AIM-Harvard/TrialPanorama-filtered huggingface dataset:
Drug: neratinib
Target: Misshapen-like kinase 1 (Kinase)
Gene: MINK1
UniProt: Q8N4C8 (MINK1_HUMAN)
Organism: Homo sapiens
Activity: Kd = 7.54
Assay: Binding constant for MINK kinase domain
Drug: neratinib
Target: Serine/threonine-protein kinase Chk2 (Kinase)
Gene: CHEK2
UniProt: O96017 (CHK2_HUMAN)
Organism: Homo sapiens
Activity: Kd = 6.07
Assay: Binding constant for CHEK2 kinase domain
Drug: neratinib
Target: Ephrin type-B receptor 6 (Kinase)
Gene: EPHB6
UniProt: O15197 (EPHB6_HUMAN)
Organism: Homo sapiens
Activity: Kd = 5.55
Assay: Binding constant for EPHB6 kinase domain
Drug: neratinib
Target: Homeodomain-interacting protein kinase 4 (Kinase)
Gene: HIPK4
UniProt: Q8NE63 (HIPK4_HUMAN)
Organism: Homo sapiens
Activity: Kd = 5.82
Assay: Binding constant for HIPK4 kinase domain
Drug: neratinib
Target: Interleukin-1 receptor-associated kinase 1 (Kinase)
Gene: IRAK1
UniProt: P51617 (IRAK1_HUMAN)
Organism: Homo sapiens
Activity: Kd = 5.64
Assay: Binding constant for IRAK1 kinase domain
Drug: neratinib
Target: Mitogen-activated protein kinase kinase kinase 13 (Kinase)
Gene: MAP3K13
UniProt: O43283 (M3K13_HUMAN)
Organism: Homo sapiens
Activity: Kd = 6.13
Assay: Binding constant for LZK kinase domain
Drug: neratinib
Target: Mitogen-activated protein kinase kinase kinase 2 (Kinase)
Gene: MAP3K2
UniProt: Q9Y2U5 (M3K2_HUMAN)
Organism: Homo sapiens
Activity: Kd = 6.35
Assay: Binding constant for MAP3K2 kinase domain
Drug: neratinib
Target: Mitogen-activated protein kinase kinase kinase 3 (Kinase)
Gene: MAP3K3
UniProt: Q99759 (M3K3_HUMAN)
Organism: Homo sapiens
Activity: Kd = 6.89
Assay: Binding constant for MAP3K3 kinase domain
Drug: neratinib
Target: Microtubule-associated serine/threonine-protein kinase 1 (Kinase)
Gene: MAST1
UniProt: Q9Y2H9 (MAST1_HUMAN)
Organism: Homo sapiens
Activity: Kd = 5.26
Assay: Binding constant for MAST1 kinase domain
Drug: neratinib
Target: Serine/threonine-protein kinase TAO3 (Kinase)
Gene: TAOK3
UniProt: Q9H2K8 (TAOK3_HUMAN)
Organism: Homo sapiens
Activity: Kd = 5.38
Assay: Binding constant for TAOK3 kinase domain
Drug: neratinib
Target: Mitogen-activated protein kinase kinase kinase 19 (Kinase)
Gene: MAP3K19
UniProt: Q56UN5 (M3K19_HUMAN)
Organism: Homo sapiens
Activity: Kd = 7.8
Assay: Binding constant for YSK4 kinase domain
Drug: neratinib
Target: Serine/threonine-protein kinase 35 (Kinase)
Gene: STK35
UniProt: Q8TDR2 (STK35_HUMAN)
Organism: Homo sapiens
Activity: Kd = 5.35
Assay: Binding constant for STK35 kinase domain
Drug: neratinib
Target: Receptor tyrosine-protein kinase erbB-3 (Kinase)
Gene: ERBB3
UniProt: P21860 (ERBB3_HUMAN)
Organism: Homo sapiens
Activity: Kd = 8.11
Assay: Binding constant for ERBB3 kinase domain
Drug: neratinib
Target: Wee1-like protein kinase 2 (Kinase)
Gene: WEE2
UniProt: P0C1S8 (WEE2_HUMAN)
Organism: Homo sapiens
Activity: Kd = 5.89
Assay: Binding constant for WEE2 kinase domain
Drug: neratinib
Target: Serine/threonine-protein kinase Nek3 (Kinase)
Gene: NEK3
UniProt: P51956 (NEK3_HUMAN)
Organism: Homo sapiens
Activity: Kd = 5.62
Assay: Binding constant for NEK3 kinase domain
Drug: neratinib
Target: Mitogen-activated protein kinase kinase kinase 12 (Kinase)
Gene: MAP3K12
UniProt: Q12852 (M3K12_HUMAN)
Organism: Homo sapiens
Activity: Kd = 6.43
Assay: Binding constant for DLK kinase domain
Drug: neratinib
Target: Dual specificity mitogen-activated protein kinase kinase 5 (Kinase)
Gene: MAP2K5
UniProt: Q13163 (MP2K5_HUMAN)
Organism: Homo sapiens
Activity: Kd = 7.2
Assay: Binding constant for MEK5 kinase domain
Drug: neratinib
