1 (Enzyme)
Gene: PTGS1
UniProt: P23219 (PGH1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.01
Assay: Inhibition of COX1 in human HEL 92.1.7 cells assessed as thromboxane B2 production incubated for 30 mins before arachidonic acid addition measured after 15 mins by ELISA
Drug: dexibuprofen
Target: Aldo-keto reductase family 1 member C2 (Enzyme)
Gene: AKR1C2
UniProt: P52895 (AK1C2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.37
Assay: Inhibition of human recombinant N-terminal His6-tagged AKR1C2 expressed in Escherichia coli BL21(DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-11-oxa-3a-aza-benzo[de]anthracen-10-one as substrate after 1 hr by fluorimetric analysis
Drug: dexibuprofen
Target: Aldo-keto reductase family 1 member C3 (Enzyme)
Gene: AKR1C3
UniProt: P42330 (AK1C3_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.49
Assay: Inhibition of human recombinant N-terminal His6-tagged AKR1C3 expressed in Escherichia coli BL21(DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-11-oxa-3a-aza-benzo[de]anthracen-10-one as substrate after 1 hr by fluorimetric analysis
Drug: dexibuprofen
Target: Prostaglandin G/H synthase 1 (Enzyme)
Gene: PTGS1
UniProt: P05979 (PGH1_SHEEP)
Organism: Ovis aries
Activity: IC50 = 5.83
Assay: Inhibition of ovine COX1 by EIA
Drug: dexibuprofen
Target: Prostaglandin G/H synthase 2 (Enzyme)
Gene: PTGS2
UniProt: P79208 (PGH2_SHEEP)
Organism: Ovis aries
Activity: IC50 = 5.82
Assay: Inhibition of sheep COX2 by spectrophotometry
Drug: docosanoic acid
Target: Peroxisome proliferator-activated receptor alpha (Nuclear hormone receptor)
Gene: PPARA
UniProt: Q07869 (PPARA_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.52
Assay: Displacement of [3H]GW2331 from Homo sapiens (human) PPARalpha receptor by scintillation proximity assay
Drug: docosanoic acid
Target: Peroxisome proliferator-activated receptor gamma (Nuclear hormone receptor)
Gene: PPARG
UniProt: P37231 (PPARG_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.52
Assay: Displacement of [3H]BRL49653 from Homo sapiens (human) PPARgamma receptor by scintillation proximity assay