AIM-Harvard/TrialPanorama-filtered huggingface dataset:
Drug: acyclovir
Target: Thymidine kinase (Kinase)
Gene: TK
UniProt: P04407 (KITH_HHV23)
Organism: Human herpesvirus 2 (strain 333)
Action type: INHIBITOR
Drug: adapalene
Target: Glycine receptor subunit alpha-1 (Ion channel)
Gene: GLRA1
UniProt: P23415 (GLRA1_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 5.89
Drug: adapalene
Target: Retinoic acid receptor alpha (Nuclear hormone receptor)
Gene: RARA
UniProt: P10276 (RARA_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.96
Assay: Binding affinity towards Retinoic acid receptor alpha
Drug: adapalene
Target: Retinoic acid receptor beta (Nuclear hormone receptor)
Gene: RARB
UniProt: P10826 (RARB_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.47
Action type: AGONIST
Assay: Binding affinity towards Retinoic acid receptor beta
Drug: adapalene
Target: Retinoic acid receptor gamma (Nuclear hormone receptor)
Gene: RARG
UniProt: P13631 (RARG_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.89
Action type: AGONIST
Assay: Binding affinity towards Retinoic acid receptor gamma
Drug: adefovir dipivoxil
Target: Protein P (Polyprotein)
Gene: P
UniProt: Q9IF40 (Q9IF40_HBV)
Organism: Hepatitis B virus
Action type: INHIBITOR
Assay: Mechanism of Action; CHEMBL2362994; SINGLE PROTEIN
Drug: adefovir dipivoxil
Target: DNA polymerase subunit gamma-1 (Enzyme)
Gene: POLG
UniProt: P54098 (DPOG1_HUMAN)
Organism: Homo sapiens
Drug: adefovir dipivoxil
Target: Capsid protein (Unclassified)
Gene: HBcAg
UniProt: Q03732 (Q03732_HBV)
Organism: Hepatitis B virus
Activity: EC50 = 7.08
Assay: Inhibition of hepatitis B virus capsid assembly infected in human HepG2.215 cells assessed as reduction in viral DNA replication measured on day 7 by real time PCR analysis
Drug: adenine
Target: Xanthine dehydrogenase/oxidase (Enzyme)
Gene: XDH
UniProt: P47989 (XDH_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.96
Assay: Inhibition of human xanthine oxidase
Drug: adenine
Target: Phosphatidylinositol 4-kinase, PI4K (Kinase)
Gene: PI4KA|PI4K2B|PI4K2A|PI4KB
UniProt: P42356|Q8TCG2|Q9BTU6|Q9UBF8 (PI4KA_HUMAN|P4K2B_HUMAN|P4K2A_HUMAN|PI4KB_HUMAN)
Organism: Homo sapiens
Activity: Ki = 4.07
Assay: Binding affinity (Ki) against human phosphatidylinositol 4-kinase
Drug: adenosine
Target: Adenosine receptor A2a (GPCR)
Gene: ADORA2A
UniProt: P29274 (AA2AR_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 6.155
Action type: AGONIST
Drug: adenosine
Target: Adenosine receptor A1 (GPCR)
Gene: ADORA1
UniProt: P30542 (AA1R_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 6.509
Action type: AGONIST
Drug: adenosine
Target: Adenosine receptor A2b (GPCR)
Gene: ADORA2B
UniProt: P29275 (AA2BR_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 4.62
Action type: AGONIST
Drug: adenosine
Target: Adenosine receptor A3 (GPCR)
Gene: ADORA3
UniProt: P0DMS8 (AA3R_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.54
Action type: AGONIST
Drug: adenosine
Target: Adenosine kinase (Kinase)
Gene: ADK
UniProt: P55263 (ADK_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6