Target: Dual serine/threonine and tyrosine protein kinase (Kinase)
Gene: DSTYK
UniProt: Q6XUX3 (DUSTY_HUMAN)
Organism: Homo sapiens
Activity: Kd = 5.19
Assay: Binding constant for RIPK5 kinase domain
Drug: neratinib
Target: Serine/threonine-protein kinase 32B (Kinase)
Gene: STK32B
UniProt: Q9NY57 (ST32B_HUMAN)
Organism: Homo sapiens
Activity: Kd = 5.19
Assay: Binding constant for YANK2 kinase domain
Drug: neratinib
Target: Receptor tyrosine-protein kinase erbB-4 (Kinase)
Gene: ERBB4
UniProt: Q15303 (ERBB4_HUMAN)
Organism: Homo sapiens
Activity: Kd = 8.62
Action type: INHIBITOR
Drug: neratinib
Target: Epidermal growth factor receptor (Kinase)
Gene: EGFR
UniProt: P00533 (EGFR_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.036
Action type: INHIBITOR
Drug: neratinib
Target: Receptor tyrosine-protein kinase erbB-2 (Kinase)
Gene: ERBB2
UniProt: P04626 (ERBB2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.229
Action type: INHIBITOR
Drug: copanlisib
Target: Serine/threonine-protein kinase mTOR (Kinase)
Gene: MTOR
UniProt: P42345 (MTOR_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.35
Action type: INHIBITOR
Drug: copanlisib
Target: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Kinase)
Gene: PIK3CB
UniProt: P42338 (PK3CB_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8.432
Action type: INHIBITOR
Drug: copanlisib
Target: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Kinase)
Gene: PIK3CG
UniProt: P48736 (PK3CG_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8.194
Action type: INHIBITOR
Drug: copanlisib
Target: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Kinase)
Gene: PIK3CD
UniProt: O00329 (PK3CD_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 9.155
Action type: INHIBITOR
Drug: copanlisib
Target: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Kinase)
Gene: PIK3CA
UniProt: P42336 (PK3CA_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 9.301
Action type: INHIBITOR
Drug: butylphthalide
Target: Potassium channel subfamily K member 2 (Ion channel)
Gene: KCNK2
UniProt: O95069 (KCNK2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.222
Action type: BLOCKER
Drug: tivozanib
Target: Platelet-derived growth factor receptor alpha (Kinase)
Gene: PDGFRA
UniProt: P16234 (PGFRA_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8.65
Assay: Inhibition of recombinant PDGFRalpha (unknown origin) by cell-free assay
Drug: tivozanib
Target: Ephrin type-B receptor 2 (Kinase)
Gene: EPHB2
UniProt: P29323 (EPHB2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.76
Assay: Inhibition of recombinant EphB2 (unknown origin) by cell-free assay
Drug: tivozanib
Target: Platelet-derived growth factor receptor beta (Kinase)
Gene: PDGFRB
UniProt: P09619 (PGFRB_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8.764
Action type: INHIBITOR
Drug: tivozanib
Target: Mast/stem cell growth factor receptor Kit (Kinase)
Gene: KIT
UniProt: P10721 (KIT_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8.788
Action type: INHIBITOR
Drug: tivozanib
Target: Receptor-type tyrosine-protein kinase FLT3 (Kinase)
Gene: FLT3
UniProt: P36888 (FLT3_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.375
Action type: INHIBITOR
Drug: tivozanib
Target: Hepatocyte growth factor receptor (Kinase)
Gene: MET
UniProt: P08581 (MET_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.866
Action type: INHIBITOR
Drug: tivozanib
Target: Fibroblast growth factor receptor 1 (Kinase)
Gene: FGFR1
UniProt: P11362 (FGFR1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.524
Action type: INHIBITOR
Drug: tivozanib
Target: Vascular endothelial growth factor receptor 1 (Kinase)
Gene: FLT1
