AIM-Harvard/TrialPanorama-filtered huggingface dataset:
Drug: ibrutinib
Target: Receptor tyrosine-protein kinase erbB-2 (Kinase)
Gene: ERBB2
UniProt: P04626 (ERBB2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8.194
Action type: INHIBITOR
Drug: ibrutinib
Target: Tyrosine-protein kinase HCK (Kinase)
Gene: HCK
UniProt: P08631 (HCK_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.538
Action type: INHIBITOR
Drug: ibrutinib
Target: Receptor tyrosine-protein kinase erbB-4 (Kinase)
Gene: ERBB4
UniProt: Q15303 (ERBB4_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8.469
Action type: INHIBITOR
Drug: ibrutinib
Target: Tyrosine-protein kinase Fgr (Kinase)
Gene: FGR
UniProt: P09769 (FGR_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8.481
Action type: INHIBITOR
Drug: ibrutinib
Target: Tyrosine-protein kinase ITK/TSK (Kinase)
Gene: ITK
UniProt: Q08881 (ITK_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8.31
Action type: INHIBITOR
Drug: ibrutinib
Target: Tyrosine-protein kinase Tec (Kinase)
Gene: TEC
UniProt: P42680 (TEC_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8.155
Action type: INHIBITOR
Drug: ibrutinib
Target: Tyrosine-protein kinase TXK (Kinase)
Gene: TXK
UniProt: P42681 (TXK_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8.699
Action type: INHIBITOR
Drug: ibrutinib
Target: Tyrosine-protein kinase Blk (Kinase)
Gene: BLK
UniProt: P51451 (BLK_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 10
Action type: INHIBITOR
Drug: ibrutinib
Target: Tyrosine-protein kinase BTK (Kinase)
Gene: BTK
UniProt: Q06187 (BTK_HUMAN)
Organism: Homo sapiens
Activity: Ki = 9.143
Action type: INHIBITOR
Assay: measured in anti-IgM stimulated Ramos human B cell line
Drug: sofosbuvir
Target: NS5B protein (Enzyme)
Gene: NS5B
UniProt: Q8JXU8 (Q8JXU8_9HEPC)
Organism: Hepatitis C virus
Activity: EC50 = 7.19
Action type: INHIBITOR
Assay: Inhibition of Hepatitis C virus genotype 1b NS5B RNA-dependent-RNA polymerase assessed as reduction in viral replication after 72 hrs by indirect immunofluorescence assay
Drug: sofosbuvir
Target: Genome polyprotein (Polyprotein)
UniProt: P27958 (POLG_HCVH)
Organism: Hepatitis C virus genotype 1a (isolate H)
Activity: EC90 = 6.959
Action type: INHIBITOR
Assay: ET-lunet cells; S96T mutant
Drug: simeprevir
Target: Cathepsin S (Enzyme)
Gene: CTSS
UniProt: P25774 (CATS_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.1
Assay: Inhibition of human cathepsin S in human JY cells assessed as p10 accumulation by fluorescence-based assay
Drug: simeprevir
Target: Hepatitis C virus serine protease, NS3/NS4A (Enzyme)
Gene: NS3|NS4A
UniProt: A3EZI9|D2K2A8 (A3EZI9_9HEPC|D2K2A8_9HEPC)
Organism: Hepatitis C virus
Activity: Ki = 9.3
Action type: INHIBITOR
Assay: BindingDB_Patents: Inhibition Assay. The inhibition of full-length hepatitis C NS3 protease enzyme was measured essentially as described in Poliakov, 2002 Prot Expression & Purification 25 363 371. Briefly, the hydrolysis of a depsipeptide substrate, Ac-DED(Edans)EEAbu[COO]ASK(Dabcyl)-NH2 (AnaSpec, San Jose, USA), was measured spectrofluorometrically in the presence of a peptide cofactor, KKGSVVIVGRIVLSGK (Ake Engstrom, Department of Medical Biochemistry and Microbiology, Uppsala University, Sweden). [Landro, 1997 #Biochem 36 9340-9348]. The enzyme (1 nM) was incubated in 50 mM HEPES, pH 7.5, 10 mM DTT, 40% glycerol, 0.1% n-octyl-D-glucoside, with 25 µM NS4A cofactor and inhibitor at 30 C. for 10 min, whereupon the reaction was initiated by addition of 0.5 µM substrate. Inhibitors were dissolved in DMSO, sonicated for 30 sec. and vortexed.