Drug: adenosine
Target: Adenosine deaminase (Enzyme)
Gene: ADA
UniProt: P00813 (ADA_HUMAN)
Organism: Homo sapiens
Activity: Kd = 4.602
Drug: adenosine
Target: Adenosine receptor A1 (GPCR)
Gene: Adora1
UniProt: P25099 (AA1R_RAT)
Organism: Rattus norvegicus
Activity: Ki = 8.29
Assay: Inhibition of [3H]-CHA binding to rat brain membrane Adenosine A1 receptor
Drug: adenosine
Target: Adenosine receptor A2a (GPCR)
Gene: Adora2a
UniProt: P30543 (AA2AR_RAT)
Organism: Rattus norvegicus
Activity: Ki = 7.52
Assay: Displacement of specific [3H]-CGS- 21680 binding to adenosine A2A receptor in rat striatal membranes
Drug: adenosine
Target: Adenosine receptor A3 (GPCR)
Gene: Adora3
UniProt: P28647 (AA3R_RAT)
Organism: Rattus norvegicus
Activity: Ki = 7
Assay: Displacement of [125I]- AB-MECA from rat adenosine A3 receptor expressed in CHO cells
Drug: adenosine
Target: Adenosine kinase (Kinase)
Gene: AK
UniProt: Q9TVW2 (ADK_TOXGO)
Organism: Toxoplasma gondii
Activity: Ki = 5.05
Assay: Binding affinity to purified Toxoplasma gondii adenosine kinase
Drug: adenosine
Target: Mitogen-activated protein kinase kinase kinase 7 (Kinase)
Gene: MAP3K7
UniProt: O43318 (M3K7_HUMAN)
Organism: Homo sapiens
Activity: Kd = 5.36
Assay: Binding affinity to recombinant human biotinylated N-terminal GST-tagged autophosphorylated TAK1 (1 to 303 residues) fused with TAB1 (437 to 504 residues) expressed in baculovirus infected sf9 cells by SPR assay
Drug: adenosine
Target: Adenosylhomocysteinase (Enzyme)
Gene: AHCY
UniProt: P23526 (SAHH_HUMAN)
Organism: Homo sapiens
Activity: Km = 5.796
Drug: adenosine
Target: Adenosine A2 receptor (GPCR)
Gene: Adora2b|Adora2a
UniProt: P29276|P30543 (AA2BR_RAT|AA2AR_RAT)
Organism: Rattus norvegicus
Activity: Ki = 8.3
Assay: Binding affinity for Adenosine A2 receptor in corpora striata of rats using [3H]NECA
Drug: adenosine
Target: Phosphatidylinositol 4-kinase type 2-alpha (Kinase)
Gene: PI4K2A
UniProt: Q9BTU6 (P4K2A_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5
Action type: INHIBITOR
Drug: adenosine
Target: Phosphatidylinositol 4-kinase type 2-beta (Kinase)
Gene: PI4K2B
UniProt: Q8TCG2 (P4K2B_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5
Action type: INHIBITOR
Drug: adenosine
Target: Glyceraldehyde-3-phosphate dehydrogenase liver (Enzyme)
Gene: GAPDH
UniProt: P04406 (G3P_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.46
Assay: Tested for the inhibitory activity against Glycosomal glyceraldehyde 3-phosphate dehydrogenase (gGAPDH) of human erythrocyte
Drug: adenosine
Target: cAMP-dependent protein kinase A (Kinase)
Gene: PRKAR2A|PRKACA|PRKACB|PRKAR2B
UniProt: P00515|P00517|P05131|P31322 (KAP2_BOVIN|KAPCA_BOVIN|KAPCB_BOVIN|KAP3_BOVIN)
Organism: Bos taurus
Activity: Ki = 4.82
Assay: Inhibitory constant for Protein Kinase A
Drug: adenosine
Target: Histone-lysine N-methyltransferase, H3 lysine-79 specific (Enzyme)
Gene: DOT1L
UniProt: Q8TEK3 (DOT1L_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4