UniProt: P17948 (VGFR1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 9.678
Action type: INHIBITOR
Drug: tivozanib
Target: Vascular endothelial growth factor receptor 2 (Kinase)
Gene: KDR
UniProt: P35968 (VGFR2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 9.796
Action type: INHIBITOR
Drug: tivozanib
Target: Vascular endothelial growth factor receptor 3 (Kinase)
Gene: FLT4
UniProt: P35916 (VGFR3_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 9.62
Action type: INHIBITOR
Drug: abemaciclib
Target: Potassium voltage-gated channel subfamily H member 2 (Ion channel)
Gene: KCNH2
UniProt: Q12809 (KCNH2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.96
Assay: Inhibition of human ERG
Drug: abemaciclib
Target: Cyclin-dependent kinase 1 (Kinase)
Gene: CDK1
UniProt: P06493 (CDK1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.82
Assay: Inhibition of CDK1 (unknown origin) using U-light as substrate preincubated for 1 hr followed by EDTA addition measured after 1 hr by LANCE Ultra kinase assay
Drug: abemaciclib
Target: Cyclin-dependent kinase 9 (Kinase)
Gene: CDK9
UniProt: P50750 (CDK9_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.24
Assay: Inhibition of CDK9 (unknown origin)
Drug: abemaciclib
Target: Cyclin-dependent kinase 7 (Kinase)
Gene: CDK7
UniProt: P50613 (CDK7_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.52
Assay: Inhibition of CDK7 (unknown origin)
Drug: abemaciclib
Target: Cyclin-dependent kinase 6 (Kinase)
Gene: CDK6
UniProt: Q00534 (CDK6_HUMAN)
Organism: Homo sapiens
Activity: Ki = 8.62
Action type: INHIBITOR
Drug: abemaciclib
Target: Cyclin-dependent kinase 4 (Kinase)
Gene: CDK4
UniProt: P11802 (CDK4_HUMAN)
Organism: Homo sapiens
Activity: Ki = 9.222
Action type: INHIBITOR
Drug: acalabrutinib
Target: Receptor tyrosine-protein kinase erbB-2 (Kinase)
Gene: ERBB2
UniProt: P04626 (ERBB2_HUMAN)
Organism: Homo sapiens
Activity: Kd = 8.13
Assay: Binding affinity to DNA-tagged recombinant ERBB2 (unknown origin) measured after 1 hr by biotinylated-ligand affinity bead-based qPCR analysis
Drug: acalabrutinib
Target: Tyrosine-protein kinase Lyn (Kinase)
Gene: LYN
UniProt: P07948 (LYN_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 6
Action type: INHIBITOR
Drug: acalabrutinib
Target: Receptor tyrosine-protein kinase erbB-4 (Kinase)
Gene: ERBB4
UniProt: Q15303 (ERBB4_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.796
Action type: INHIBITOR
Drug: acalabrutinib
Target: Cytoplasmic tyrosine-protein kinase BMX (Kinase)
Gene: BMX
UniProt: P51813 (BMX_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.337
Action type: INHIBITOR
Drug: acalabrutinib
Target: Tyrosine-protein kinase Tec (Kinase)
Gene: TEC
UniProt: P42680 (TEC_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.032
Action type: INHIBITOR
Drug: acalabrutinib
Target: Tyrosine-protein kinase TXK (Kinase)
Gene: TXK
UniProt: P42681 (TXK_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.434
Action type: INHIBITOR
Drug: acalabrutinib
Target: Tyrosine-protein kinase BTK (Kinase)
Gene: BTK
UniProt: Q06187 (BTK_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8.292
Action type: INHIBITOR
Drug: latanoprostene bunod
Target: Prostaglandin F2-alpha receptor (GPCR)
Gene: PTGFR
UniProt: P37289 (PF2R_BOVIN)
Organism: Bos taurus
Activity: Ki = 7.01
Assay: Displacement of [3H]PGF2 alpha from FP receptor in bovine corpus luteum membrane
Drug: latanoprostene bunod
Target: Prostaglandin F2-alpha receptor (GPCR)
Gene: PTGFR
UniProt: P43088 (PF2R_HUMAN)
Organism: Homo sapiens
Activity: Ki ~ 8.6
Action type: AGONIST
Assay: Value based on agonist activity of latanoprost.
