AIM-Harvard/TrialPanorama-filtered huggingface dataset:
Drug: bosutinib
Target: Dual specificity mitogen-activated protein kinase kinase 4 (Kinase)
Gene: MAP2K4
UniProt: P45985 (MP2K4_HUMAN)
Organism: Homo sapiens
Activity: Kd = 5.59
Assay: Binding constant for MEK4 kinase domain
Drug: bosutinib
Target: Dual specificity mitogen-activated protein kinase kinase 6 (Kinase)
Gene: MAP2K6
UniProt: P52564 (MP2K6_HUMAN)
Organism: Homo sapiens
Activity: Kd = 5.89
Assay: Binding constant for MEK6 kinase domain
Drug: bosutinib
Target: Tyrosine-protein kinase Mer (Kinase)
Gene: MERTK
UniProt: Q12866 (MERTK_HUMAN)
Organism: Homo sapiens
Activity: Kd = 6.96
Assay: Binding constant for MERTK kinase domain
Drug: bosutinib
Target: Mitogen-activated protein kinase kinase kinase 9 (Kinase)
Gene: MAP3K9
UniProt: P80192 (M3K9_HUMAN)
Organism: Homo sapiens
Activity: Kd = 5.57
Assay: Binding constant for MLK1 kinase domain
Drug: bosutinib
Target: Mitogen-activated protein kinase kinase kinase 11 (Kinase)
Gene: MAP3K11
UniProt: Q16584 (M3K11_HUMAN)
Organism: Homo sapiens
Activity: Kd = 5.57
Assay: Binding constant for MLK3 kinase domain
Drug: bosutinib
Target: Serine/threonine-protein kinase 24 (Kinase)
Gene: STK24
UniProt: Q9Y6E0 (STK24_HUMAN)
Organism: Homo sapiens
Activity: Kd = 6.42
Assay: Binding constant for MST3 kinase domain
Drug: bosutinib
Target: Citron Rho-interacting kinase (Kinase)
Gene: CIT
UniProt: O14578 (CTRO_HUMAN)
Organism: Homo sapiens
Activity: Kd = 5.62
Assay: Binding constant for CIT kinase domain
Drug: bosutinib
Target: Myosin-IIIa (Kinase)
Gene: MYO3A
UniProt: Q8NEV4 (MYO3A_HUMAN)
Organism: Homo sapiens
Activity: Kd = 5.21
Assay: Binding constant for MYO3A kinase domain
Drug: bosutinib
Target: Myosin-IIIb (Kinase)
Gene: MYO3B
UniProt: Q8WXR4 (MYO3B_HUMAN)
Organism: Homo sapiens
Activity: Kd = 5.64
Assay: Binding constant for MYO3B kinase domain
Drug: bosutinib
Target: Serine/threonine-protein kinase PAK 1 (Kinase)
Gene: PAK1
UniProt: Q13153 (PAK1_HUMAN)
Organism: Homo sapiens
Activity: Kd = 5.64
Assay: Binding constant for PAK1 kinase domain
Drug: bosutinib
Target: Serine/threonine-protein kinase PAK 2 (Kinase)
Gene: PAK2
UniProt: Q13177 (PAK2_HUMAN)
Organism: Homo sapiens
Activity: Kd = 5.72
Assay: Binding constant for PAK2 kinase domain
Drug: bosutinib
Target: Serine/threonine-protein kinase SIK1 (Kinase)
Gene: SIK1
UniProt: P57059 (SIK1_HUMAN)
Organism: Homo sapiens
Activity: Kd = 7.52
Assay: Binding constant for SIK kinase domain
Drug: bosutinib
Target: Tyrosine-protein kinase Srms (Kinase)
Gene: SRMS
UniProt: Q9H3Y6 (SRMS_HUMAN)
Organism: Homo sapiens
Activity: Kd = 7
Assay: Binding constant for SRMS kinase domain
Drug: bosutinib
Target: Ephrin type-A receptor 1 (Kinase)
Gene: EPHA1
UniProt: P21709 (EPHA1_HUMAN)
Organism: Homo sapiens
Activity: Kd = 5.64
Assay: Binding constant for EPHA1 kinase domain
Drug: bosutinib