Assay: Inhibition of DOT1L (2 to 416 residues) (unknown origin) using biotinylated nucleosomes as substrate preincubated for 30 mins followed by substrate addition in presence of [3H-Me]SAM by scintillation proximity assay
Drug: adenosine triphosphate
Target: P2Y purinoceptor 1 (GPCR)
Gene: P2RY1
UniProt: P49652 (P2RY1_MELGA)
Organism: Meleagris gallopavo
Activity: EC50 = 5.55
Assay: Activation of Purinoceptor P2Y1-mediated phospholipase C in turkey erythrocyte membranes
Drug: adenosine triphosphate
Target: P2X purinoceptor 1 (Ion channel)
Gene: P2RX1
UniProt: P51575 (P2RX1_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 7.25
Action type: AGONIST
Drug: adenosine triphosphate
Target: P2Y purinoceptor 4 (GPCR)
Gene: P2RY4
UniProt: P51582 (P2RY4_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.2
Assay: GRAC: human P2Y4 selective antagonist
Drug: adenosine triphosphate
Target: Tyrosine-protein kinase JAK2 (Kinase)
Gene: JAK2
UniProt: O60674 (JAK2_HUMAN)
Organism: Homo sapiens
Activity: Kd = 5.89
Assay: Binding affinity to wild type 6XHis-tagged human JAK2 JH2 domain (513 to 827 residues) expressed in baculovirus infected Sf9 cells by MANT-ATP binding assay
Drug: adenosine triphosphate
Target: P2Y purinoceptor 1 (GPCR)
Gene: P2RY1
UniProt: P47900 (P2RY1_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 6.07
Assay: Agonist activity at human GFP-tagged P2Y1R transfected in human 1321N1 cells assessed as induction of intracellular calcium mobilization by fluorescence assay
Drug: adenosine triphosphate
Target: P2Y purinoceptor 2 (GPCR)
Gene: P2RY2
UniProt: P41231 (P2RY2_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 7.1
Action type: AGONIST
Drug: adenosine triphosphate
Target: P2Y purinoceptor 11 (GPCR)
Gene: P2RY11
UniProt: Q96G91 (P2Y11_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 5.17
Assay: Agonist activity at human GFP-tagged P2Y11R transfected in human 1321N1 cells assessed as induction of intracellular calcium mobilization by fluorescence assay
Drug: adenosine triphosphate
Target: Transient receptor potential cation channel subfamily M member 4 (Ion channel)
Gene: TRPM4
UniProt: Q8TD43 (TRPM4_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.8
Action type: BLOCKER
Drug: adenosine triphosphate
Target: P2Y purinoceptor 13 (GPCR)
Gene: P2RY13
UniProt: Q9BPV8 (P2Y13_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.4
Action type: AGONIST
Drug: adenosine triphosphate
Target: Endoplasmin (Membrane other)
Gene: HSP90B1
UniProt: P41148 (ENPL_CANFA)
Organism: Canis familiaris
Activity: IC50 = 5.49
Assay: Displacement of 5-(3-(3-(6-amino-8-(6-iodobenzo[d][1,3]dioxol-5-ylthio)-9H-purin-9-yl)propyl)thioureido)-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid from dog Grp94 after 24 hrs by fluorescence polarization assay
Drug: adenosine triphosphate
Target: MAP kinase-activated protein kinase 2 (Kinase)
Gene: MAPKAPK2
UniProt: P49137 (MAPK2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.55
Assay: Inhibition of human recombinant phospho-MK2 (36-400) by HTRF assay
Drug: adenosine triphosphate