Drug: letermovir
Target: DNA terminase complex (Enzyme)
Gene: TRM1|TRM2|TRM3
UniProt: F5HC79|F5HGI9|F5HCU8 (TRM1_HCMVM|TRM2_HCMVM|TRM3_HCMVM)
Organism: Human cytomegalovirus (strain Merlin)
Activity: EC50 = 8.678
Action type: INHIBITOR
Drug: benralizumab
Target: Interleukin-5 receptor subunit alpha (Membrane receptor)
Gene: IL5RA
UniProt: Q01344 (IL5RA_HUMAN)
Organism: Homo sapiens
Activity: Kd = 10.959
Action type: ANTIBODY BINDING
Drug: semaglutide
Target: Glucagon-like peptide 1 receptor (GPCR)
Gene: GLP1R
UniProt: P43220 (GLP1R_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 9.42
Action type: AGONIST
Drug: emicizumab
Target: Coagulation factor X (Enzyme)
Gene: F10
UniProt: P00742 (FA10_HUMAN)
Organism: Homo sapiens
Activity: Kd = 5.73
Action type: ANTIBODY BINDING
Assay: Determined by surface plasmon resonance analysis.
Drug: emicizumab
Target: Coagulation factor IX (Enzyme)
Gene: F9
UniProt: P00740 (FA9_HUMAN)
Organism: Homo sapiens
Activity: Kd = 5.8
Action type: ANTIBODY BINDING
Assay: Determined by surface plasmon resonance analysis.
Drug: netarsudil
Target: Rho-associated protein kinase 1 (Kinase)
Gene: ROCK1
UniProt: Q13464 (ROCK1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.49
Action type: INHIBITOR
Drug: netarsudil
Target: Rho-associated protein kinase 2 (Kinase)
Gene: ROCK2
UniProt: O75116 (ROCK2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 8.377
Action type: INHIBITOR
Drug: ertugliflozin
Target: Sodium/glucose cotransporter 2 (Transporter)
Gene: Slc5a2
UniProt: P53792 (SC5A2_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 8.94
Assay: Inhibition of rat SGLT2
Drug: ertugliflozin
Target: Low affinity sodium-glucose cotransporter (Transporter)
Gene: SLC5A4
UniProt: Q9NY91 (SC5A4_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 9.06
Assay: Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of methyl alpha-D-glucopyranoside uptake after 1 hr
Drug: ertugliflozin
Target: Sodium/glucose cotransporter 1 (Transporter)
Gene: SLC5A1
UniProt: P13866 (SC5A1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.708
Action type: INHIBITOR
Drug: ertugliflozin
Target: Sodium/glucose cotransporter 2 (Transporter)
Gene: SLC5A2
UniProt: P31639 (SC5A2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 9.057
Action type: INHIBITOR
Drug: macimorelin
Target: Growth hormone secretagogue receptor type 1 (GPCR)
Gene: GHSR
UniProt: Q92847 (GHSR_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.81
Action type: AGONIST
Assay: In a radioligand displacement assay using <sup>125</sup>I-labeled ghrelin as the probe, and human pituitary gland samples.