Drug: simeprevir
Target: Nonstructural protein NS3-4A (Unclassified)
UniProt: A0A0K1CY61 (A0A0K1CY61_9HEPC)
Organism: Hepatitis C virus
Activity: Ki = 9.44
Drug: simeprevir
Target: Polyprotein (Polyprotein)
UniProt: Q6GYR8 (Q6GYR8_9HEPC)
Organism: Hepacivirus C
Activity: Ki = 9.44
Action type: INHIBITOR
Drug: simeprevir
Target: Genome polyprotein (Polyprotein)
UniProt: P27958 (POLG_HCVH)
Organism: Hepatitis C virus genotype 1a (isolate H)
Activity: Ki = 9.444
Action type: INHIBITOR
Assay: inhibition of the full-length HCV NS3/4A protease
Drug: luliconazole
Target: Lanosterol 14-alpha demethylase (Enzyme)
Gene: ERG11
UniProt: P10613 (CP51_CANAL)
Organism: Candida albicans (strain SC5314 / ATCC MYA-2876)
Action type: INHIBITOR
Assay: Mechanism of Action; CHEMBL1780; SINGLE PROTEIN
Drug: olodaterol
Target: Beta-1 adrenergic receptor (GPCR)
Gene: ADRB1
UniProt: P08588 (ADRB1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.33
Assay: competitive binding experiments against [3H]CGP 12177 in the presence of 5'-guanylyl-imidodiphosphate
Drug: olodaterol
Target: Beta-3 adrenergic receptor (GPCR)
Gene: ADRB3
UniProt: P13945 (ADRB3_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.26
Assay: competitive binding experiments against [3H]CGP 12177 in the presence of 5'-guanylyl-imidodiphosphate
Drug: olodaterol
Target: Beta-2 adrenergic receptor (GPCR)
Gene: ADRB2
UniProt: P07550 (ADRB2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 9.14
Action type: ANTAGONIST
Assay: competitive binding experiments against [3H]CGP 12177 in the presence of 5'-guanylyl-imidodiphosphate
Drug: lixisenatide
Target: Glucagon-like peptide 1 receptor (GPCR)
Gene: GLP1R
UniProt: P43220 (GLP1R_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8.845
Action type: AGONIST
Assay: CHO cells transfected with the human GLP-1 receptor binding affinity
Drug: umeclidinium
Target: Muscarinic acetylcholine receptor M4 (GPCR)
Gene: CHRM4
UniProt: P08173 (ACM4_HUMAN)
Organism: Homo sapiens
Activity: Ki = 10.3
Action type: ANTAGONIST
Drug: umeclidinium
Target: Muscarinic acetylcholine receptor M5 (GPCR)
Gene: CHRM5
UniProt: P08912 (ACM5_HUMAN)
Organism: Homo sapiens
Activity: Ki = 9.9
Action type: ANTAGONIST
Drug: umeclidinium
Target: Muscarinic acetylcholine receptor M1 (GPCR)
Gene: CHRM1
UniProt: P11229 (ACM1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 9.796
Assay: radioligand binding assays in CHO cells expressing human M1, M2, or M3 receptors in a scintillation proximity assay with 0.5 nM [3H]-N-methyl scopolamine as the ligand
Drug: umeclidinium
Target: Muscarinic acetylcholine receptor M2 (GPCR)
Gene: CHRM2
UniProt: P08172 (ACM2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 9.824
Assay: radioligand binding assays in CHO cells expressing human M1, M2, or M3 receptors in a scintillation proximity assay with 0.5 nM [3H]-N-methyl scopolamine as the ligand
Drug: umeclidinium
Target: Muscarinic acetylcholine receptor M3 (GPCR)
Gene: CHRM3
UniProt: P20309 (ACM3_HUMAN)
Organism: Homo sapiens
Activity: Ki = 10.222
Action type: ANTAGONIST
Assay: radioligand binding assays in CHO cells expressing human M1, M2, or M3 receptors in a scintillation proximity assay with 0.5 nM [3H]-N-methyl scopolamine as the ligand
