AIM-Harvard/TrialPanorama-filtered huggingface dataset:
Drug: paliperidone
Target: Prostaglandin E2 receptor EP3 subtype (GPCR)
Gene: PTGER3
UniProt: P43115 (PE2R3_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5
Drug: paliperidone
Target: D(2) dopamine receptor (GPCR)
Gene: DRD2
UniProt: P14416 (DRD2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 8.47
Action type: ANTAGONIST
Drug: paliperidone
Target: 5-hydroxytryptamine receptor 2A (GPCR)
Gene: HTR2A
UniProt: P28223 (5HT2A_HUMAN)
Organism: Homo sapiens
Activity: Ki = 8.959
Action type: ANTAGONIST
Drug: gentian violet
Target: Mu-type opioid receptor (GPCR)
Gene: OPRM1
UniProt: P35372 (OPRM_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.06
Assay: DRUGMATRIX: Opiate mu (OP3, MOP) radioligand binding (ligand: [3H] Diprenorphine)
Drug: gentian violet
Target: D(1A) dopamine receptor (GPCR)
Gene: DRD1
UniProt: P21728 (DRD1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.809
Assay: DRUGMATRIX: Dopamine D1 radioligand binding (ligand: [3H] SCH-23390)
Drug: gentian violet
Target: D(2) dopamine receptor (GPCR)
Gene: DRD2
UniProt: P14416 (DRD2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.975
Assay: DRUGMATRIX: Dopamine D2L radioligand binding (ligand: [3H] Spiperone)
Drug: gentian violet
Target: Adenosine receptor A2a (GPCR)
Gene: ADORA2A
UniProt: P29274 (AA2AR_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.724
Assay: DRUGMATRIX: Adenosine A2A radioligand binding (ligand: AB-MECA)
Drug: gentian violet
Target: Alpha-2A adrenergic receptor (GPCR)
Gene: ADRA2A
UniProt: P08913 (ADA2A_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.697
Assay: DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)
Drug: gentian violet
Target: Cytochrome P450 3A4 (Enzyme)
Gene: CYP3A4
UniProt: P08684 (CP3A4_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.44
Assay: DRUGMATRIX: CYP450, 3A4 enzyme inhibition (substrate: 7-Benzyloxy-4-(trifluoromethyl)-coumarin)
Drug: gentian violet
Target: 5-hydroxytryptamine receptor 2A (GPCR)
Gene: HTR2A
UniProt: P28223 (5HT2A_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.124
Assay: DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin)
Drug: gentian violet
Target: Alpha-2B adrenergic receptor (GPCR)
Gene: ADRA2B
UniProt: P18089 (ADA2B_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.241
Assay: DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)
Drug: gentian violet
Target: D(3) dopamine receptor (GPCR)
Gene: DRD3
UniProt: P35462 (DRD3_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.55
Assay: DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)
Drug: gentian violet
Target: Histamine H2 receptor (GPCR)
Gene: HRH2
UniProt: P25021 (HRH2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.945
Assay: DRUGMATRIX: Histamine H2 radioligand binding (ligand: [125I] Aminopotentidine)
Drug: gentian violet
Target: Muscarinic acetylcholine receptor M1 (GPCR)
Gene: CHRM1
UniProt: P11229 (ACM1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.578
Assay: DRUGMATRIX: Muscarinic M1 radioligand binding (ligand: [3H] N-Methylscopolamine)
Drug: gentian violet
Target: Muscarinic acetylcholine receptor M2 (GPCR)
Gene: CHRM2
UniProt: P08172 (ACM2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.294
Assay: DRUGMATRIX: Muscarinic M2 radioligand binding (ligand: [3H] N-Methylscopolamine)
Drug: gentian violet
