AIM-Harvard/TrialPanorama-filtered huggingface dataset:
Drug: lacosamide
Target: Carbonic anhydrase 14 (Enzyme)
Gene: CA14
UniProt: Q9ULX7 (CAH14_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.33
Assay: Inhibition of human recombinant CA14 by stopped flow CO2 hydrase assay
Drug: lacosamide
Target: Sodium channel protein type 2 subunit alpha (Ion channel)
Gene: Scn2a
UniProt: P04775 (SCN2A_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 4.52
Action type: BLOCKER
Drug: lacosamide
Target: Carbonic anhydrase 13 (Enzyme)
Gene: CA13
UniProt: Q8N1Q1 (CAH13_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.92
Assay: Inhibition of human recombinant CA13 by stopped flow CO2 hydrase assay
Drug: lacosamide
Target: Carbonic anhydrase 15 (Enzyme)
Gene: Ca15
UniProt: Q99N23 (CAH15_MOUSE)
Organism: Mus musculus
Activity: Ki = 6.34
Assay: Inhibition of mouse recombinant CA15 by stopped flow CO2 hydrase assay
Drug: lacosamide
Target: Sodium channel protein type 3 subunit alpha (Ion channel)
Gene: Scn3a
UniProt: P08104 (SCN3A_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 6.38
Assay: Binding affinity to rat inactivated voltage-gated Na channel 1.3 expressed in human HEK293 cells by patch-clamp technique
Drug: lacosamide
Target: Dihydropyrimidinase-related protein 2 (Enzyme)
Gene: DPYSL2
UniProt: Q16555 (DPYL2_HUMAN)
Organism: Homo sapiens
Drug: lacosamide
Target: Sodium channel protein type X alpha subunit (Ion channel)
Gene: Scn10a
UniProt: Q62968 (SCNAA_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 4.8
Assay: Binding affinity to voltage-gated Na channel 1.8 in Sprague-Dawley rat L4/L5 DRG neurons by patch-clamp technique
Drug: aceclidine
Target: Muscarinic acetylcholine receptor M1 (GPCR)
Gene: CHRM1
UniProt: P11229 (ACM1_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 5
Action type: AGONIST
Drug: aceclidine
Target: Muscarinic acetylcholine receptor M2 (GPCR)
Gene: CHRM2
UniProt: P08172 (ACM2_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 5.7
Action type: AGONIST
Drug: aceclidine
Target: Muscarinic acetylcholine receptor M3 (GPCR)
Gene: CHRM3
UniProt: P20309 (ACM3_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 5.1
Action type: AGONIST
Drug: aceclidine
Target: Muscarinic acetylcholine receptor M4 (GPCR)
Gene: CHRM4
UniProt: P08173 (ACM4_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 4.8
Action type: AGONIST
Drug: aceclidine
Target: Muscarinic acetylcholine receptor M5 (GPCR)
Gene: CHRM5
UniProt: P08912 (ACM5_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 5.1
Action type: AGONIST
Drug: aceclidine
Target: Muscarinic acetylcholine receptor M1 (GPCR)
Gene: Chrm1
UniProt: P08482 (ACM1_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 6.92
Assay: Binding affinity for muscarinic acetylcholine receptor M1 using [3H]oxotremorine-M (Oxo-M) radioligand in rat hippocampus membranes
Drug: aceclidine
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: Ki = 5.08
Assay: Binding affinity against muscarinic acetylcholine receptor from rat brain crude membrane, using [3H]-NMS (N-Methylscopolamine) as the radioligand.