Drug: rifamycin
Target: Bile salt export pump (Transporter)
Gene: ABCB11
UniProt: O95342 (ABCBB_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.2
Drug: rifamycin
Target: Solute carrier organic anion transporter family member 1B1 (Transporter)
Gene: SLCO1B1
UniProt: Q9Y6L6 (SO1B1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.7
Action type: INHIBITOR
Drug: rifamycin
Target: Solute carrier organic anion transporter family member 1A2 (Transporter)
Gene: SLCO1A2
UniProt: P46721 (SO1A2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 4.96
Action type: INHIBITOR
Drug: rifamycin
Target: Bile salt export pump (Transporter)
Gene: Abcb11
UniProt: O70127 (ABCBB_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 5.51
Drug: rifamycin
Target: DNA-directed RNA polymerase subunit beta (Enzyme)
Gene: rpoB
UniProt: P0A8V2 (RPOB_ECOLI)
Organism: Escherichia coli (strain K12)
Action type: INHIBITOR
Drug: florbetaben F18
Target: Amyloid beta A4 protein (Unclassified)
Gene: APP
UniProt: P05067 (A4_HUMAN)
Organism: Homo sapiens
Activity: Ki = 8.65
Drug: tasimelteon
Target: Melatonin receptor type 1A (GPCR)
Gene: MTNR1A
UniProt: P48039 (MTR1A_HUMAN)
Organism: Homo sapiens
Activity: Ki = 9.45
Action type: AGONIST
Drug: tasimelteon
Target: Melatonin receptor type 1B (GPCR)
Gene: MTNR1B
UniProt: P49286 (MTR1B_HUMAN)
Organism: Homo sapiens
Activity: Ki = 9.8
Action type: AGONIST
Drug: seractide
Target: Adrenocorticotropic hormone receptor (GPCR)
Gene: MC2R
UniProt: Q01718 (ACTHR_HUMAN)
Organism: Homo sapiens
Activity: Ki = 8.009
Action type: AGONIST
Assay: 125I-ACTH binding in OS3 cells expressing hMC2R wild type
Drug: laninamivir octanoate hydrate
Target: Neuraminidase (Enzyme)
UniProt: B4URF0 (B4URF0_9INFA)
Organism: Influenza A virus (A/WSN/1933(H1N1))
Activity: IC50 = 8.89
Assay: Inhibition of Influenza A virus (A/Yamagata/83/2006(H1N1)) neuraminidase after 30 mins by fluorescence analysis
Drug: laninamivir octanoate hydrate
Target: Neuraminidase (Enzyme)
UniProt: Q194T1 (Q194T1_9INFA)
Organism: Influenza A virus (A/RI/5+/1957(H2N2))
Activity: IC50 = 5.51
Assay: Inhibition of Influenza A virus (A/RI/5+/1957(H2N2)) recombinant neuraminidase using MUNANA as substrate after 30 mins
Drug: peramivir
Target: Neuraminidase (Enzyme)
UniProt: B4URF0 (B4URF0_9INFA)
Organism: Influenza A virus (A/WSN/1933(H1N1))
Activity: IC50 = 10.15
Assay: Inhibition of oseltamivir-resistant Influenza A virus A/WSN/1933(H1N1) recombinant wild type neuraminidase transfected in HEK293 cells using MUNANA as substrate assessed as release of 4-methylumbelliferone preincubated for 10 mins followed by substrate addition measured after 15 mins by fluorometric assay
Drug: peramivir
Target: Sialidase (Enzyme)
Gene: nanH
UniProt: P10481 (NANH_CLOPF)
Organism: Clostridium perfringens
Activity: IC50 = 4.4
Assay: Inhibition of Clostridium perfringenes neuraminidase activity using 4-methylumbelliferyl-1-alpha-D-N-acetylneuramic acid sodium salt hydrate as substrate by fluorescence based assay
Drug: peramivir
Target: Neuraminidase (Enzyme)
UniProt: A5Z252 (A5Z252_9INFA)