Target: Mitogen-activated protein kinase kinase kinase 7 (Kinase)
Gene: MAP3K7
UniProt: O43318 (M3K7_HUMAN)
Organism: Homo sapiens
Activity: Kd = 5.55
Assay: Binding affinity to recombinant human biotinylated N-terminal GST-tagged autophosphorylated TAK1 (1 to 303 residues) fused with TAB1 (437 to 504 residues) expressed in baculovirus infected sf9 cells by SPR assay
Drug: adenosine triphosphate
Target: P2X purinoceptor 4 (Ion channel)
Gene: P2RX4
UniProt: Q99571 (P2RX4_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 6.3
Action type: AGONIST
Drug: adenosine triphosphate
Target: Uracil nucleotide/cysteinyl leukotriene receptor (GPCR)
Gene: GPR17
UniProt: Q13304 (GPR17_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 7.43
Action type: AGONIST
Drug: adenosine triphosphate
Target: P2X purinoceptor 3 (Ion channel)
Gene: P2RX3
UniProt: P56373 (P2RX3_HUMAN)
Organism: Homo sapiens
Activity: Ki  7.836
Drug: adenosine triphosphate
Target: Heat shock protein 75 kDa, mitochondrial (Unclassified)
Gene: TRAP1
UniProt: Q12931 (TRAP1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.5
Assay: Displacement of 5-(3-(3-(6-amino-8-(6-iodobenzo[d][1,3]dioxol-5-ylthio)-9H-purin-9-yl)propyl)thioureido)-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid from recombinant human Trap-1 after 24 hrs by fluorescence polarization assay
Drug: adenosine triphosphate
Target: Adenylate kinase 2 (Kinase)
Gene: Ak2
UniProt: P29410 (KAD2_RAT)
Organism: Rattus norvegicus
Activity: Ki = 4.05
Assay: Inhibitory activity against rat adenylate kinase II was determined in the presence of ATP, non competitive inhibition
Drug: adenosine triphosphate
Target: Heat shock cognate 71 kDa protein (Unclassified)
Gene: HSPA8
UniProt: P11142 (HSP7C_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.76
Assay: PUBCHEM_BIOASSAY: In Vitro Hsc70 Dose Response Fluorescence Polarization Assay. (Class of assay: confirmatory) [Related pubchem assays: 1072 ]
Drug: adenosine triphosphate
Target: Heat shock 70 kDa protein 1A (Unclassified)
Gene: HSPA1A
UniProt: P0DMV8 (HS71A_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.47
Drug: adenosine triphosphate
Target: Transient receptor potential cation channel subfamily M member 4 (Ion channel)
Gene: Trpm4
UniProt: Q7TN37 (TRPM4_MOUSE)
Organism: Mus musculus
Activity: IC50 = 6.1
Action type: BLOCKER
Drug: adenosine triphosphate
Target: P2X purinoceptor 2 (Unclassified)
Gene: P2rx2
UniProt: P49653 (P2RX2_RAT)
Organism: Rattus norvegicus
Activity: EC50 = 5.85
Action type: AGONIST
Drug: adenosine triphosphate
Target: P2X purinoceptor 4 (Unclassified)
Gene: P2rx4
UniProt: Q9JJX6 (P2RX4_MOUSE)
Organism: Mus musculus
Activity: EC50 = 6
Action type: AGONIST
Drug: adenosine triphosphate
Target: P2Y purinoceptor 4 (GPCR)
Gene: P2ry4
UniProt: O35811 (P2RY4_RAT)
Organism: Rattus norvegicus
Activity: EC50 = 6.3
Action type: AGONIST
Drug: adenosine triphosphate
Target: P2X purinoceptor 4 (Unclassified)
Gene: P2rx4
UniProt: P51577 (P2RX4_RAT)
Organism: Rattus norvegicus
Activity: EC50 = 5.3
Action type: AGONIST
Drug: adenosine triphosphate