Drug: euflavine
Target: Hypoxia-inducible factor 1-alpha (Transcription factor)
Gene: HIF1A
UniProt: Q16665 (HIF1A_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6
Assay: Inhibition of HIF-1 dimerization in HEK293 cells after 24 hrs by renilla luciferase reporter gene assay
Drug: euflavine
Target: ORF 73 (Unclassified)
UniProt: O40947 (O40947_HHV8)
Organism: Human herpesvirus 8
Activity: AC50 = 6.38
Assay: Active
Drug: afatinib
Target: Tyrosine-protein kinase ABL1 (Kinase)
Gene: ABL1
UniProt: P00519 (ABL1_HUMAN)
Organism: Homo sapiens
Activity: Kd = 6.64
Assay: Binding constant for ABL1(F317L)-phosphorylated kinase domain
Drug: afatinib
Target: Epidermal growth factor receptor (Kinase)
Gene: EGFR
UniProt: P00533 (EGFR_HUMAN)
Organism: Homo sapiens
Activity: Kd = 10
Action type: INHIBITOR
Assay: Binding constant for EGFR(G719C) kinase domain
Drug: afatinib
Target: Proto-oncogene tyrosine-protein kinase Src (Kinase)
Gene: SRC
UniProt: P12931 (SRC_HUMAN)
Organism: Homo sapiens
Activity: Kd = 5.55
Assay: Binding constant for SRC kinase domain
Drug: afatinib
Target: Tyrosine-protein kinase Lck (Kinase)
Gene: LCK
UniProt: P06239 (LCK_HUMAN)
Organism: Homo sapiens
Activity: Kd = 6.24
Assay: Binding constant for LCK kinase domain
Drug: afatinib
Target: Receptor-type tyrosine-protein kinase FLT3 (Kinase)
Gene: FLT3
UniProt: P36888 (FLT3_HUMAN)
Organism: Homo sapiens
Activity: Kd = 5.85
Assay: Binding constant for FLT3(D835Y) kinase domain
Drug: afatinib
Target: Receptor tyrosine-protein kinase erbB-2 (Kinase)
Gene: ERBB2
UniProt: P04626 (ERBB2_HUMAN)
Organism: Homo sapiens
Activity: Kd = 8.3
Action type: INHIBITOR
Assay: Binding constant for ERBB2 kinase domain
Drug: afatinib
Target: Phosphorylase b kinase gamma catalytic chain, liver/testis isoform (Kinase)
Gene: PHKG2
UniProt: P15735 (PHKG2_HUMAN)
Organism: Homo sapiens
Activity: Kd = 6.33
Assay: Binding constant for PHKG2 kinase domain
Drug: afatinib
Target: Tyrosine-protein kinase HCK (Kinase)
Gene: HCK
UniProt: P08631 (HCK_HUMAN)
Organism: Homo sapiens
Activity: Kd = 5.66
Assay: Binding constant for HCK kinase domain
Drug: afatinib
Target: Receptor tyrosine-protein kinase erbB-4 (Kinase)
Gene: ERBB4
UniProt: Q15303 (ERBB4_HUMAN)
Organism: Homo sapiens
Activity: Kd = 8.2
Action type: INHIBITOR
Assay: Binding constant for ERBB4 kinase domain
Drug: afatinib
Target: Mitogen-activated protein kinase 10 (Kinase)
Gene: MAPK10
UniProt: P53779 (MK10_HUMAN)
Organism: Homo sapiens
Activity: Kd = 5.7
Assay: Binding constant for JNK3 kinase domain
Drug: afatinib
Target: Hepatocyte growth factor receptor (Kinase)
Gene: MET
UniProt: P08581 (MET_HUMAN)
Organism: Homo sapiens
Activity: Kd = 5.66
Assay: Binding constant for MET kinase domain
Drug: afatinib
Target: Phosphorylase b kinase gamma catalytic chain, skeletal muscle/heart isoform (Kinase)
Gene: PHKG1
UniProt: Q16816 (PHKG1_HUMAN)
Organism: Homo sapiens
Activity: Kd = 5.89
Assay: Binding constant for PHKG1 kinase domain
Drug: afatinib
Target: Serine/threonine-protein kinase 10 (Kinase)
Gene: STK10