Organism: Influenza A virus (A/Turkey/651242/2006(H5N1))
Activity: IC50 = 9.52
Assay: Inhibition of Influenza A virus (A/Vietnam/1194/2004 (H5N1)) recombinant neuraminidase expressed in HEK293 cells pre-incubated for 10 mins before 4-MUNANA substrate addition by fluorometry
Drug: peramivir
Target: Neuraminidase (Enzyme)
UniProt: P03470 (NRAM_I33A0)
Organism: Influenza A virus (strain A/Wilson-Smith/1933 H1N1)
Activity: IC50 = 9.4
Assay: Inhibition of Influenza A virus (A/WSN/1933(H1N1)) recombinant neuraminidase expressed in HEK293 cells pre-incubated for 10 mins before 4-MUNANA substrate addition by fluorometry
Drug: peramivir
Target: Sialidase 2 (Enzyme)
Gene: NEU2
UniProt: Q9Y3R4 (NEUR2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 4.25
Assay: Inhibition of MBP-fused recombinant human neuraminidase 2 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrate addition measured every 1 min for 30 mins by fluorescence analysis
Drug: peramivir
Target: Neuraminidase (Enzyme)
UniProt: D5F1R0 (D5F1R0_9INFA)
Organism: Influenza A virus
Activity: IC50 = 7.03
Assay: Inhibition of Influenza A virus (A/Shanghai/01/2014(H7N9)) recombinant neuraminidase R292K mutant expressed in HEK293 cells pre-incubated for 10 mins before 4-MUNANA substrate addition by fluorometry
Drug: peramivir
Target: Neuraminidase (Enzyme)
UniProt: P03471 (NRAM_I71A1)
Organism: Influenza A virus
Activity: IC50 = 8.7
Assay: Inhibition of Influenza A virus (A/Brisbane/10/2007(H3N2)) recombinant neuraminidase expressed in HEK293 cells pre-incubated for 10 mins before 4-MUNANA substrate addition by fluorometry
Drug: peramivir
Target: Neuraminidase (Enzyme)
UniProt: P03468 (NRAM_I34A1)
Organism: Influenza A virus (strain A/Puerto Rico/8/1934 H1N1)
Activity: IC50 = 8.85
Action type: INHIBITOR
Assay: inhibitory concentration required to inhibit neuraminidase enzyme from different strains of influenza A virus
Drug: peramivir
Target: Neuraminidase (Enzyme)
UniProt: P03474 (NRAM_INBLE)
Organism: Influenza B virus (strain B/Lee/1940)
Activity: IC50 = 8.3
Action type: INHIBITOR
Assay: Inhibitory activity against influenza B neuraminidase
Drug: peramivir
Target: Neuraminidase (Enzyme)
UniProt: Q9IGQ6 (NRAM_I18A0)
Organism: Influenza A virus (strain A/Brevig Mission/1/1918 H1N1)
Activity: Ki = 9.08
Action type: INHIBITOR
Assay: Inhibition of Influenza A virus (A/Brevig Mission/1/1918(H1N1)) recombinant soluble neuraminidase using 2'-4(methylumbelliferyl)-alpha-D-N-acetylneuraminic acid substrate by fluorimetric assay
Drug: etilefrine pivalate
Target: Beta-1 adrenergic receptor (GPCR)
Gene: ADRB1
UniProt: P08588 (ADRB1_HUMAN)
Organism: Homo sapiens
Action type: AGONIST
Assay: Mechanism of Action
Drug: metreleptin
Target: Leptin receptor (Membrane receptor)
Gene: LEPR
UniProt: P48357 (LEPR_HUMAN)
Organism: Homo sapiens
Action type: AGONIST
Assay: Mechanism of Action
Drug: apremilast
Target: cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Enzyme)
Gene: PDE4B
UniProt: Q07343 (PDE4B_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.57
Action type: INHIBITOR
Assay: Potency against recombinant human PDE4B1 and B2 isoforms in a TR-FRET assay.