Target: P2X purinoceptor 6 (Unclassified)
Gene: P2rx6
UniProt: P51579 (P2RX6_RAT)
Organism: Rattus norvegicus
Activity: EC50 = 6
Action type: AGONIST
Drug: adenosine triphosphate
Target: P2X purinoceptor 5 (Unclassified)
Gene: P2rx5
UniProt: P51578 (P2RX5_RAT)
Organism: Rattus norvegicus
Activity: EC50 = 6
Action type: AGONIST
Drug: adenosine phosphate
Target: Fructose-1,6-bisphosphatase 1 (Enzyme)
Gene: FBP1
UniProt: P09467 (F16P1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.85
Assay: Inhibition of FBPase in human liver using fructose-2,6phosphate as a substrate
Drug: adenosine phosphate
Target: Fructose-1,6-bisphosphatase 1 (Enzyme)
Gene: FBP1
UniProt: P00636 (F16P1_PIG)
Organism: Sus scrofa
Activity: IC50 = 5.89
Assay: Inhibition of pig FBPase expressed in Escherichia coli EK1601 by spectrophotometry
Drug: adenosine phosphate
Target: Proto-oncogene tyrosine-protein kinase Src (Kinase)
Gene: SRC
UniProt: P12931 (SRC_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7
Assay: Inhibition of p60c-src expressed in chick embryo fibroblast
Drug: adenosine phosphate
Target: Transient receptor potential cation channel subfamily M member 2 (Ion channel)
Gene: TRPM2
UniProt: O94759 (TRPM2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.15
Assay: Inhibition of TRPM2 (unknown origin)
Drug: adenosine phosphate
Target: Transient receptor potential cation channel subfamily M member 4 (Ion channel)
Gene: TRPM4
UniProt: Q8TD43 (TRPM4_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.7
Action type: GATING INHIBITOR
Drug: adenosine phosphate
Target: Pol polyprotein (Enzyme)
Gene: pol
UniProt: Q72874 (Q72874_9HIV1)
Organism: Human immunodeficiency virus 1
Activity: Ki = 9.64
Assay: Inhibition constant against HIV-1 Protease
Drug: adenosine phosphate
Target: Alcohol dehydrogenase (Enzyme)
UniProt: P00327|P00328 (ADH1E_HORSE|ADH1S_HORSE)
Organism: Equus caballus
Activity: Ki = 4.42
Assay: Inhibition constant was evaluated against horse liver alcohol dehydrogenase
Drug: adenosine phosphate
Target: L-lactate dehydrogenase A chain (Enzyme)
Gene: LDHA
UniProt: P00338 (LDHA_HUMAN)
Organism: Homo sapiens
Activity: Kd = 3.19
Assay: Binding affinity to 6-His-tagged human LDHA (2 to 322 amino acid residue) expressed in Escherichia coli BL21 (DE3) cells by NMR analysis in presence of NADH
Drug: adenosine phosphate
Target: Ketopantoate reductase (Enzyme)
Gene: panE
UniProt: P0A9J4 (PANE_ECOLI)
Organism: Escherichia coli (strain K12)
Activity: Ki = 2.2
Assay: Inhibition of Escherichia coli KPR
Drug: adenosine phosphate
Target: Adenylate kinase 2 (Kinase)
Gene: Ak2
UniProt: P29410 (KAD2_RAT)
Organism: Rattus norvegicus
Activity: Ki = 4.1
Assay: Inhibitory activity against rat adenylate kinase II was determined in the presence of AMP
Drug: adenosine phosphate
Target: 2'-deoxynucleoside 5'-phosphate N-hydrolase 1 (Enzyme)
Gene: DNPH1
UniProt: O43598 (DNPH1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 4.72
Drug: adenosine phosphate
Target: 2'-deoxynucleoside 5'-phosphate N-hydrolase 1 (Enzyme)
Gene: Dnph1