Target: Ephrin type-B receptor 3 (Kinase)
Gene: EPHB3
UniProt: P54753 (EPHB3_HUMAN)
Organism: Homo sapiens
Activity: Kd = 6.68
Assay: Binding constant for EPHB3 kinase domain
Drug: bosutinib
Target: Mitogen-activated protein kinase 7 (Kinase)
Gene: MAPK7
UniProt: Q13164 (MK07_HUMAN)
Organism: Homo sapiens
Activity: Kd = 5.64
Assay: Binding constant for ERK5 kinase domain
Drug: bosutinib
Target: Serine/threonine-protein kinase D3 (Kinase)
Gene: PRKD3
UniProt: O94806 (KPCD3_HUMAN)
Organism: Homo sapiens
Activity: Kd = 5.34
Assay: Binding constant for PRKD3 kinase domain
Drug: bosutinib
Target: Tyrosine-protein kinase Fes/Fps (Kinase)
Gene: FES
UniProt: P07332 (FES_HUMAN)
Organism: Homo sapiens
Activity: Kd = 6.48
Assay: Binding constant for FES kinase domain
Drug: bosutinib
Target: Casein kinase I isoform alpha (Kinase)
Gene: CSNK1A1
UniProt: P48729 (KC1A_HUMAN)
Organism: Homo sapiens
Activity: Kd = 6.55
Assay: Binding constant for CSNK1A1 kinase domain
Drug: bosutinib
Target: Mitogen-activated protein kinase kinase kinase kinase 2 (Kinase)
Gene: MAP4K2
UniProt: Q12851 (M4K2_HUMAN)
Organism: Homo sapiens
Activity: Kd = 8.51
Assay: Binding constant for MAP4K2 kinase domain
Drug: bosutinib
Target: Misshapen-like kinase 1 (Kinase)
Gene: MINK1
UniProt: Q8N4C8 (MINK1_HUMAN)
Organism: Homo sapiens
Activity: Kd = 8.49
Assay: Binding constant for MINK kinase domain
Drug: bosutinib
Target: Serine/threonine-protein kinase TBK1 (Kinase)
Gene: TBK1
UniProt: Q9UHD2 (TBK1_HUMAN)
Organism: Homo sapiens
Activity: Kd = 6.6
Assay: Binding constant for TBK1 kinase domain
Drug: bosutinib
Target: Tyrosine-protein kinase Blk (Kinase)
Gene: Blk
UniProt: P16277 (BLK_MOUSE)
Organism: Mus musculus
Activity: IC50 = 8.14
Assay: Inhibition of mouse BLK
Drug: bosutinib
Target: Interleukin-1 receptor-associated kinase 4 (Kinase)
Gene: IRAK4
UniProt: Q9NWZ3 (IRAK4_HUMAN)
Organism: Homo sapiens
Activity: Kd = 6.44
Assay: Binding constant for IRAK4 kinase domain
Drug: bosutinib
Target: Serine/threonine-protein kinase Chk2 (Kinase)
Gene: CHEK2
UniProt: O96017 (CHK2_HUMAN)
Organism: Homo sapiens
Activity: Kd = 6.92
Assay: Binding constant for CHEK2 kinase domain
Drug: bosutinib
Target: Ephrin type-B receptor 6 (Kinase)
Gene: EPHB6
UniProt: O15197 (EPHB6_HUMAN)
Organism: Homo sapiens
Activity: Kd = 5.52
Assay: Binding constant for EPHB6 kinase domain
Drug: bosutinib
Target: G protein-coupled receptor kinase 4 (Kinase)
Gene: GRK4
UniProt: P32298 (GRK4_HUMAN)
Organism: Homo sapiens
Activity: Kd = 5.31
Assay: Binding constant for GRK4 kinase domain
Drug: bosutinib
Target: G protein-coupled receptor kinase 7 (Kinase)
Gene: GRK7
UniProt: Q8WTQ7 (GRK7_HUMAN)
Organism: Homo sapiens
Activity: Kd = 5.77
Assay: Binding constant for GRK7 kinase domain
Drug: bosutinib
Target: Homeodomain-interacting protein kinase 2 (Kinase)
Gene: HIPK2
UniProt: Q9H2X6 (HIPK2_HUMAN)