Target: Muscarinic acetylcholine receptor M3 (GPCR)
Gene: CHRM3
UniProt: P20309 (ACM3_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.037
Assay: DRUGMATRIX: Muscarinic M3 radioligand binding (ligand: [3H] N-Methylscopolamine)
Drug: gentian violet
Target: Muscarinic acetylcholine receptor M4 (GPCR)
Gene: CHRM4
UniProt: P08173 (ACM4_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.854
Assay: DRUGMATRIX: Muscarinic M4 radioligand binding (ligand: [3H] N-Methylscopolamine)
Drug: gentian violet
Target: Muscarinic acetylcholine receptor M5 (GPCR)
Gene: CHRM5
UniProt: P08912 (ACM5_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.416
Assay: DRUGMATRIX: Muscarinic M5 radioligand binding (ligand: [3H] N-Methylscopolamine)
Drug: gentian violet
Target: Alpha-2C adrenergic receptor (GPCR)
Gene: ADRA2C
UniProt: P18825 (ADA2C_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.562
Assay: DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912)
Drug: gentian violet
Target: Sodium-dependent dopamine transporter (Transporter)
Gene: SLC6A3
UniProt: Q01959 (SC6A3_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.49
Assay: DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)
Drug: gentian violet
Target: Cytochrome P450 2D6 (Enzyme)
Gene: CYP2D6
UniProt: P10635 (CP2D6_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.084
Assay: DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)
Drug: gentian violet
Target: Adenosine receptor A3 (GPCR)
Gene: ADORA3
UniProt: P0DMS8 (AA3R_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.628
Assay: DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA)
Drug: gentian violet
Target: Alpha-1D adrenergic receptor (GPCR)
Gene: ADRA1D
UniProt: P25100 (ADA1D_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.012
Assay: DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)
Drug: gentian violet
Target: Kappa-type opioid receptor (GPCR)
Gene: OPRK1
UniProt: P41145 (OPRK_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.21
Assay: DRUGMATRIX: Opiate kappa (OP2, KOP) radioligand binding (ligand: [3H] Diprenorphine)
Drug: gentian violet
Target: Acetylcholinesterase (Enzyme)
Gene: ACHE
UniProt: P22303 (ACES_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.233
Assay: DRUGMATRIX: Acetylcholinesterase enzyme inhibition (substrate: acetylthiocholine)
Drug: gentian violet
Target: Epidermal growth factor receptor (Kinase)
Gene: EGFR
UniProt: P00533 (EGFR_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.325
Assay: DRUGMATRIX: Protein Tyrosine Kinase, EGF Receptor enzyme inhibition (substrate: Poly(Glu:Tyr))
Drug: gentian violet
Target: Tyrosine-protein kinase Fyn (Kinase)
Gene: FYN
UniProt: P06241 (FYN_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.668
Assay: DRUGMATRIX: Protein Tyrosine Kinase, Fyn enzyme inhibition (substrate: Poly(Glu:Tyr))
Drug: gentian violet
Target: Substance-K receptor (GPCR)
Gene: TACR2
UniProt: P21452 (NK2R_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.252
Assay: DRUGMATRIX: Tachykinin NK2  radioligand binding (ligand: [3H] SR-48968)
Drug: gentian violet
Target: Androgen receptor (Transcription factor)
Gene: Ar
UniProt: P15207 (ANDR_RAT)
Organism: Rattus norvegicus
Activity: Ki = 5.43
Assay: DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Mibolerone)
Drug: gentian violet
Target: Alpha-1B adrenergic receptor (GPCR)