UniProt: O35820 (DNPH1_RAT)
Organism: Rattus norvegicus
Activity: Ki = 4.4
Drug: adinazolam
Target: Translocator protein (Transporter)
Gene: TSPO
UniProt: P30536 (TSPO_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.1
Drug: adinazolam
Target: GABA-A receptor (Ion channel)
Gene: GABRD|GABRA1|GABRB1|GABRG2|GABRB3|GABRA5|GABRA3|GABRA2|GABRB2|GABRA4|GABRA6|GABRG1|GABRG3
UniProt: O14764|P14867|P18505|P18507|P28472|P31644|P34903|P47869|P47870|P48169|Q16445|Q8N1C3|Q99928 (GBRD_HUMAN|GBRA1_HUMAN|GBRB1_HUMAN|GBRG2_HUMAN|GBRB3_HUMAN|GBRA5_HUMAN|GBRA3_HUMAN|GBRA2_HUMAN|GBRB2_HUMAN|GBRA4_HUMAN|GBRA6_HUMAN|GBRG1_HUMAN|GBRG3_HUMAN)
Organism: Homo sapiens
Action type: POSITIVE ALLOSTERIC MODULATOR
Assay: Mechanism of Action
Drug: adiphenine
Target: Histamine H1 receptor (GPCR)
Gene: Hrh1
UniProt: P31390 (HRH1_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 4.77
Assay: Displacement of [3H]mepyramine from histamine H1 receptor in Sprague-Dawley rat brain membrane after 2 hr by scintillation counting
Drug: adiphenine
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: Kd = 7.45
Assay: Affinity for the Muscarinic acetylcholine receptor
Drug: agomelatine
Target: 5-hydroxytryptamine receptor 2A (GPCR)
Gene: HTR2A
UniProt: P28223 (5HT2A_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.4
Action type: ANTAGONIST
Drug: agomelatine
Target: 5-hydroxytryptamine receptor 2B (GPCR)
Gene: HTR2B
UniProt: P41595 (5HT2B_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.6
Action type: ANTAGONIST
Drug: agomelatine
Target: Melatonin receptor (GPCR)
Gene: MTNR1A|MTNR1B
UniProt: P48039|P49286 (MTR1A_HUMAN|MTR1B_HUMAN)
Organism: Homo sapiens
Activity: Ki = 10
Assay: Binding affinity against ovine pars tuberalis melatonin receptor using 2-[125I]- melatonin radioligand binding assay
Drug: agomelatine
Target: Melatonin receptor (GPCR)
UniProt: P49285|P49288|P51050 (MTR1A_CHICK|MTR1C_CHICK|MTR1B_CHICK)
Organism: Gallus gallus
Activity: Ki = 9.28
Assay: Binding affinity is evaluated for chicken brain melatonin receptor using 2-[125I]iodomelatonin as radioligand
Drug: agomelatine
Target: 5-hydroxytryptamine receptor 2C (GPCR)
Gene: HTR2C
UniProt: P28335 (5HT2C_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.2
Action type: ANTAGONIST
Drug: agomelatine
Target: Melatonin receptor type 1A (GPCR)
Gene: MTNR1A
UniProt: P48039 (MTR1A_HUMAN)
Organism: Homo sapiens
Activity: Ki = 10.22
Action type: AGONIST
Assay: Binding affinity for human Melatonin receptor type 1A stably transfected in human embryonic kidney cells (HEK 293) using 2-[125I]iodomelatonin as radioligand
Drug: agomelatine
Target: Melatonin receptor type 1B (GPCR)
Gene: MTNR1B
UniProt: P49286 (MTR1B_HUMAN)
Organism: Homo sapiens
Activity: Ki = 10
Action type: AGONIST
Assay: Displacement of [125I]2-iodomelatonin from human recombinant MT2 receptor expressed in HEK293 cells after 2 hrs by gamma counting
Drug: ajmaline
Target: Sodium channel protein type 5 subunit alpha (Ion channel)
Gene: SCN5A
UniProt: Q14524 (SCN5A_HUMAN)
Organism: Homo sapiens
Action type: INHIBITOR