Organism: Homo sapiens
Activity: Kd = 5.72
Assay: Binding constant for HIPK2 kinase domain
Drug: bosutinib
Target: Homeodomain-interacting protein kinase 3 (Kinase)
Gene: HIPK3
UniProt: Q9H422 (HIPK3_HUMAN)
Organism: Homo sapiens
Activity: Kd = 5.49
Assay: Binding constant for HIPK3 kinase domain
Drug: bosutinib
Target: Homeodomain-interacting protein kinase 4 (Kinase)
Gene: HIPK4
UniProt: Q8NE63 (HIPK4_HUMAN)
Organism: Homo sapiens
Activity: Kd = 6.89
Assay: Binding constant for HIPK4 kinase domain
Drug: bosutinib
Target: Hormonally up-regulated neu tumor-associated kinase (Kinase)
Gene: HUNK
UniProt: P57058 (HUNK_HUMAN)
Organism: Homo sapiens
Activity: Kd = 5.3
Assay: Binding constant for HUNK kinase domain
Drug: bosutinib
Target: Interleukin-1 receptor-associated kinase 1 (Kinase)
Gene: IRAK1
UniProt: P51617 (IRAK1_HUMAN)
Organism: Homo sapiens
Activity: Kd = 6.22
Assay: Binding constant for IRAK1 kinase domain
Drug: bosutinib
Target: Mitogen-activated protein kinase kinase kinase 13 (Kinase)
Gene: MAP3K13
UniProt: O43283 (M3K13_HUMAN)
Organism: Homo sapiens
Activity: Kd = 6.32
Assay: Binding constant for LZK kinase domain
Drug: bosutinib
Target: Mitogen-activated protein kinase kinase kinase 2 (Kinase)
Gene: MAP3K2
UniProt: Q9Y2U5 (M3K2_HUMAN)
Organism: Homo sapiens
Activity: Kd = 7.52
Assay: Binding constant for MAP3K2 kinase domain
Drug: bosutinib
Target: Mitogen-activated protein kinase kinase kinase 3 (Kinase)
Gene: MAP3K3
UniProt: Q99759 (M3K3_HUMAN)
Organism: Homo sapiens
Activity: Kd = 7.27
Assay: Binding constant for MAP3K3 kinase domain
Drug: bosutinib
Target: Microtubule-associated serine/threonine-protein kinase 1 (Kinase)
Gene: MAST1
UniProt: Q9Y2H9 (MAST1_HUMAN)
Organism: Homo sapiens
Activity: Kd = 6.46
Assay: Binding constant for MAST1 kinase domain
Drug: bosutinib
Target: Serine/threonine-protein kinase NIM1 (Kinase)
Gene: NIM1K
UniProt: Q8IY84 (NIM1_HUMAN)
Organism: Homo sapiens
Activity: Kd = 5.82
Assay: Binding constant for NIM1 kinase domain
Drug: bosutinib
Target: SRSF protein kinase 3 (Kinase)
Gene: SRPK3
UniProt: Q9UPE1 (SRPK3_HUMAN)
Organism: Homo sapiens
Activity: Kd = 5.41
Assay: Binding constant for SRPK3 kinase domain
Drug: bosutinib
Target: STE20/SPS1-related proline-alanine-rich protein kinase (Kinase)
Gene: STK39
UniProt: Q9UEW8 (STK39_HUMAN)
Organism: Homo sapiens
Activity: Kd = 5.43
Assay: Binding constant for STK39 kinase domain
Drug: bosutinib
Target: Mitogen-activated protein kinase kinase kinase 7 (Kinase)
Gene: MAP3K7
UniProt: O43318 (M3K7_HUMAN)
Organism: Homo sapiens
Activity: Kd = 7
Assay: Binding constant for TAK1 kinase domain
Drug: bosutinib
Target: Serine/threonine-protein kinase TAO1 (Kinase)
Gene: TAOK1
UniProt: Q7L7X3 (TAOK1_HUMAN)
Organism: Homo sapiens
Activity: Kd = 5.89
Assay: Binding constant for TAOK1 kinase domain
Drug: bosutinib
Target: Serine/threonine-protein kinase TAO3 (Kinase)