Gene: Adra1b
UniProt: P15823 (ADA1B_RAT)
Organism: Rattus norvegicus
Activity: Ki = 5.701
Assay: DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)
Drug: udenafil
Target: Multidrug resistance protein 1 (Transporter)
Gene: ABCB1
UniProt: P08183 (MDR1_HUMAN)
Organism: Homo sapiens
Drug: udenafil
Target: cGMP-specific 3',5'-cyclic phosphodiesterase (Enzyme)
Gene: PDE5A
UniProt: O76074 (PDE5A_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8.084
Action type: INHIBITOR
Assay: PDE5 activity in human platelets
Drug: sulfadiazine silver
Target: Dihydropteroate synthase (Enzyme)
Gene: folP
UniProt: P0AC13 (DHPS_ECOLI)
Organism: Escherichia coli (strain K12)
Action type: INHIBITOR
Assay: Mechanism of Action; CHEMBL2364668; SINGLE PROTEIN
Drug: sulfadiazine silver
Target: Aurora kinase A (Kinase)
Gene: AURKA
UniProt: O14965 (AURKA_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.68
Assay: Inhibition of aurora kinase A
Drug: darunavir
Target: Multidrug resistance protein 1 (Transporter)
Gene: ABCB1
UniProt: P08183 (MDR1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.18
Assay: Inhibition of P-gp in human CMEC/D3 cells using calcein-AM as substrate after 30 mins by flow cytometric analysis
Drug: darunavir
Target: Gag-Pol polyprotein (Polyprotein)
Gene: gag-pol
UniProt: P03367 (POL_HV1BR)
Organism: Human immunodeficiency virus type 1 group M subtype B (isolate BRU/LAI)
Activity: Ki = 9.658
Drug: darunavir
Target: Pol polyprotein (Enzyme)
Gene: pol
UniProt: Q72874 (Q72874_9HIV1)
Organism: Human immunodeficiency virus 1
Activity: Ki = 10.85
Action type: INHIBITOR
Assay: Inhibition of HIV1 protease
Drug: darunavir
Target: Protease (Enzyme)
Gene: protease
UniProt: Q9YQ12 (Q9YQ12_9HIV1)
Organism: Human immunodeficiency virus 1
Activity: IC50 = 10.21
Drug: darunavir
Target: Protease (Unclassified)
Gene: HIV-1 protease
UniProt: O90781 (O90781_9PLVG)
Organism: Human immunodeficiency virus
Activity: Ki = 10.96
Assay: Inhibition of HIV1 recombinant protease D30N/N88D mutant expressed in Escherichia coli by spectrophotometric assay
Drug: darunavir
Target: Protease (Unclassified)
Gene: HIV-1 protease
UniProt: Q9YQ30 (Q9YQ30_9PLVG)
Organism: Human immunodeficiency virus
Activity: Ki = 10.82
Assay: Inhibition of HIV1 recombinant protease L10I/I15V/E35D/N37S/R41K/I62V/L63P/A71V/G73S/L90M mutant expressed in Escherichia coli by spectrophotometric assay
Drug: sodium lauryl sulfate
Target: Bifunctional epoxide hydrolase 2 (Enzyme)
Gene: EPHX2
UniProt: P34913 (HYES_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.26
Assay: Inhibition of phosphatase activity of full length human soluble epoxide hydrolase pre-incubated for 30 mins before FDP substrate addition by fluorescence based assay
Drug: testosterone propionate
Target: Androgen receptor (Nuclear hormone receptor)
Gene: AR
UniProt: P10275 (ANDR_HUMAN)
Organism: Homo sapiens
Activity: Ki = 9.6
Action type: AGONIST
Assay: Displacement of [3H]DHT from human androgen receptor in MDA453 cells
Drug: testosterone propionate
Target: Steroid 17-alpha-hydroxylase/17,20 lyase (Enzyme)
Gene: CYP17A1
UniProt: P05093 (CP17A_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.25
Assay: In vitro cytochrome P450 17A1 inhibition was assayed using the rapid acetic acid releasing assay (AARA), utilizing intact P450c17-expressing Escherichia coli or P450c17-LNCaP cells as the enzyme source.