UniProt: O94804 (STK10_HUMAN)
Organism: Homo sapiens
Activity: Kd = 5.37
Assay: Binding constant for LOK kinase domain
Drug: afatinib
Target: Serine/threonine-protein kinase 17A (Kinase)
Gene: STK17A
UniProt: Q9UEE5 (ST17A_HUMAN)
Organism: Homo sapiens
Activity: Kd = 5.64
Assay: Binding constant for DRAK1 kinase domain
Drug: afatinib
Target: Ephrin type-A receptor 6 (Kinase)
Gene: EPHA6
UniProt: Q9UF33 (EPHA6_HUMAN)
Organism: Homo sapiens
Activity: Kd = 6.47
Assay: Binding constant for EPHA6 kinase domain
Drug: afatinib
Target: Casein kinase I isoform epsilon (Kinase)
Gene: CSNK1E
UniProt: P49674 (KC1E_HUMAN)
Organism: Homo sapiens
Activity: Kd = 5.89
Assay: Binding constant for CSNK1E kinase domain
Drug: afatinib
Target: Mitogen-activated protein kinase 14 (Kinase)
Gene: MAPK14
UniProt: Q16539 (MK14_HUMAN)
Organism: Homo sapiens
Activity: Kd = 5.89
Assay: Binding constant for p38-alpha kinase domain
Drug: afatinib
Target: Tyrosine-protein kinase FRK (Kinase)
Gene: FRK
UniProt: P42685 (FRK_HUMAN)
Organism: Homo sapiens
Activity: Kd = 5.85
Assay: Binding constant for FRK kinase domain
Drug: afatinib
Target: Cyclin-G-associated kinase (Kinase)
Gene: GAK
UniProt: O14976 (GAK_HUMAN)
Organism: Homo sapiens
Activity: Kd = 7.1
Assay: Binding constant for GAK kinase domain
Drug: afatinib
Target: Receptor-interacting serine/threonine-protein kinase 2 (Kinase)
Gene: RIPK2
UniProt: O43353 (RIPK2_HUMAN)
Organism: Homo sapiens
Activity: Kd = 5.57
Assay: Binding constant for RIPK2 kinase domain
Drug: afatinib
Target: STE20-like serine/threonine-protein kinase (Kinase)
Gene: SLK
UniProt: Q9H2G2 (SLK_HUMAN)
Organism: Homo sapiens
Activity: Kd = 5.43
Assay: Binding constant for SLK kinase domain
Drug: afatinib
Target: MAP kinase-interacting serine/threonine-protein kinase 2 (Kinase)
Gene: MKNK2
UniProt: Q9HBH9 (MKNK2_HUMAN)
Organism: Homo sapiens
Activity: Kd = 5.8
Assay: Binding constant for MKNK2 kinase domain
Drug: afatinib
Target: Mitogen-activated protein kinase 9 (Kinase)
Gene: MAPK9
UniProt: P45984 (MK09_HUMAN)
Organism: Homo sapiens
Activity: Kd = 5.68
Assay: Binding constant for JNK2 kinase domain
Drug: afatinib
Target: Tyrosine-protein kinase receptor UFO (Kinase)
Gene: AXL
UniProt: P30530 (UFO_HUMAN)
Organism: Homo sapiens
Activity: Kd = 5.28
Assay: Binding constant for AXL kinase domain
Drug: afatinib
Target: Ribosomal protein S6 kinase alpha-6 (Kinase)
Gene: RPS6KA6
UniProt: Q9UK32 (KS6A6_HUMAN)
Organism: Homo sapiens
Activity: Kd = 5.51
Assay: Binding constant for RSK4(Kin.Dom.2-C-terminal) kinase domain
Drug: afatinib
Target: Tyrosine-protein kinase TXK (Kinase)
Gene: TXK
UniProt: P42681 (TXK_HUMAN)
Organism: Homo sapiens
Activity: Kd = 5.51
Assay: Binding constant for TXK kinase domain
Drug: afatinib
Target: Dual specificity tyrosine-phosphorylation-regulated kinase 1B (Kinase)
Gene: DYRK1B
UniProt: Q9Y463 (DYR1B_HUMAN)
Organism: Homo sapiens
Activity: Kd = 5.55
Assay: Binding constant for DYRK1B kinase domain
Drug: afatinib
Target: MAP kinase-interacting serine/threonine-protein kinase 1 (Kinase)