Drug: angiotensin II
Target: Type-2 angiotensin II receptor (GPCR)
Gene: AGTR2
UniProt: P50052 (AGTR2_HUMAN)
Organism: Homo sapiens
Activity: Kd = 10.2
Action type: AGONIST
Drug: angiotensin II
Target: Type-1B angiotensin II receptor (GPCR)
Gene: Agtr1b
UniProt: P29089 (AGTRB_RAT)
Organism: Rattus norvegicus
Activity: Ki = 9.51
Assay: In vitro binding affinity at rat liver Angiotensin II receptor, type 1 was determined based on displacement of [125I]-Ang II
Drug: angiotensin II
Target: Type-1 angiotensin II receptor (GPCR)
Gene: AGTR1
UniProt: P25104 (AGTR1_BOVIN)
Organism: Bos taurus
Activity: Kd = 8.24
Assay: Dissociation constant for [125 I] Ang binding to type 1 Angiotensin II receptor of bovine adrenocortical membranes
Drug: angiotensin II
Target: Type-1A angiotensin II receptor (GPCR)
Gene: Agtr1
UniProt: P25095 (AGTRA_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 9.4
Assay: Displacement of [125I]Sar1,Ile8-Ang2 from AT1 receptor in Wistar rat hepatic membrane
Drug: angiotensin II
Target: Type-1 angiotensin II receptor (GPCR)
Gene: AGTR1
UniProt: P30556 (AGTR1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 9.3
Action type: AGONIST
Drug: bictegravir
Target: Integrase (Enzyme)
UniProt: Q76353 (Q76353_9HIV1)
Organism: Human immunodeficiency virus 1
Activity: IC50 = 8.12
Assay: Inhibition of HIV integrase strand transfer activity
Drug: bictegravir
Target: Integrase (Unclassified)
UniProt: Q76353 (Q76353_9HIV1)
Organism: Human immunodeficiency virus 1
Activity: IC50 = 8.12
Assay: Inhibition of HIV integrase strand transfer activity
Drug: bictegravir
Target: Integrase (Enzyme)
Gene: pol
UniProt: Q7ZJM1 (Q7ZJM1_9HIV1)
Organism: Human immunodeficiency virus 1
Activity: IC50 = 8.125
Action type: INHIBITOR
Assay: HIV-1 integrase catalyzed strand transfer
Drug: lutetium (177Lu) oxodotreotide
Target: Somatostatin receptor type 2 (GPCR)
Gene: SSTR2
UniProt: P30874 (SSR2_HUMAN)
Organism: Homo sapiens
Action type: AGONIST
Drug: tezacaftor
Target: Cystic fibrosis transmembrane conductance regulator (Ion channel)
Gene: CFTR
UniProt: P13569 (CFTR_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 6.57
Action type: PHARMACOLOGICAL CHAPERONE
Assay: Correction activity at CFTR F508 deletion mutant (unknown origin) expressed in mouse NIH/3T3 cells assessed as increase in cAMP/genistein-dependent current amplitude incubated for 10 mins at 37 degC by patch clamp method
Drug: elobixibat
Target: Ileal sodium/bile acid cotransporter (Transporter)
Gene: SLC10A2
UniProt: Q12908 (NTCP2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 9.276
Action type: INHIBITOR
Drug: apalutamide
Target: Androgen receptor (Transcription factor)
Gene: Ar
UniProt: P15207 (ANDR_RAT)
Organism: Rattus norvegicus
Activity: Ki = 7.03
Action type: ANTAGONIST
Assay: Binding affinity measured in competition with [<sup>3</sup>H]mibolerone using wtAR isolated from rat ventral prostates.
Drug: apalutamide
Target: Androgen receptor (Nuclear hormone receptor)
Gene: AR
UniProt: P10275 (ANDR_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.796
Action type: INHIBITOR
Assay: equilibrium-binding affinity of ARN-509 for AR measured in competition with 16b-[18F]fluoro-5a-DHT
Drug: ibalizumab
Target: T-cell surface glycoprotein CD4 (Membrane receptor)
Gene: CD4
UniProt: P01730 (CD4_HUMAN)
Organism: Homo sapiens
Action type: ANTIBODY BINDING
Drug: fostamatinib
Target: Proto-oncogene tyrosine-protein kinase receptor Ret (Kinase)
Gene: RET
UniProt: P07949 (RET_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8.3
Action type: INHIBITOR
Drug: fostamatinib
Target: Vascular endothelial growth factor receptor 2 (Kinase)
Gene: KDR
UniProt: P35968 (VGFR2_HUMAN)
Organism: Homo sapiens
Activity: Kd = 7.16