Drug: apremilast
Target: cAMP-specific 3',5'-cyclic phosphodiesterase 4A (Enzyme)
Gene: PDE4A
UniProt: P27815 (PDE4A_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.85
Action type: INHIBITOR
Assay: Potency against recombinant human PDE4A1A isoform in a TR-FRET assay.
Drug: apremilast
Target: cAMP-specific 3',5'-cyclic phosphodiesterase 4C (Enzyme)
Gene: PDE4C
UniProt: Q08493 (PDE4C_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.93
Action type: INHIBITOR
Assay: Potency against recombinant human PDE4C1 isoform in a TR-FRET assay.
Drug: apremilast
Target: cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Enzyme)
Gene: PDE4D
UniProt: Q08499 (PDE4D_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.131
Action type: INHIBITOR
Assay: PDE4 enzyme isolated from U937 cells
Drug: empagliflozin
Target: Sodium/glucose cotransporter 4 (Transporter)
Gene: SLC5A9
UniProt: Q2M3M2 (SC5A9_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.959
Assay: uptake of [14C] alpha-methyl glucopyranoside
Drug: empagliflozin
Target: Sodium/glucose cotransporter 5 (Transporter)
Gene: SLC5A10
UniProt: A0PJK1 (SC5AA_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.959
Assay: uptake of [14C] mannose
Drug: empagliflozin
Target: Sodium/glucose cotransporter 1 (Transporter)
Gene: SLC5A1
UniProt: P13866 (SC5A1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.081
Assay: uptake of [14C] alpha-methyl glucopyranoside
Drug: empagliflozin
Target: Sodium/myo-inositol cotransporter 2 (Transporter)
Gene: SLC5A11
UniProt: Q8WWX8 (SC5AB_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.699
Assay: uptake of [14C] myo-inositol
Drug: empagliflozin
Target: Sodium/glucose cotransporter 2 (Transporter)
Gene: SLC5A2
UniProt: P31639 (SC5A2_HUMAN)
Organism: Homo sapiens
Activity: Kd = 7.244
Action type: INHIBITOR
Assay: [3H]-empagliflozin kinetic binding experiment
Drug: naloxegol
Target: Mu-type opioid receptor (GPCR)
Gene: OPRM1
UniProt: P35372 (OPRM_HUMAN)
Organism: Homo sapiens
Action type: ANTAGONIST
Assay: Mechanism of Action
Drug: gemigliptin
Target: Dipeptidyl peptidase 9 (Enzyme)
Gene: DPP9
UniProt: Q86TI2 (DPP9_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.328
Assay: fluorometric assay with Gly-Pro-AMC substrate
Drug: gemigliptin
Target: Dipeptidyl peptidase 4 (Enzyme)
Gene: DPP4
UniProt: P27487 (DPP4_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.796
Action type: INHIBITOR
Assay: fluorometric assay with Gly-Pro-AMC substrate
Drug: eliglustat
Target: Ceramide glucosyltransferase (Enzyme)
Gene: UGCG
UniProt: Q16739 (CEGT_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.827
Action type: INHIBITOR
Assay: inhibition of GlcCer synthesis in disrupted wild-type MDCK cell preparations
Drug: afamelanotide
Target: Adenosine deaminase (Enzyme)
Gene: ADA
UniProt: P00813 (ADA_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.8
Assay: Inhibition of human adenosine deaminase (ADA)