Drug: ajmaline
Target: Cytochrome P450 2D6 (Enzyme)
Gene: CYP2D6
UniProt: P10635 (CP2D6_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6
Assay: DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)
Drug: ajmaline
Target: Potassium voltage-gated channel subfamily D member 3 (Ion channel)
Gene: KCND3
UniProt: Q9UK17 (KCND3_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.58
Action type: INHIBITOR
Assay: Activity measured in mammalian cell line
Drug: ajmaline
Target: Potassium voltage-gated channel subfamily A member 5 (Ion channel)
Gene: KCNA5
UniProt: P22460 (KCNA5_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.77
Action type: INHIBITOR
Assay: Activity measured in mammalian cell line
Drug: alacepril
Target: Angiotensin-converting enzyme (Enzyme)
Gene: ACE
UniProt: P12821 (ACE_HUMAN)
Organism: Homo sapiens
Action type: INHIBITOR
Assay: Mechanism of Action
Drug: alatrofloxacin
Target: Topoisomerase IV (Enzyme)
Gene: parC|parE
UniProt: P0AFI2|P20083 (PARC_ECOLI|PARE_ECOLI)
Organism: Escherichia coli (strain K12)
Action type: INHIBITOR
Assay: Mechanism of Action; CHEMBL2363076; PROTEIN COMPLEX
Drug: alatrofloxacin
Target: DNA gyrase (Enzyme)
Gene: gyrA|gyrB
UniProt: P0AES4|P0AES6 (GYRA_ECOLI|GYRB_ECOLI)
Organism: Escherichia coli (strain K12)
Action type: INHIBITOR
Assay: Mechanism of Action; CHEMBL2311224; PROTEIN COMPLEX
Drug: albendazole
Target: Tubulin alpha chain (Structural)
UniProt: P50719 (TBA_HAECO)
Organism: Haemonchus contortus
Drug: albendazole
Target: Tubulin (Structural)
UniProt: C4PKY4|C4PKZ2|C4PKZ6 (C4PKY4_ECHGR|C4PKZ2_ECHGR|C4PKZ6_ECHGR)
Organism: Echinococcus granulosus
Action type: INHIBITOR
Assay: Mechanism of Action; CHEMBL2364704; PROTEIN COMPLEX GROUP
Drug: albendazole
Target: Tubulin (Structural)
UniProt: F1L005|F1L4P8|F1L5G6|F1L7U3|F1L7Y0|F1L8A5|F1LCS0 (F1L005_ASCSU|F1L4P8_ASCSU|F1L5G6_ASCSU|F1L7U3_ASCSU|F1L7Y0_ASCSU|F1L8A5_ASCSU|F1LCS0_ASCSU)
Organism: Ascaris suum
Action type: INHIBITOR
Assay: Mechanism of Action; CHEMBL2364705; PROTEIN COMPLEX GROUP
Drug: albendazole sulfoxide
Target: Tubulin alpha chain (Structural)
UniProt: P50719 (TBA_HAECO)
Organism: Haemonchus contortus
Drug: salbutamol
Target: Beta-1 adrenergic receptor (GPCR)
Gene: ADRB1
UniProt: P08588 (ADRB1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.613
Drug: salbutamol
Target: Beta-2 adrenergic receptor (GPCR)
Gene: ADRB2
UniProt: P07550 (ADRB2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.95
Action type: AGONIST
Drug: salbutamol
Target: Beta-2 adrenergic receptor (GPCR)
Gene: Adrb2
UniProt: Q8K4Z4 (ADRB2_CAVPO)
Organism: Cavia porcellus
Activity: Kd = 5.94
Assay: Binding affinity to adrenergic beta2 receptor in Hartley guinea pig tracheal ring
Drug: salbutamol
Target: Beta-2 adrenergic receptor (GPCR)
Gene: ADRB2
UniProt: Q28044 (ADRB2_BOVIN)
Organism: Bos taurus
Activity: Kd = 6.28
Assay: Affinity for cow beta-2 adrenergic receptor by measuring displacement (-)-[3H]dihydroalprenolol (DHA)
Drug: alclofenac
Target: Prostaglandin G/H synthase 2 (Enzyme)
Gene: PTGS2