Gene: MKNK1
UniProt: Q9BUB5 (MKNK1_HUMAN)
Organism: Homo sapiens
Activity: Kd = 5.74
Assay: Binding constant for MKNK1 kinase domain
Drug: afatinib
Target: Tyrosine-protein kinase Blk (Kinase)
Gene: BLK
UniProt: P51451 (BLK_HUMAN)
Organism: Homo sapiens
Activity: Kd = 6.66
Assay: Binding constant for BLK kinase domain
Drug: afatinib
Target: Citron Rho-interacting kinase (Kinase)
Gene: CIT
UniProt: O14578 (CTRO_HUMAN)
Organism: Homo sapiens
Activity: Kd = 5.54
Assay: Binding constant for CIT kinase domain
Drug: afatinib
Target: Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Kinase)
Gene: DYRK1A
UniProt: Q13627 (DYR1A_HUMAN)
Organism: Homo sapiens
Activity: Kd = 6.01
Assay: Binding constant for DYRK1A kinase domain
Drug: afatinib
Target: Dual specificity tyrosine-phosphorylation-regulated kinase 2 (Kinase)
Gene: DYRK2
UniProt: Q92630 (DYRK2_HUMAN)
Organism: Homo sapiens
Activity: Kd = 5.74
Assay: Binding constant for DYRK2 kinase domain
Drug: afatinib
Target: Ephrin type-B receptor 6 (Kinase)
Gene: EPHB6
UniProt: O15197 (EPHB6_HUMAN)
Organism: Homo sapiens
Activity: Kd = 5.51
Assay: Binding constant for EPHB6 kinase domain
Drug: afatinib
Target: Homeodomain-interacting protein kinase 4 (Kinase)
Gene: HIPK4
UniProt: Q8NE63 (HIPK4_HUMAN)
Organism: Homo sapiens
Activity: Kd = 6.44
Assay: Binding constant for HIPK4 kinase domain
Drug: afatinib
Target: Interleukin-1 receptor-associated kinase 1 (Kinase)
Gene: IRAK1
UniProt: P51617 (IRAK1_HUMAN)
Organism: Homo sapiens
Activity: Kd = 6.62
Assay: Binding constant for IRAK1 kinase domain
Drug: afatinib
Target: Receptor tyrosine-protein kinase erbB-3 (Kinase)
Gene: ERBB3
UniProt: P21860 (ERBB3_HUMAN)
Organism: Homo sapiens
Activity: Kd = 5.35
Assay: Binding constant for ERBB3 kinase domain
Drug: afatinib
Target: Serine/threonine-protein kinase SBK1 (Kinase)
Gene: SBK1
UniProt: Q52WX2 (SBK1_HUMAN)
Organism: Homo sapiens
Activity: Kd = 5.32
Assay: Binding constant for SBK1 kinase domain
Drug: afatinib
Target: Dual specificity mitogen-activated protein kinase kinase 5 (Kinase)
Gene: MAP2K5
UniProt: Q13163 (MP2K5_HUMAN)
Organism: Homo sapiens
Activity: Kd = 5.89
Assay: Binding constant for MEK5 kinase domain
Drug: azilsartan medoxomil
Target: Type-1 angiotensin II receptor (GPCR)
Gene: AGTR1
UniProt: P30556 (AGTR1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8.13
Action type: ANTAGONIST
Drug: azilsartan medoxomil
Target: Type-1 angiotensin II receptor (GPCR)
Gene: AGTR1
UniProt: P25104 (AGTR1_BOVIN)
Organism: Bos taurus
Activity: IC50 = 6.38
Drug: laropiprant
Target: Prostaglandin E2 receptor EP1 subtype (GPCR)
Gene: PTGER1
UniProt: P34995 (PE2R1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.94
Assay: Binding affinity to human EP1 receptor expressed in HEK293 cells
Drug: laropiprant
Target: Prostaglandin D2 receptor 2 (GPCR)
Gene: PTGDR2
UniProt: Q9Y5Y4 (PD2R2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.13
Assay: Activity at CRTH2 receptor
Drug: laropiprant
Target: Prostaglandin E2 receptor EP3 subtype (GPCR)
Gene: PTGER3