Drug: afamelanotide
Target: Melanocortin receptor 4 (GPCR)
Gene: MC4R
UniProt: P32245 (MC4R_HUMAN)
Organism: Homo sapiens
Activity: Ki = 8.8
Action type: AGONIST
Drug: afamelanotide
Target: Melanocortin receptor 5 (GPCR)
Gene: MC5R
UniProt: P33032 (MC5R_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 9
Action type: AGONIST
Drug: afamelanotide
Target: Melanocortin receptor 3 (GPCR)
Gene: MC3R
UniProt: P41968 (MC3R_HUMAN)
Organism: Homo sapiens
Activity: Ki = 8.9
Action type: AGONIST
Drug: afamelanotide
Target: Melanocortin receptor 3 (GPCR)
Gene: Mc3r
UniProt: P33033 (MC3R_MOUSE)
Organism: Mus musculus
Activity: EC50 = 10.15
Assay: Agonist activity at mouse melanocortin receptor 3 expressed in HEK293 cells assessed as stimulation of cAMP accumulation incubated for 2 hrs by cAMP Alpha-screen assay
Drug: afamelanotide
Target: Melanocortin receptor 5 (GPCR)
Gene: Mc5r
UniProt: P41149 (MC5R_MOUSE)
Organism: Mus musculus
Activity: EC50 = 10.15
Assay: In vitro activation of mouse recombinant Melanocortin-5 receptor.
Drug: afamelanotide
Target: Melanocortin receptor 4 (GPCR)
Gene: Mc4r
UniProt: P56450 (MC4R_MOUSE)
Organism: Mus musculus
Activity: EC50 = 9.92
Assay: Agonist activity at mouse melanocortin-4 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assessed as stimulatory response after 6 hrs
Drug: afamelanotide
Target: Melanocyte-stimulating hormone receptor (GPCR)
Gene: Mc1r
UniProt: Q01727 (MSHR_MOUSE)
Organism: Mus musculus
Activity: EC50 = 11
Assay: Agonist activity at mouse melanocortin receptor 1 expressed in HEK293 cells assessed as stimulation of cAMP accumulation incubated for 2 hrs by cAMP Alpha-screen assay
Drug: afamelanotide
Target: Melanocyte-stimulating hormone receptor (GPCR)
Gene: MC1R
UniProt: Q01726 (MSHR_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 10
Action type: AGONIST
Drug: aprotinin
Target: Plasminogen (Enzyme)
Gene: PLG
UniProt: P00747 (PLMN_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.8
Action type: INHIBITOR
Drug: aprotinin
Target: Plasma kallikrein (Enzyme)
Gene: KLKB1
UniProt: P03952 (KLKB1_HUMAN)
Organism: Homo sapiens
Action type: INHIBITOR
Assay: Mechanism of Action; CHEMBL2000; SINGLE PROTEIN
Drug: ecallantide
Target: Plasma kallikrein (Enzyme)
Gene: KLKB1
UniProt: P03952 (KLKB1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 10.602
Action type: INHIBITOR
Assay: Mechanism of Action
Drug: somatropin
Target: Growth hormone receptor (GPCR)
Gene: GHR
UniProt: P10912 (GHR_HUMAN)
Organism: Homo sapiens
Action type: AGONIST
Assay: Mechanism of Action
Drug: cridanimod
Target: Trypsin (Enzyme)
UniProt: P00761 (TRYP_PIG)
Organism: Sus scrofa
Activity: AC50 = 5.15
Assay: Active
Drug: cridanimod
Target: Stimulator of interferon genes protein (Unclassified)
Gene: Tmem173
UniProt: Q3TBT3 (STING_MOUSE)
Organism: Mus musculus
Activity: Kd = 5.48
Assay: Binding affinity to mouse STING by ITC assay