Gene: TAOK3
UniProt: Q9H2K8 (TAOK3_HUMAN)
Organism: Homo sapiens
Activity: Kd = 6.47
Assay: Binding constant for TAOK3 kinase domain
Drug: bosutinib
Target: Serine/threonine-protein kinase ULK1 (Kinase)
Gene: ULK1
UniProt: O75385 (ULK1_HUMAN)
Organism: Homo sapiens
Activity: Kd = 5.92
Assay: Binding constant for ULK1 kinase domain
Drug: bosutinib
Target: Serine/threonine-protein kinase ULK2 (Kinase)
Gene: ULK2
UniProt: Q8IYT8 (ULK2_HUMAN)
Organism: Homo sapiens
Activity: Kd = 6.35
Assay: Binding constant for ULK2 kinase domain
Drug: bosutinib
Target: Serine/threonine-protein kinase ULK3 (Kinase)
Gene: ULK3
UniProt: Q6PHR2 (ULK3_HUMAN)
Organism: Homo sapiens
Activity: Kd = 6.34
Assay: Binding constant for ULK3 kinase domain
Drug: bosutinib
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: bosutinib
Target: Homeodomain-interacting protein kinase 1 (Kinase)
Gene: HIPK1
UniProt: Q86Z02 (HIPK1_HUMAN)
Organism: Homo sapiens
Activity: Kd = 6.28
Assay: Binding constant for HIPK1 kinase domain
Drug: bosutinib
Target: Serine/threonine-protein kinase PLK2 (Kinase)
Gene: PLK2
UniProt: Q9NYY3 (PLK2_HUMAN)
Organism: Homo sapiens
Activity: Kd = 6.02
Assay: Binding constant for PLK2 kinase domain
Drug: bosutinib
Target: Serine/threonine-protein kinase 35 (Kinase)
Gene: STK35
UniProt: Q8TDR2 (STK35_HUMAN)
Organism: Homo sapiens
Activity: Kd = 8.7
Assay: Binding constant for STK35 kinase domain
Drug: bosutinib
Target: Megakaryocyte-associated tyrosine-protein kinase (Kinase)
Gene: MATK
UniProt: P42679 (MATK_HUMAN)
Organism: Homo sapiens
Activity: Kd = 5.24
Assay: Binding constant for CTK kinase domain
Drug: bosutinib
Target: Receptor tyrosine-protein kinase erbB-3 (Kinase)
Gene: ERBB3
UniProt: P21860 (ERBB3_HUMAN)
Organism: Homo sapiens
Activity: Kd = 9.11
Assay: Binding constant for ERBB3 kinase domain
Drug: bosutinib
Target: Mitogen-activated protein kinase kinase kinase 1 (Kinase)
Gene: MAP3K1
UniProt: Q13233 (M3K1_HUMAN)
Organism: Homo sapiens
Activity: Kd = 5.36
Assay: Binding constant for MAP3K1 kinase domain
Drug: bosutinib
Target: Serine/threonine-protein kinase SIK3 (Kinase)
Gene: SIK3
UniProt: Q9Y2K2 (SIK3_HUMAN)
Organism: Homo sapiens
Activity: Kd = 7.19
Assay: Binding constant for QSK kinase domain
Drug: bosutinib
Target: Wee1-like protein kinase 2 (Kinase)
Gene: WEE2
UniProt: P0C1S8 (WEE2_HUMAN)
Organism: Homo sapiens
Activity: Kd = 7.03
Assay: Binding constant for WEE2 kinase domain
Drug: bosutinib
Target: Serine/threonine-protein kinase 32A (Kinase)
Gene: STK32A
UniProt: Q8WU08 (ST32A_HUMAN)
Organism: Homo sapiens
Activity: Kd = 5.74
Assay: Binding constant for YANK1 kinase domain
Drug: bosutinib
Target: Peripheral plasma membrane protein CASK (Kinase)
Gene: CASK
UniProt: O14936 (CSKP_HUMAN)
Organism: Homo sapiens
Activity: Kd = 6.08
Assay: Binding constant for CASK kinase domain
Drug: bosutinib