Drug: testosterone propionate
Target: Androgen receptor (Transcription factor)
Gene: Ar
UniProt: P15207 (ANDR_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 5.72
Assay: Inhibitory concentration against recombinant rat androgen receptor expressed in Escherichia coli using [3H]methyltrienolone (R 1881)
Drug: doripenem
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: rimonabant
Target: Potassium voltage-gated channel subfamily H member 2 (Ion channel)
Gene: KCNH2
UniProt: Q12809 (KCNH2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.55
Assay: Inhibition of human ERG expressed in HEK293 cells assessed as inhibition of potassium channel current after 5 mins by patch clamp assay
Drug: rimonabant
Target: Acetylcholinesterase (Enzyme)
Gene: ACHE
UniProt: P22303 (ACES_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.6
Assay: Inhibition of human recombinant AChE expressed in HEK293 cells by photometry
Drug: rimonabant
Target: Cannabinoid receptor 2 (GPCR)
Gene: CNR2
UniProt: P34972 (CNR2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 8.96
Assay: Displacement of [3H]-CP-55940 from human CB2 receptor expressed in HEK293T cell membranes by scintillation counting
Drug: rimonabant
Target: N-arachidonyl glycine receptor (GPCR)
Gene: GPR18
UniProt: Q14330 (GPR18_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5
Assay: Antagonist activity at human GPR18 transfected in CHO cells assessed as delta9-THC-induced beta-arrestin recruitment incubated 60 mins prior to delta9-THC addition by beta-arrestin translocation assay
Drug: rimonabant
Target: Cannabinoid receptor 1 (GPCR)
Gene: Cnr1
UniProt: P20272 (CNR1_RAT)
Organism: Rattus norvegicus
Activity: Ki = 9.51
Assay: Antagonist activity at rat CB1 receptor in SF9 cells assessed as inhibition of CP-55940-stimulated GTPgammaS binding
Drug: rimonabant
Target: Cannabinoid receptor 2 (GPCR)
Gene: Cnr2
UniProt: P47936 (CNR2_MOUSE)
Organism: Mus musculus
Activity: Ki = 6.43
Assay: Displacement of [3H]CP55940 from CB2 receptor in CD1 mouse spleen membrane by liquid scintillation counting analysis
Drug: rimonabant
Target: Cannabinoid receptor 1 (GPCR)
Gene: Cnr1
UniProt: P47746 (CNR1_MOUSE)
Organism: Mus musculus
Activity: Ki = 8.82
Assay: Displacement of [3H]CP55940 from CB1 receptor in CD1 mouse brain membrane without cerebellum by liquid scintillation counting analysis
Drug: rimonabant
Target: G-protein coupled receptor 55 (GPCR)
Gene: GPR55
UniProt: Q9Y2T6 (GPR55_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 5.7
Assay: Agonist activity at GPR55 (unknown origin) expressed in CHO cells assessed as inhibition of LPI-induced beta-arrestin translocation after 90 mins by luminescence assay
Drug: rimonabant
Target: Cannabinoid receptor 1 (GPCR)
Gene: CNR1
UniProt: P21554 (CNR1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 9.72
Action type: ANTAGONIST
Assay: Antagonist activity against human CB1 receptor expressed in CHO-K1 cells by [35S]GTPgamma binding assay
Drug: silodosin
Target: Potassium voltage-gated channel subfamily H member 2 (Ion channel)
Gene: KCNH2
UniProt: Q12809 (KCNH2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.09
Assay: Inhibition of human ERG
Drug: silodosin
Target: Multidrug resistance protein 1 (Transporter)
Gene: ABCB1
UniProt: P08183 (MDR1_HUMAN)
Organism: Homo sapiens
Drug: silodosin
Target: Alpha-1A adrenergic receptor (GPCR)
Gene: ADRA1A
UniProt: P35348 (ADA1A_HUMAN)
Organism: Homo sapiens
Activity: Ki = 10.44
Action type: ANTAGONIST
Assay: Binding constant measured against Alpha-1A adrenergic receptor in human prostate; +++:highly active