Assay: Inhibition of vascular endothelial growth factor receptor 2
Drug: fostamatinib
Target: Adenosine receptor A3 (GPCR)
Gene: ADORA3
UniProt: P0DMS8 (AA3R_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.092
Action type: INHIBITOR
Drug: fostamatinib
Target: Tyrosine-protein kinase SYK (Kinase)
Gene: SYK
UniProt: P43405 (KSYK_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.387
Action type: INHIBITOR
Drug: tildrakizumab
Target: Interleukin-23 (Cytokine)
Gene: IL12B|IL23A
UniProt: P29460|Q9NPF7 (IL12B_HUMAN|IL23A_HUMAN)
Organism: Homo sapiens
Activity: Kd  9.5
Action type: ANTIBODY BINDING
Drug: burosumab
Target: Fibroblast growth factor 23 (Secreted)
Gene: FGF23
UniProt: Q9GZV9 (FGF23_HUMAN)
Organism: Homo sapiens
Action type: ANTIBODY BINDING
Drug: fosnetupitant
Target: Substance-P receptor (GPCR)
Gene: TACR1
UniProt: P25103 (NK1R_HUMAN)
Organism: Homo sapiens
Activity: Ki = 9.022
Action type: ANTAGONIST
Assay: displacement of [3H]-labelled substance P from cloned human receptor expressed in CHO cells
Drug: erenumab
Target: Calcitonin-gene-related peptide receptor (GPCR)
Gene: RAMP1|CALCRL
UniProt: O60894|Q16602 (RAMP1_HUMAN|CALRL_HUMAN)
Organism: Homo sapiens
Activity: Ki  10.699
Action type: ANTIBODY BINDING
Drug: avatrombopag
Target: Thrombopoietin receptor (Membrane receptor)
Gene: MPL
UniProt: P40238 (TPOR_HUMAN)
Organism: Homo sapiens
Activity: EC50 - 8.481
Action type: AGONIST
Drug: moxidectin
Target: Glutamate-gated chloride channel (Ion channel)
Gene: GluClX
UniProt: Q25634 (Q25634_ONCVO)
Organism: Onchocerca volvulus
Action type: INHIBITOR
Drug: cannabidiol
Target: Cannabinoid receptor 1 (GPCR)
Gene: CNR1
UniProt: P21554 (CNR1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.62
Assay: Displacement of [3H]CP-55940 from human cannabinoid CB1 receptor expressed in CHO cells
Drug: cannabidiol
Target: Cannabinoid receptor 2 (GPCR)
Gene: CNR2
UniProt: P34972 (CNR2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.54
Assay: Binding affinity to human CB2 receptor
Drug: cannabidiol
Target: N-arachidonyl glycine receptor (GPCR)
Gene: GPR18
UniProt: Q14330 (GPR18_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 4.29
Action type: AGONIST
Drug: cannabidiol
Target: Cannabinoid receptor 1 (GPCR)
Gene: Cnr1
UniProt: P20272 (CNR1_RAT)
Organism: Rattus norvegicus
Activity: Ki = 5.9
Assay: Binding affinity for Cannabinoid receptor 1 by the ability to displace radiolabeled CP-55940 from purified rat forebrain synaptosomes
Drug: cannabidiol
Target: Cannabinoid receptor 2 (GPCR)
Gene: Cnr2
UniProt: P47936 (CNR2_MOUSE)
Organism: Mus musculus
Activity: Ki = 6.64
Assay: Binding affinity for Cannabinoid receptor 2 by the ability to displace radiolabeled CP-55940 from mouse spleen synaptosomes
Drug: cannabidiol
Target: Fatty-acid amide hydrolase 1 (Enzyme)
Gene: Faah
UniProt: P97612 (FAAH1_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 4.27
Assay: Inhibition of FAAH in rat brain membranes using [14C]-AEA as substrate measured after 30 mins by scintillation counting method
Drug: cannabidiol
Target: Transient receptor potential cation channel subfamily V member 2 (Ion channel)
Gene: Trpv2
UniProt: Q9WUD2 (TRPV2_RAT)
Organism: Rattus norvegicus
Activity: EC50 = 5.43
Action type: ACTIVATOR
Drug: cannabidiol
Target: Transient receptor potential cation channel subfamily V member 2 (Ion channel)
Gene: TRPV2
UniProt: Q9Y5S1 (TRPV2_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 4.5
Action type: ACTIVATOR
Drug: cannabidiol
Target: Transient receptor potential cation channel subfamily V member 1 (Ion channel)
Gene: TRPV1
UniProt: Q8NER1 (TRPV1_HUMAN)
Organism: Homo sapiens
Action type: INHIBITOR
Drug: cannabidiol
Target: G-protein coupled receptor 55 (GPCR)