UniProt: P35354 (PGH2_HUMAN)
Organism: Homo sapiens
Action type: INHIBITOR
Drug: alclofenac
Target: Prostaglandin G/H synthase 1 (Enzyme)
Gene: PTGS1
UniProt: P23219 (PGH1_HUMAN)
Organism: Homo sapiens
Drug: alcuronium
Target: Muscarinic acetylcholine receptor M1 (GPCR)
Gene: CHRM1
UniProt: P11229 (ACM1_HUMAN)
Organism: Homo sapiens
Activity: Kd = 5
Action type: ALLOSTERIC MODULATOR
Drug: alcuronium
Target: Muscarinic acetylcholine receptor M2 (GPCR)
Gene: CHRM2
UniProt: P08172 (ACM2_HUMAN)
Organism: Homo sapiens
Activity: Kd = 6.9
Action type: ALLOSTERIC MODULATOR
Drug: alcuronium
Target: Muscarinic acetylcholine receptor M3 (GPCR)
Gene: CHRM3
UniProt: P20309 (ACM3_HUMAN)
Organism: Homo sapiens
Activity: Kd = 5.8
Action type: ALLOSTERIC MODULATOR
Drug: alcuronium
Target: Muscarinic acetylcholine receptor M4 (GPCR)
Gene: CHRM4
UniProt: P08173 (ACM4_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.6
Drug: alcuronium
Target: Neuronal acetylcholine receptor subunit alpha-2 (Ion channel)
Gene: CHRNA2
UniProt: Q15822 (ACHA2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 4.721
Drug: alcuronium
Target: Neuronal acetylcholine receptor subunit alpha-7 (Ion channel)
Gene: CHRNA7
UniProt: P36544 (ACHA7_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.959
Drug: alcuronium
Target: Muscarinic acetylcholine receptor M2 (GPCR)
Gene: CHRM2
UniProt: P06199 (ACM2_PIG)
Organism: Sus scrofa
Activity: EC50 = 8.7
Drug: alcuronium
Target: Acetylcholine receptor (Ion channel)
Gene: CHRNA1|CHRNB1|CHRND
UniProt: P02708|P11230|Q07001 (ACHA_HUMAN|ACHB_HUMAN|ACHD_HUMAN)
Organism: Homo sapiens
Drug: alcuronium
Target: Neuronal acetylcholine receptor; alpha4/beta4 (Ion channel)
Gene: CHRNB4|CHRNA4
UniProt: P30926|P43681 (ACHB4_HUMAN|ACHA4_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.347
Drug: aldosterone
Target: Mineralocorticoid receptor (Nuclear hormone receptor)
Gene: NR3C2
UniProt: P08235 (MCR_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 8.42
Assay: Agonist activity at mineralocorticoid receptor ligand binding domain expressed in african green monkey COS7 cells co-transfected with Gal4-LBD by luciferase reporter gene assay
Drug: aldosterone
Target: Corticosteroid-binding globulin (Secreted)
Gene: SERPINA6
UniProt: P08185 (CBG_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.28
Drug: aldosterone
Target: Sex hormone-binding globulin (Secreted)
Gene: SHBG
UniProt: P04278 (SHBG_HUMAN)
Organism: Homo sapiens
Activity: Kd = 5.32
Assay: Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin
Drug: aldosterone
Target: Mineralocorticoid receptor (Transcription factor)
Gene: Nr3c2
UniProt: P22199 (MCR_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 7.37
Assay: Displacement of [3H]aldosterone from Sprague-Dawley rat MR by liquid scintillation counting
Drug: alendronic acid
Target: Farnesyl pyrophosphate synthase (Enzyme)
Gene: FDPS
UniProt: P14324 (FPPS_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.35
Action type: INHIBITOR
Assay: Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 after 10 mins