Drug: conjugated estrogens
Target: Estrogen receptor (Nuclear hormone receptor)
Gene: ESR1
UniProt: P03372 (ESR1_HUMAN)
Organism: Homo sapiens
Action type: AGONIST
Assay: Mechanism of Action
Drug: conjugated estrogens
Target: Estrogen receptor beta (Nuclear hormone receptor)
Gene: ESR2
UniProt: Q92731 (ESR2_HUMAN)
Organism: Homo sapiens
Action type: AGONIST
Assay: Mechanism of Action
Drug: estrone sulphate
Target: Steryl-sulfatase (Enzyme)
Gene: STS
UniProt: P08842 (STS_HUMAN)
Organism: Homo sapiens
Activity: Ki = 4.22
Assay: Inhibitory activity against steroid sulfatase (STS) desulfation of 4-MUS
Drug: estrone sulphate
Target: Solute carrier family 22 member 20 (Transporter)
Gene: Slc22a20
UniProt: Q80UJ1 (S22AK_MOUSE)
Organism: Mus musculus
Activity: Ki = 4.24
Assay: Inhibition of mouse Oat6-mediated [3H]ES uptake in Xenopus oocytes after 1 hr
Drug: estrone sulphate
Target: Estrogen receptor (Nuclear hormone receptor)
Gene: ESR1
UniProt: P03372 (ESR1_HUMAN)
Organism: Homo sapiens
Action type: AGONIST
Assay: Mechanism of Action
Drug: estrone sulphate
Target: Estrogen receptor beta (Nuclear hormone receptor)
Gene: ESR2
UniProt: Q92731 (ESR2_HUMAN)
Organism: Homo sapiens
Action type: AGONIST
Assay: Mechanism of Action
Drug: corticorelin
Target: Corticotropin-releasing factor receptor 2 (GPCR)
Gene: Crhr2
UniProt: Q60748 (CRFR2_MOUSE)
Organism: Mus musculus
Activity: Ki = 7.8
Action type: AGONIST
Drug: corticorelin
Target: Corticotropin-releasing factor receptor 2 (GPCR)
Gene: Crhr2
UniProt: P47866 (CRFR2_RAT)
Organism: Rattus norvegicus
Activity: Kd = 7.9
Action type: AGONIST
Drug: corticorelin
Target: Corticotropin-releasing factor receptor 2 (GPCR)
Gene: CRHR2
UniProt: Q13324 (CRFR2_HUMAN)
Organism: Homo sapiens
Activity: Kd = 7.4
Action type: AGONIST
Drug: corticorelin
Target: Corticotropin-releasing factor receptor 1 (GPCR)
Gene: CRHR1
UniProt: P34998 (CRFR1_HUMAN)
Organism: Homo sapiens
Activity: Kd = 8.481
Action type: AGONIST
Assay: COS cells binding human CRF
Drug: phenibut
Target: GABA-B receptor (GPCR)
Gene: GABBR2|GABBR1
UniProt: O75899|Q9UBS5 (GABR2_HUMAN|GABR1_HUMAN)
Organism: Homo sapiens
Action type: AGONIST
Assay: Mechanism of Action
Drug: levomilnacipran
Target: Sodium-dependent dopamine transporter (Transporter)
Gene: SLC6A3
UniProt: Q01959 (SC6A3_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.49
Assay: Inhibition of human DAT
Drug: levomilnacipran
Target: Sodium-dependent serotonin transporter (Transporter)
Gene: Slc6a4
UniProt: P31652 (SC6A4_RAT)
Organism: Rattus norvegicus
Activity: Ki = 8.07
Assay: Inhibition of [3H]-paroxetine binding on serotonin transporter of rat cerebral cortical synaptic membrane
Drug: levomilnacipran
Target: Glutamate NMDA receptor (Ion channel)
Gene: Grin1|Grin2a|Grin2b|Grin2c|Grin2d|Grin3b|Grin3a
UniProt: P35439|Q00959|Q00960|Q00961|Q62645|Q8VHN2|Q9R1M7 (NMDZ1_RAT|NMDE1_RAT|NMDE2_RAT|NMDE3_RAT|NMDE4_RAT|NMD3B_RAT|NMD3A_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 5.2