Gene: GPR55
UniProt: Q9Y2T6 (GPR55_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 6.35
Action type: ANTAGONIST
Assay: Binding affinity to GPR55
Drug: encorafenib
Target: Mitogen-activated protein kinase 14 (Kinase)
Gene: MAPK14
UniProt: Q16539 (MK14_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.66
Assay: Inhibition of IL1-beta-induced p38alpha phosphorylation in human A549 cells pre-incubated for 30 mins before IL1-beta stimulation and measured after 7 to 8 hrs post IL1-beta stimulation by Bright-Glo luciferase reporter gene assay
Drug: encorafenib
Target: RAF proto-oncogene serine/threonine-protein kinase (Kinase)
Gene: RAF1
UniProt: P04049 (RAF1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 9.523
Action type: INHIBITOR
Drug: encorafenib
Target: Serine/threonine-protein kinase B-raf (Kinase)
Gene: BRAF
UniProt: P15056 (BRAF_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 9.328
Action type: INHIBITOR
Drug: binimetinib
Target: Dual specificity mitogen-activated protein kinase kinase 1 (Kinase)
Gene: MAP2K1
UniProt: Q02750 (MP2K1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.9
Action type: INHIBITOR
Drug: binimetinib
Target: Dual specificity mitogen-activated protein kinase kinase 2 (Kinase)
Gene: MAP2K2
UniProt: P36507 (MP2K2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.9
Action type: INHIBITOR
Drug: tecovirimat
Target: Envelope protein F13 (Viral envelope protein)
Gene: C17L
UniProt: P33815 (F13_VAR67)
Organism: Variola virus (isolate Human/India/Ind3/1967)
Activity: EC50 = 7.382
Action type: INHIBITOR
Assay: activity in cell culture assays
Drug: ivosidenib
Target: Isocitrate dehydrogenase [NADP] cytoplasmic (Enzyme)
Gene: IDH1
UniProt: O75874 (IDHC_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.149
Action type: INHIBITOR
Assay: The enzyme and compound were preincubated for 1h
Drug: elagolix
Target: Gonadotropin-releasing hormone receptor (GPCR)
Gene: Gnrhr
UniProt: P30969 (GNRHR_RAT)
Organism: Rattus norvegicus
Activity: Ki = 5.36
Assay: Displacement of [125I-Tyr5,DLeu6,NMeLeu7,Pro9-NEt-]GnRH from rat GnRH receptor expressed in CHO cells by liquid scintillation counting
Drug: elagolix
Target: Gonadotropin-releasing hormone receptor (GPCR)
Gene: GNRHR
UniProt: Q8SPZ1 (GNRHR_MACMU)
Organism: Macaca mulatta
Activity: Ki = 8.48
Assay: Displacement of [125I-Tyr5,DLeu6,NMeLeu7,Pro9-NEt-]GnRH from monkey GnRH receptor expressed in CHO cells by liquid scintillation counting
Drug: elagolix
Target: Gonadotropin-releasing hormone receptor (GPCR)
Gene: GNRHR
UniProt: P30968 (GNRHR_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8.824
Action type: ANTAGONIST
Assay: determined by competition for [125I-Tyr5,DLeu6,NMeLeu7,Pro9-NEt-]GnRH from human GnRH receptor
Drug: doravirine
Target: Reverse transcriptase (Enzyme)
Gene: reverse transcriptas
UniProt: Q9WKE8 (Q9WKE8_9HIV1)
Organism: Human immunodeficiency virus 1
Activity: IC50 = 7.72
Assay: Inhibition of recombinant wild type HIV1 reverse transcriptase assessed as reduction in biotin-dUTP incorporation using poly(A)/oligo(dT)15 as template/primer after 1 hr by ELISA
Drug: doravirine
Target: Reverse transcriptase (Unclassified)
Gene: reverse transcriptas
UniProt: Q9WKE8 (Q9WKE8_9HIV1)
Organism: Human immunodeficiency virus 1
Activity: IC50 = 7.72
Assay: Inhibition of recombinant wild type HIV1 reverse transcriptase assessed as reduction in biotin-dUTP incorporation using poly(A)/oligo(dT)15 as template/primer after 1 hr by ELISA
Drug: doravirine
Target: Reverse transcriptase/RNaseH (Enzyme)
Gene: pol
UniProt: Q72547 (Q72547_9HIV1)
Organism: Human immunodeficiency virus 1
Activity: EC50 = 7.921
Action type: INHIBITOR
Assay: cellular activity; wild type