Drug: silodosin
Target: Alpha-1D adrenergic receptor (GPCR)
Gene: ADRA1D
UniProt: P25100 (ADA1D_HUMAN)
Organism: Homo sapiens
Activity: Ki = 8.7
Action type: ANTAGONIST
Drug: silodosin
Target: Alpha-1B adrenergic receptor (GPCR)
Gene: ADRA1B
UniProt: P35368 (ADA1B_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.7
Action type: ANTAGONIST
Drug: silodosin
Target: Alpha-1A adrenergic receptor (GPCR)
Gene: Adra1a
UniProt: P43140 (ADA1A_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 9.1
Assay: Antagonist activity at alpha1A adrenoceptor in Sprague-Dawley rat urethra assessed as inhibition of norepinephrine-induced smooth muscle contraction after 20 mins
Drug: permethrin
Target: Sodium channel protein (Ion channel)
Gene: vssc
UniProt: Q2VKV7 (Q2VKV7_SARSC)
Organism: Sarcoptes scabiei type hominis
Action type: BLOCKER
Assay: Mechanism of Action; CHEMBL2362985; SINGLE PROTEIN
Drug: cabazitaxel
Target: Tubulin beta (Tumour-associated antigen)
Gene: TUBB|TUBB1|TUBB2A|TUBB2B|TUBB3|TUBB4A|TUBB4B|TUBB6|TUBB8
UniProt: P07437|Q9H4B7|Q13885|Q9BVA1|Q13509|P04350|P68371|Q9BUF5|Q3ZCM7 (TBB5_HUMAN|TBB1_HUMAN|TBB2A_HUMAN|TBB2B_HUMAN|TBB3_HUMAN|TBB4A_HUMAN|TBB4B_HUMAN|TBB6_HUMAN|TBB8_HUMAN)
Organism: Homo sapiens
Action type: INHIBITOR
Assay: Mechanism of Action
Drug: edaravone
Target: Polyunsaturated fatty acid lipoxygenase ALOX15 (Enzyme)
Gene: Alox15
UniProt: P39654 (LOX15_MOUSE)
Organism: Mus musculus
Activity: IC50 = 4.47
Assay: Inhibition of 15-LOX-mediated lipid oxidation in 10% C57BL/6J mouse plasma
Drug: lercanidipine
Target: Voltage-gated L-type calcium channel (Ion channel)
Gene: CACNA1D|CACNA1C
UniProt: Q01668|Q13936 (CAC1D_HUMAN|CAC1C_HUMAN)
Organism: Homo sapiens
Action type: BLOCKER
Assay: Mechanism of Action
Drug: temsirolimus
Target: Multidrug resistance protein 1 (Transporter)
Gene: ABCB1
UniProt: P08183 (MDR1_HUMAN)
Organism: Homo sapiens
Drug: temsirolimus
Target: Peptidyl-prolyl cis-trans isomerase FKBP1A (Enzyme)
Gene: FKBP1A
UniProt: P62942 (FKB1A_HUMAN)
Organism: Homo sapiens
Action type: INHIBITOR
Assay: Mechanism of Action; CHEMBL1902; SINGLE PROTEIN
Drug: temsirolimus
Target: Serine/threonine-protein kinase mTOR (Kinase)
Gene: MTOR
UniProt: P42345 (MTOR_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.75
Assay: Inhibition of FKBP12-independent human recombinant mTOR expressed in HEK293 cells using His6-S6K1 as a substrate by DELFIA assay
Drug: temsirolimus
Target: Peptidyl-prolyl cis-trans isomerase FKBP3 (Enzyme)
Gene: FKBP3
UniProt: Q00688 (FKBP3_HUMAN)
Organism: Homo sapiens
Drug: dexlansoprazole
Target: Potassium-transporting ATPase (Transporter)
Gene: ATP4A|ATP4B
UniProt: P20648|P51164 (ATP4A_HUMAN|ATP4B_HUMAN)
Organism: Homo sapiens
Action type: INHIBITOR
Assay: Mechanism of Action; CHEMBL2095173; PROTEIN COMPLEX
Drug: dexlansoprazole
Target: Cytosolic endo-beta-N-acetylglucosaminidase (Enzyme)
Gene: ENGASE
UniProt: Q8NFI3 (ENASE_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.6
Assay: Inhibition of recombinant human C-MYC/DDK-tagged ENGase expressed in HEK293T cells using heat inactivated bovine ribonuclease B as substrate pretreated for 15 mins followed by substrate addition after 90 mins by SDS-PAGE analysis
Drug: dexlansoprazole
Target: Sterile alpha and TIR motif-containing protein 1 (Unclassified)
Gene: SARM1
UniProt: Q6SZW1 (SARM1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.48
Assay: Inhibition of StrepTag-tagged human SARM1 TIR (561 to 724 residues) expressed in NRK1-HEK293T cells assessed as reduction in NADase activity by measuring maximal ADPR conversion pre-incubated up to 120 mins before NAD+ addition and further incubated for 60 mins by HPLC analysis