UniProt: P43115 (PE2R3_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.05
Assay: Binding affinity to human EP3 receptor expressed in HEK293 cells
Drug: laropiprant
Target: Prostacyclin receptor (GPCR)
Gene: PTGIR
UniProt: P43119 (PI2R_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.18
Assay: Binding affinity to human IP receptor expressed in HEK293 cells
Drug: laropiprant
Target: Thromboxane A2 receptor (GPCR)
Gene: TBXA2R
UniProt: P21731 (TA2R_HUMAN)
Organism: Homo sapiens
Activity: Ki = 8.53
Assay: Binding affinity to human TP receptor expressed in HEK293 cells
Drug: laropiprant
Target: Prostaglandin E2 receptor EP2 subtype (GPCR)
Gene: PTGER2
UniProt: P43116 (PE2R2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.87
Assay: Binding affinity to human EP2 receptor expressed in HEK293 cells
Drug: laropiprant
Target: Prostaglandin F2-alpha receptor (GPCR)
Gene: PTGFR
UniProt: P43088 (PF2R_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5
Assay: Binding affinity to human FP receptor expressed in HEK293 cells
Drug: laropiprant
Target: Prostaglandin D2 receptor (GPCR)
Gene: PTGDR
UniProt: Q13258 (PD2R_HUMAN)
Organism: Homo sapiens
Activity: Kd = 10.52
Action type: ANTAGONIST
Assay: Binding affinity to human DP receptor expressed in HEK293 cells
Drug: pasireotide
Target: Somatostatin receptor type 2 (GPCR)
Gene: SSTR2
UniProt: P30874 (SSR2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 9
Action type: AGONIST
Drug: pasireotide
Target: Somatostatin receptor type 3 (GPCR)
Gene: SSTR3
UniProt: P32745 (SSR3_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8.8
Action type: AGONIST
Drug: pasireotide
Target: Somatostatin receptor type 5 (GPCR)
Gene: SSTR5
UniProt: P35346 (SSR5_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 9.8
Action type: AGONIST
Drug: pasireotide
Target: Somatostatin receptor type 1 (GPCR)
Gene: SSTR1
UniProt: P30872 (SSR1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8
Action type: AGONIST
Drug: pasireotide
Target: Somatostatin receptor type 2 (GPCR)
Gene: Sstr2
UniProt: P30680 (SSR2_RAT)
Organism: Rattus norvegicus
Activity: EC50 = 9.07
Action type: AGONIST
Drug: bazedoxifene
Target: Estrogen receptor (Nuclear hormone receptor)
Gene: ESR1
UniProt: P03372 (ESR1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 9.22
Action type: MODULATOR
Assay: Inhibition of binding to recombinant human ERalpha by scintillation proximity assay
Drug: bazedoxifene
Target: Estrogen receptor beta (Nuclear hormone receptor)
Gene: ESR2
UniProt: Q92731 (ESR2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8.42
Action type: MODULATOR
Assay: Inhibition of binding to recombinant human ERbeta by scintillation proximity assay
Drug: amifampridine
Target: Voltage-gated potassium channel (Ion channel)
Gene: KCNQ3|KCNQ2|KCNH1|KCNA2|KCNA6|KCNA3|KCNA4|KCNA5|KCNC1|KCNQ1|KCNQ4|KCNC4|KCNA1|KCNH2|KCNC3|KCNB1|KCNA10|KCNV1|KCNH5|KCNG3|KCNG4|KCNV2|KCNB2|KCNS1|KCNH8|KCNC2|KCNA7|KCNS3|KCNH6|KCNF1|KCNQ5|KCNH7|KCND1|KCND2|KCNG1|KCNG2|KCND3|KCNH3|KCNS2|KCNH4