Target: Serine/threonine-protein kinase VRK2 (Kinase)
Gene: VRK2
UniProt: Q86Y07 (VRK2_HUMAN)
Organism: Homo sapiens
Activity: Kd = 6.15
Assay: Binding constant for VRK2 kinase domain
Drug: bosutinib
Target: Mitogen-activated protein kinase kinase kinase 12 (Kinase)
Gene: MAP3K12
UniProt: Q12852 (M3K12_HUMAN)
Organism: Homo sapiens
Activity: Kd = 6.17
Assay: Binding constant for DLK kinase domain
Drug: bosutinib
Target: Eukaryotic translation initiation factor 2-alpha kinase 1 (Kinase)
Gene: EIF2AK1
UniProt: Q9BQI3 (E2AK1_HUMAN)
Organism: Homo sapiens
Activity: Kd = 6.2
Assay: Binding constant for EIF2AK1 kinase domain
Drug: bosutinib
Target: Serine/threonine-protein kinase TAO2 (Kinase)
Gene: TAOK2
UniProt: Q9UL54 (TAOK2_HUMAN)
Organism: Homo sapiens
Activity: Kd = 5.72
Assay: Binding constant for TAOK2 kinase domain
Drug: bosutinib
Target: Dual specificity mitogen-activated protein kinase kinase 5 (Kinase)
Gene: MAP2K5
UniProt: Q13163 (MP2K5_HUMAN)
Organism: Homo sapiens
Activity: Kd = 8.09
Assay: Binding constant for MEK5 kinase domain
Drug: bosutinib
Target: Serine/threonine-protein kinase Nek11 (Kinase)
Gene: NEK11
UniProt: Q8NG66 (NEK11_HUMAN)
Organism: Homo sapiens
Activity: Kd = 6.19
Assay: Binding constant for NEK11 kinase domain
Drug: bosutinib
Target: Leucine-rich repeat serine/threonine-protein kinase 2 (Kinase)
Gene: LRRK2
UniProt: Q5S007 (LRRK2_HUMAN)
Organism: Homo sapiens
Activity: Kd = 6.3
Assay: Binding constant for LRRK2 kinase domain
Drug: bosutinib
Target: Dual serine/threonine and tyrosine protein kinase (Kinase)
Gene: DSTYK
UniProt: Q6XUX3 (DUSTY_HUMAN)
Organism: Homo sapiens
Activity: Kd = 6.42
Assay: Binding constant for RIPK5 kinase domain
Drug: bosutinib
Target: Serine/threonine-protein kinase PknB (Kinase)
Gene: pknB
UniProt: P9WI81 (PKNB_MYCTU)
Organism: Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Activity: Kd = 5.26
Assay: Binding constant for PKNB(M.tuberculosis) kinase domain
Drug: bosutinib
Target: NPM/ALK (Nucleophosmin/ALK tyrosine kinase receptor) (Kinase)
Gene: NPM1|ALK
UniProt: P06748|Q9UM73 (NPM_HUMAN|ALK_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.82
Assay: Inhibition of NPM/ALK L256T mutant kinase activity in BaF3 cells by radioenzymatic assay
Drug: bosutinib
Target: Tyrosine-protein kinase ABL (Kinase)
Gene: ABL1|ABL2
UniProt: P00519|P42684 (ABL1_HUMAN|ABL2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8.96
Assay: Inhibition of Abl kinase
Drug: bosutinib
Target: Bcr/Abl fusion protein (Kinase)
Gene: ABL1|BCR
UniProt: P00519|P11274 (ABL1_HUMAN|BCR_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.7
Assay: Inhibition of Bcr-Abl fusion protein
Drug: cetrimide
Target: Dynamin-1 (Structural)
Gene: DNM1
UniProt: Q05193 (DYN1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.24
Assay: Concentration required against dynamin-1 GTPase activity of sheep brain.