Assay: Binding affinity for N-methyl-D-aspartate glutamate receptor of cerebral cortical synaptic membranes from rats using [3H]MK-801 as radioligand
Drug: levomilnacipran
Target: Sodium-dependent serotonin transporter (Transporter)
Gene: SLC6A4
UniProt: P31645 (SC6A4_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.951
Action type: INHIBITOR
Assay: radioligand binding in HEK-293 cells
Drug: levomilnacipran
Target: Sodium-dependent noradrenaline transporter (Transporter)
Gene: SLC6A2
UniProt: P23975 (SC6A2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.035
Action type: INHIBITOR
Assay: radioligand binding in HEK-293 cells
Drug: mebanazine
Target: Amine oxidase [flavin-containing] B (Enzyme)
Gene: MAOB
UniProt: P27338 (AOFB_HUMAN)
Organism: Homo sapiens
Action type: INHIBITOR
Assay: Mechanism of Action
Drug: mebanazine
Target: Amine oxidase [flavin-containing] A (Enzyme)
Gene: MAOA
UniProt: P21397 (AOFA_HUMAN)
Organism: Homo sapiens
Action type: INHIBITOR
Assay: Mechanism of Action
Drug: ceritinib
Target: Tyrosine-protein kinase JAK3 (Kinase)
Gene: JAK3
UniProt: P52333 (JAK3_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.1
Assay: Inhibition of JAK3 (unknown origin) after 60 mins
Drug: ceritinib
Target: Potassium voltage-gated channel subfamily H member 2 (Ion channel)
Gene: KCNH2
UniProt: Q12809 (KCNH2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.9
Assay: Inhibition of human ERG by dofetilide binding assay
Drug: ceritinib
Target: Multidrug resistance protein 1 (Transporter)
Gene: ABCB1
UniProt: P08183 (MDR1_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 7.05
Assay: Inhibition of ABCB1 in human A2780/ADR cells assessed as potentiation of daunorubicin-induced cytotoxicity measured after 72 hrs by MTT assay
Drug: ceritinib
Target: Tyrosine-protein kinase ABL1 (Kinase)
Gene: ABL1
UniProt: P00519 (ABL1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.9
Assay: Inhibition of ABL (unknown origin) after 60 mins
Drug: ceritinib
Target: Mast/stem cell growth factor receptor Kit (Kinase)
Gene: KIT
UniProt: P10721 (KIT_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.89
Assay: Inhibition of cKIT (unknown origin) after 60 mins
Drug: ceritinib
Target: Epidermal growth factor receptor (Kinase)
Gene: EGFR
UniProt: P00533 (EGFR_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.05
Assay: Inhibition of EGFR (unknown origin) after 60 mins
Drug: ceritinib
Target: Proto-oncogene tyrosine-protein kinase Src (Kinase)
Gene: SRC
UniProt: P12931 (SRC_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.77
Assay: Inhibition of TEL-fused SRC (unknown origin) by cell-based assay
Drug: ceritinib
Target: Tyrosine-protein kinase Lck (Kinase)
Gene: LCK
UniProt: P06239 (LCK_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.25
Assay: Inhibition of LCK (unknown origin) after 60 mins