UniProt: O43525|O43526|O95259|P16389|P17658|P22001|P22459|P22460|P48547|P51787|P56696|Q03721|Q09470|Q12809|Q14003|Q14721|Q16322|Q6PIU1|Q8NCM2|Q8TAE7|Q8TDN1|Q8TDN2|Q92953|Q96KK3|Q96L42|Q96PR1|Q96RP8|Q9BQ31|Q9H252|Q9H3M0|Q9NR82|Q9NS40|Q9NSA2|Q9NZV8|Q9UIX4|Q9UJ96|Q9UK17|Q9ULD8|Q9ULS6|Q9UQ05 (KCNQ3_HUMAN|KCNQ2_HUMAN|KCNH1_HUMAN|KCNA2_HUMAN|KCNA6_HUMAN|KCNA3_HUMAN|KCNA4_HUMAN|KCNA5_HUMAN|KCNC1_HUMAN|KCNQ1_HUMAN|KCNQ4_HUMAN|KCNC4_HUMAN|KCNA1_HUMAN|KCNH2_HUMAN|KCNC3_HUMAN|KCNB1_HUMAN|KCA10_HUMAN|KCNV1_HUMAN|KCNH5_HUMAN|KCNG3_HUMAN|KCNG4_HUMAN|KCNV2_HUMAN|KCNB2_HUMAN|KCNS1_HUMAN|KCNH8_HUMAN|KCNC2_HUMAN|KCNA7_HUMAN|KCNS3_HUMAN|KCNH6_HUMAN|KCNF1_HUMAN|KCNQ5_HUMAN|KCNH7_HUMAN|KCND1_HUMAN|KCND2_HUMAN|KCNG1_HUMAN|KCNG2_HUMAN|KCND3_HUMAN|KCNH3_HUMAN|KCNS2_HUMAN|KCNH4_HUMAN)
Organism: Homo sapiens
Action type: BLOCKER
Assay: Mechanism of Action
Drug: ambrisentan
Target: Endothelin B receptor (GPCR)
Gene: EDNRB
UniProt: P24530 (EDNRB_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.98
Action type: ANTAGONIST
Drug: ambrisentan
Target: Endothelin-1 receptor (GPCR)
Gene: EDNRA
UniProt: P25101 (EDNRA_HUMAN)
Organism: Homo sapiens
Activity: Ki = 9.65
Action type: ANTAGONIST
Drug: alogliptin
Target: Dipeptidyl peptidase 4 (Enzyme)
Gene: DPP4
UniProt: P27487 (DPP4_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 9
Action type: INHIBITOR
Assay: Inhibition of DPP4 in human plasma assessed as formation of 7-amino-4-methylcoumarin from glycyl-L-proline 4-methylcoumaryl-7-amide by fluorescence assay
Drug: zucapsaicin
Target: Transient receptor potential cation channel subfamily V member 1 (Ion channel)
Gene: TRPV1
UniProt: Q8NER1 (TRPV1_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 7.71
Action type: OPENER
Assay: increases in intracellular (HEK-293 cells) Ca2+ using Fluo-3 dye
Drug: zinc chloride
Target: Sodium-dependent noradrenaline transporter (Transporter)
Gene: SLC6A2
UniProt: P23975 (SC6A2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.158
Assay: DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)
Drug: zinc chloride
Target: Carbonic anhydrase 2 (Enzyme)
Gene: CA2
UniProt: P00918 (CAH2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.936
Assay: DRUGMATRIX: Carbonic Anhydrase II enzyme inhibition (substrate: 4-Nitrophenyl acetate (4-NPA))
Drug: zinc chloride
Target: Epidermal growth factor receptor (Kinase)
Gene: EGFR
UniProt: P00533 (EGFR_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.66
Assay: DRUGMATRIX: Protein Tyrosine Kinase, EGF Receptor enzyme inhibition (substrate: Poly(Glu:Tyr))
Drug: zinc chloride
Target: Tyrosine-protein kinase Fyn (Kinase)
Gene: FYN
UniProt: P06241 (FYN_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.726
Assay: DRUGMATRIX: Protein Tyrosine Kinase, Fyn enzyme inhibition (substrate: Poly(Glu:Tyr))
Drug: zinc chloride
Target: Androgen receptor (Transcription factor)
Gene: Ar
UniProt: P15207 (ANDR_RAT)
Organism: Rattus norvegicus
Activity: Ki = 5.363
Assay: DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Mibolerone)
Drug: zinc chloride