Drug: chenodiol
Target: fMet-Leu-Phe receptor (GPCR)
Gene: FPR1
UniProt: P21462 (FPR1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 4
Action type: ANTAGONIST
Drug: chenodiol
Target: Bile acid receptor (Nuclear hormone receptor)
Gene: NR1H4
UniProt: Q96RI1 (NR1H4_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 5.47
Action type: AGONIST
Assay: Ligand dependent recruitment of SRC1(676-700) peptide to human Farnesoid X-activated receptor by fluorescence resonance energy transfer assay
Drug: chenodiol
Target: G-protein coupled bile acid receptor 1 (GPCR)
Gene: GPBAR1
UniProt: Q8TDU6 (GPBAR_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 5.4
Action type: AGONIST
Drug: chiniofon
Target: Catechol O-methyltransferase (Enzyme)
Gene: Comt
UniProt: P22734 (COMT_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 5.15
Assay: Inhibition of Sprague-Dawley rat liver COMT after 10 mins using 0.05 uCi [14CH3]-SAM as substrate
Drug: vernakalant
Target: Sodium channel protein type 5 subunit alpha (Ion channel)
Gene: SCN5A
UniProt: Q14524 (SCN5A_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.73
Assay: Inhibition of human H1 Na+ channel expressed in HEK cells by patch clamp method
Drug: vernakalant
Target: Potassium voltage-gated channel subfamily H member 2 (Ion channel)
Gene: KCNH2
UniProt: Q12809 (KCNH2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.16
Assay: Inhibition of human ERG expressed in HEK cells by patch clamp method
Drug: vernakalant
Target: Potassium voltage-gated channel subfamily D member 2 (Ion channel)
Gene: KCND2
UniProt: Q9NZV8 (KCND2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.3
Assay: Inhibition of human KV4.2 expressed in HEK cells by patch clamp method
Drug: vernakalant
Target: Potassium voltage-gated channel subfamily A member 5 (Ion channel)
Gene: KCNA5
UniProt: P22460 (KCNA5_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.875
Action type: BLOCKER
Drug: voclosporin
Target: Peptidyl-prolyl cis-trans isomerase A (Enzyme)
Gene: PPIA
UniProt: P62937 (PPIA_HUMAN)
Organism: Homo sapiens
Activity: Kd = 7.82
Action type: INHIBITOR
Drug: sodium benzoate
Target: Carbonic anhydrase 2 (Enzyme)
Gene: CA2
UniProt: P00918 (CAH2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 4.52
Assay: Binding affinity against human cytosolic Carbonic anhydrase II
Drug: sodium benzoate
Target: Carbonic anhydrase 4 (Enzyme)
Gene: CA4
UniProt: P22748 (CAH4_HUMAN)
Organism: Homo sapiens
Activity: Ki = 4.13
Assay: Binding affinity against human cytosolic Carbonic anhydrase IV
Drug: sodium benzoate
Target: Carbonic anhydrase (Enzyme)
Gene: NCE103
UniProt: Q5AJ71 (CAN_CANAL)
Organism: Candida albicans (strain SC5314 / ATCC MYA-2876)
Activity: Ki = 4.61
Assay: Inhibition of Candida albicans Nce103
Drug: lorcaserin
Target: Sodium-dependent serotonin transporter (Transporter)
Gene: SLC6A4
UniProt: P31645 (SC6A4_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.58
Assay: Displacement of [3H]citalopram from SERT
Drug: lorcaserin
Target: 5-hydroxytryptamine receptor 2A (GPCR)
Gene: HTR2A
UniProt: P28223 (5HT2A_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.036
Drug: lorcaserin
Target: 5-hydroxytryptamine receptor 2B (GPCR)
Gene: HTR2B
UniProt: P41595 (5HT2B_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.833
Drug: lorcaserin
Target: 5-hydroxytryptamine receptor 2C (GPCR)
Gene: HTR2C
UniProt: P28335 (5HT2C_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.886
Action type: AGONIST
Drug: dequalinium
Target: Protein kinase C alpha type (Kinase)
Gene: PRKCA
UniProt: P17252 (KPCA_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.96
Assay: Inhibition of human recombinant PKCalpha
Drug: dequalinium
Target: Small conductance calcium-activated potassium channel protein 3 (Ion channel)
Gene: KCNN3
UniProt: Q9UGI6 (KCNN3_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.89
Assay: Inhibition of Kca2.3 channel expressed in HEK293 cells by thallium flux assay
Drug: dequalinium
Target: Small conductance calcium-activated potassium channel protein 3 (Ion channel)
Gene: Kcnn3
UniProt: P70605 (KCNN3_RAT)
Organism: Rattus norvegicus
Activity: Ki = 6.85
Assay: Displacement of [I125]apamine from Wistar rat recombinant SK3 channel expressed in HEK293 cells
Drug: dequalinium
Target: Small conductance calcium-activated potassium channel protein 1 (Ion channel)
Gene: KCNN1
UniProt: Q92952 (KCNN1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.4
Action type: BLOCKER
Drug: dequalinium
Target: Small conductance calcium-activated potassium channel protein 2 (Ion channel)
Gene: Kcnn2
UniProt: P70604 (KCNN2_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 6.8
Action type: BLOCKER
Drug: dequalinium
Target: cGMP-gated cation channel alpha-1 (Ion channel)
Gene: CNGA1
UniProt: P29973 (CNGA1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.7
Action type: BLOCKER
Drug: dequalinium
Target: Cyclic nucleotide-gated olfactory channel (Ion channel)
Gene: CNGA2
UniProt: Q16280 (CNGA2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.6
Action type: BLOCKER
Drug: degarelix
Target: Gonadotropin-releasing hormone receptor (GPCR)
Gene: GNRHR
UniProt: P30968 (GNRHR_HUMAN)
Organism: Homo sapiens
Activity: Ki = 8.77
Action type: ANTAGONIST
Drug: desvenlafaxine
Target: Sodium-dependent serotonin transporter (Transporter)
Gene: SLC6A4
UniProt: P31645 (SC6A4_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.325
Action type: INHIBITOR
Drug: desvenlafaxine
Target: Sodium-dependent noradrenaline transporter (Transporter)
Gene: SLC6A2
UniProt: P23975 (SC6A2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.275
Action type: INHIBITOR
Drug: desvenlafaxine
Target: Alpha-1A adrenergic receptor (GPCR)
Gene: Adra1a
UniProt: P43140 (ADA1A_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 7.22
Assay: Inhibition of binding of [3H]imipramine to imipramine receptor in rat brain
Drug: dapoxetine
Target: Sodium-dependent serotonin transporter (Transporter)
Gene: SLC6A4
UniProt: P31645 (SC6A4_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8.95
Action type: INHIBITOR
Assay: Inhibition of the reuptake of [<sup>3</sup>H]5-HT
Drug: mirabegron
Target: Beta-3 adrenergic receptor (GPCR)
Gene: ADRB3
UniProt: P13945 (ADRB3_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 7.65
Action type: AGONIST
Assay: cAMP accumulation in CHO cells expressing human beta-3 adrenergic receptor
Drug: choline theophyllinate
Target: Adenosine receptor A2a (GPCR)
Gene: ADORA2A
UniProt: P29274 (AA2AR_HUMAN)
Organism: Homo sapiens
Activity: Ki = 9.22
Action type: ANTAGONIST
Assay: Binding affinity for adenosine A2a receptor by using as [3H]ZM-241385 radioligand in membranes from HEK-A2A cells