Target: Serine/threonine-protein phosphatase 2B catalytic subunit alpha isoform (Enzyme)
Gene: PPP3CA
UniProt: Q08209 (PP2BA_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.958
Assay: DRUGMATRIX: Protein Serine/Threonine Phosphatase, PPP3CA (Calcineurin, PP2B) enzyme inhibition (substrate: DiFMUP)
Drug: zinc chloride
Target: G-protein coupled receptor 39 (GPCR)
Gene: GPR39
UniProt: O43194 (GPR39_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 8.44
Drug: zinc chloride
Target: G protein-coupled receptor 39-1b (GPCR)
Gene: Gpr39
UniProt: A6QR73 (A6QR73_RAT)
Organism: Rattus norvegicus
Activity: EC50 = 5.39
Drug: zinc chloride
Target: Ubiquitin-conjugating enzyme E2 T (Unclassified)
Gene: UBE2T
UniProt: Q9NPD8 (UBE2T_HUMAN)
Organism: Homo sapiens
Activity: Kd = 4.8
Assay: Binding affinity to N-terminally 6xHis-Smt3 tagged human Ube2T C86K/K91R/K95R mutant expressed in Escherichia coli by ITC method
Drug: benzathine benzylpenicillin
Target: Beta-lactamase TEM (Enzyme)
Gene: bla; blaT-3; blaT-4;
UniProt: P62593 (BLAT_ECOLX)
Organism: Escherichia coli
Activity: Ki = 4.7
Assay: Inhibition constant (Ki) for TEM-1 beta-lactamase
Drug: benzathine benzylpenicillin
Target: Bacterial penicillin-binding protein (Enzyme)
Gene: mrcA|mrcB|dacC|mrdA|ftsI|dacA|dacB
UniProt: P02918|P02919|P08506|P0AD65|P0AD68|P0AEB2|P24228 (PBPA_ECOLI|PBPB_ECOLI|DACC_ECOLI|PBP2_ECOLI|FTSI_ECOLI|DACA_ECOLI|DACB_ECOLI)
Organism: Escherichia coli (strain K12)
Action type: INHIBITOR
Assay: Mechanism of Action; CHEMBL2354204; PROTEIN FAMILY
Drug: aurothioglucose
Target: 5-hydroxytryptamine receptor 3A (Ion channel)
Gene: HTR3A
UniProt: P46098 (5HT3A_HUMAN)
Organism: Homo sapiens
Activity: Ki = 10.5
Drug: aurothioglucose
Target: Thioredoxin reductase 1, cytoplasmic (Enzyme)
Gene: TXNRD1
UniProt: Q16881 (TRXR1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 8.398
Drug: aurothioglucose
Target: 5-hydroxytryptamine receptor 3B (Ion channel)
Gene: HTR3B
UniProt: O95264 (5HT3B_HUMAN)
Organism: Homo sapiens
Activity: Kd = 9.85
Assay: Binding affinity to human 5-HT3B receptor H73A mutant after 24 hrs by liquid scintillation counting analysis
Drug: aurothioglucose
Target: Sulfide:quinone oxidoreductase, mitochondrial (Unclassified)
Gene: SQRDL
UniProt: Q9Y6N5 (SQRD_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.03
Assay: Inhibition of SQOR (unknown origin) using sodium sulfide, sodium sulfite and coenzyme Q1 by UV absorbance method
Drug: bilastine
Target: Histamine H1 receptor (GPCR)
Gene: HRH1
UniProt: P35367 (HRH1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.194
Action type: ANTAGONIST
Assay: inhibition of [3H]-pyrilamine binding to human recombinant histamine H1-receptors
Drug: anidulafungin
Target: Beta-1,3-glucan synthase catalytic subunit 1 (Enzyme)
Gene: GSC1
UniProt: O13428 (O13428_CANAX)
Organism: Candida albicans
Activity: IC50 = 7.75
Action type: INHIBITOR
Assay: In vitro inhibitory activity against Beta glucan synthase
Drug: arginine glutamate
Target: Nitric oxide synthase, inducible (Enzyme)
Gene: NOS2