Drug: choline theophyllinate
Target: Adenosine receptor A1 (GPCR)
Gene: ADORA1
UniProt: P30542 (AA1R_HUMAN)
Organism: Homo sapiens
Activity: Ki = 9.22
Action type: ANTAGONIST
Assay: Binding affinity for adenosine A1 receptor by using as [3H]CPX iradioligand n membranes from Chinese hamster ovary cells
Drug: choline theophyllinate
Target: Adenosine receptor A2b (GPCR)
Gene: ADORA2B
UniProt: P29275 (AA2BR_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.57
Action type: ANTAGONIST
Assay: Displacement of [3H]DPCPX from human recombinant adenosine A2B receptor expressed in HEK293 cell membrane
Drug: choline theophyllinate
Target: Adenosine receptor A3 (GPCR)
Gene: ADORA3
UniProt: P0DMS8 (AA3R_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.85
Action type: ANTAGONIST
Assay: Binding affinity for adenosine A3 receptor by displacement of specific binding of [125I]AB-MECA in membranes from CHO-A3 cells
Drug: choline theophyllinate
Target: Alkaline phosphatase, tissue-nonspecific isozyme (Enzyme)
Gene: ALPL
UniProt: P05186 (PPBT_HUMAN)
Organism: Homo sapiens
Activity: Ki = 4.09
Assay: Inhibition of TNSALP
Drug: choline theophyllinate
Target: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Kinase)
Gene: PIK3CD
UniProt: O00329 (PK3CD_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.12
Assay: Inhibition of PI3Kdelta (unknown origin)
Drug: choline theophyllinate
Target: Adenosine receptor A1 (GPCR)
Gene: Adora1
UniProt: P25099 (AA1R_RAT)
Organism: Rattus norvegicus
Activity: Ki = 6.15
Assay: Inhibition of [3H]-CHA binding to rat brain membrane Adenosine A1 receptor
Drug: choline theophyllinate
Target: Adenosine receptor A2a (GPCR)
Gene: Adora2a
UniProt: P30543 (AA2AR_RAT)
Organism: Rattus norvegicus
Activity: Ki = 5.17
Assay: Binding affinity at rat Adenosine A2A receptor by [3H]-CGS- 21680 displacement.
Drug: choline theophyllinate
Target: Uncharacterized protein (Enzyme)
Gene: PDE3B
UniProt: E1BN64 (E1BN64_BOVIN)
Organism: Bos taurus
Activity: Ki = 4.11
Assay: Inhibition of bovine heart phosphodiesterase
Drug: choline theophyllinate
Target: Adenosine receptor A3 (GPCR)
Gene: Adora3
UniProt: P28647 (AA3R_RAT)
Organism: Rattus norvegicus
Activity: Ki = 4.07
Assay: Binding affinity to rat adenosine A3 receptor
Drug: choline theophyllinate
Target: Adenosine receptor A1 (GPCR)
Gene: ADORA1
UniProt: P28190 (AA1R_BOVIN)
Organism: Bos taurus
Activity: Ki = 5.42
Assay: Binding affinity towards adenosine A1 receptor of bovine brain membrane using [3H]-CHA at 20 uM
Drug: choline theophyllinate
Target: Adenosine receptor A1 (GPCR)
Gene: ADORA1
UniProt: P47745 (AA1R_CAVPO)
Organism: Cavia porcellus
Activity: Ki = 5.01
Assay: Affinity against adenosine A1 receptor in the brain membranes by the displacement of [3H]CPX.
Drug: choline theophyllinate
Target: Adenosine A2 receptor (GPCR)
Gene: Adora2b|Adora2a
UniProt: P29276|P30543 (AA2BR_RAT|AA2AR_RAT)
Organism: Rattus norvegicus
Activity: Ki = 5.88
Assay: Binding of Adenosine A2 receptor in whole rat brain membrane using [3H]CHA as a Radioligand
Drug: choline theophyllinate
Target: Phosphodiesterase 3 (Enzyme)
Gene: PDE3B|PDE3A
UniProt: Q13370|Q14432 (PDE3B_HUMAN|PDE3A_HUMAN)
Organism: Homo sapiens
Action type: INHIBITOR
Assay: Mechanism of Action; CHEMBL2094125; PROTEIN FAMILY