UniProt: P35228 (NOS2_HUMAN)
Organism: Homo sapiens
Activity: Kd = 5.15
Assay: Binding affinity to truncated iNOS construct (1-490) by spectral assay
Drug: bosutinib
Target: Tyrosine-protein kinase JAK3 (Kinase)
Gene: JAK3
UniProt: P52333 (JAK3_HUMAN)
Organism: Homo sapiens
Activity: Kd = 5.92
Assay: Binding constant for JAK3(JH1domain-catalytic) kinase domain
Drug: bosutinib
Target: Macrophage-stimulating protein receptor (Kinase)
Gene: MST1R
UniProt: Q04912 (RON_HUMAN)
Organism: Homo sapiens
Activity: Kd = 5.2
Assay: Binding constant for MST1R kinase domain
Drug: bosutinib
Target: Platelet-derived growth factor receptor beta (Kinase)
Gene: PDGFRB
UniProt: P09619 (PGFRB_HUMAN)
Organism: Homo sapiens
Activity: Kd = 6.7
Assay: Binding constant for PDGFRB kinase domain
Drug: bosutinib
Target: Tyrosine-protein kinase ABL1 (Kinase)
Gene: ABL1
UniProt: P00519 (ABL1_HUMAN)
Organism: Homo sapiens
Activity: Kd = 10.54
Action type: INHIBITOR
Assay: Binding constant for ABL1(F317L)-phosphorylated kinase domain
Drug: bosutinib
Target: Mast/stem cell growth factor receptor Kit (Kinase)
Gene: KIT
UniProt: P10721 (KIT_HUMAN)
Organism: Homo sapiens
Activity: Kd = 7.14
Assay: Binding constant for KIT(D816V) kinase domain
Drug: bosutinib
Target: Epidermal growth factor receptor (Kinase)
Gene: EGFR
UniProt: P00533 (EGFR_HUMAN)
Organism: Homo sapiens
Activity: Kd = 7.74
Assay: Binding constant for EGFR(E746-A750del) kinase domain
Drug: bosutinib
Target: Proto-oncogene tyrosine-protein kinase Src (Kinase)
Gene: SRC
UniProt: P12931 (SRC_HUMAN)
Organism: Homo sapiens
Activity: Kd = 9
Action type: INHIBITOR
Assay: Binding constant for SRC kinase domain
Drug: bosutinib
Target: Tyrosine-protein kinase Lck (Kinase)
Gene: LCK
UniProt: P06239 (LCK_HUMAN)
Organism: Homo sapiens
Activity: Kd = 9.23
Assay: Binding constant for LCK kinase domain
Drug: bosutinib
Target: Tyrosine-protein kinase Yes (Kinase)
Gene: YES1
UniProt: P07947 (YES_HUMAN)
Organism: Homo sapiens
Activity: Kd = 8.4
Assay: Binding constant for YES kinase domain
Drug: bosutinib
Target: Tyrosine-protein kinase Fyn (Kinase)
Gene: FYN
UniProt: P06241 (FYN_HUMAN)
Organism: Homo sapiens
Activity: Kd = 7.96
Assay: Binding constant for FYN kinase domain
Drug: bosutinib
Target: Ephrin type-A receptor 2 (Kinase)
Gene: EPHA2
UniProt: P29317 (EPHA2_HUMAN)
Organism: Homo sapiens
Activity: Kd = 7.74
Assay: Binding constant for EPHA2 kinase domain
Drug: bosutinib
Target: Receptor-type tyrosine-protein kinase FLT3 (Kinase)
Gene: FLT3
UniProt: P36888 (FLT3_HUMAN)
Organism: Homo sapiens
Activity: Kd = 6
Assay: Binding constant for FLT3(D835H) kinase domain
Drug: bosutinib
Target: Proto-oncogene tyrosine-protein kinase receptor Ret (Kinase)
Gene: RET
UniProt: P07949 (RET_HUMAN)
Organism: Homo sapiens
Activity: Kd = 5.42
Assay: Binding constant for RET(M918T) kinase domain
Drug: bosutinib
Target: Macrophage colony-stimulating factor 1 receptor (Kinase)
Gene: CSF1R
UniProt: P07333 (CSF1R_HUMAN)
Organism: Homo sapiens
Activity: Kd = 6.42
Assay: Binding constant for CSF1R kinase domain