Drug: fampridine
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
Activity: IC50 = 4.05
Action type: BLOCKER
Assay: Inhibition of Kv1.1 (unknown origin)
Drug: fampridine
Target: Potassium voltage-gated channel subfamily C member 1 (Ion channel)
Gene: Kcnc1
UniProt: P15388 (KCNC1_MOUSE)
Organism: Mus musculus
Activity: IC50 = 4.5
Action type: BLOCKER
Drug: fampridine
Target: Potassium voltage-gated channel subfamily C member 2 (Ion channel)
Gene: Kcnc2
UniProt: P22462 (KCNC2_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 4.6
Action type: BLOCKER
Drug: liraglutide
Target: Glucagon-like peptide 1 receptor (GPCR)
Gene: GLP1R
UniProt: P43220 (GLP1R_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 10.2
Action type: AGONIST
Drug: alcaftadine
Target: Histamine H1 receptor (GPCR)
Gene: HRH1
UniProt: P35367 (HRH1_HUMAN)
Organism: Homo sapiens
Action type: ANTAGONIST
Assay: Mechanism of Action; CHEMBL231; SINGLE PROTEIN
Drug: ulipristal
Target: Progesterone receptor (Nuclear hormone receptor)
Gene: PGR
UniProt: P06401 (PRGR_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 9.7
Action type: ANTAGONIST
Drug: fingolimod
Target: Sphingosine-1-phosphate lyase 1 (Enzyme)
Gene: SGPL1
UniProt: O95470 (SGPL1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.77
Assay: Inhibition of human recombinant S1PL (62 to 568) expressed in Sf9 insect cells using S1P as substrate after 1 hr
Drug: fingolimod
Target: Sphingosine 1-phosphate receptor 1 (GPCR)
Gene: S1PR1
UniProt: P21453 (S1PR1_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 9.52
Action type: AGONIST
Assay: Agonist activity at S1P1 receptor (unknown origin)
Drug: fingolimod
Target: Sphingosine 1-phosphate receptor 5 (GPCR)
Gene: S1PR5
UniProt: Q9H228 (S1PR5_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 9.52
Action type: AGONIST
Assay: Agonist activity at S1P5 receptor (unknown origin)
Drug: fingolimod
Target: Sphingosine 1-phosphate receptor 4 (GPCR)
Gene: S1PR4
UniProt: O95977 (S1PR4_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 9.52
Action type: AGONIST
Assay: Agonist activity at S1P4 receptor (unknown origin)
Drug: fingolimod
Target: Sphingosine 1-phosphate receptor 3 (GPCR)
Gene: S1PR3
UniProt: Q99500 (S1PR3_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 8.52
Action type: AGONIST
Assay: Agonist activity at S1P3 receptor (unknown origin)
Drug: fingolimod
Target: Transient receptor potential cation channel subfamily M member 7 (Ion channel)
Gene: Trpm7
UniProt: Q923J1 (TRPM7_MOUSE)
Organism: Mus musculus
Activity: IC50 = 6.14
Action type: BLOCKER
Drug: lurasidone
Target: Alpha-2A adrenergic receptor (GPCR)
Gene: ADRA2A
UniProt: P08913 (ADA2A_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.39
Assay: antagonist
Drug: lurasidone
Target: 5-hydroxytryptamine receptor 1A (GPCR)
Gene: HTR1A
UniProt: P08908 (5HT1A_HUMAN)
Organism: Homo sapiens
Activity: Ki = 8.195
Assay: partial agonist
Drug: lurasidone
Target: 5-hydroxytryptamine receptor 7 (GPCR)
Gene: HTR7
UniProt: P34969 (5HT7R_HUMAN)
Organism: Homo sapiens
Activity: Ki = 9.305
Action type: ANTAGONIST
Drug: lurasidone
Target: Alpha-2C adrenergic receptor (GPCR)
Gene: ADRA2C
UniProt: P18825 (ADA2C_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.967
Assay: antagonist with moderate affinity
Drug: lurasidone
Target: D(2) dopamine receptor (GPCR)
Gene: Drd2
UniProt: P61169 (DRD2_RAT)
Organism: Rattus norvegicus
Activity: Ki = 8.77
Action type: ANTAGONIST
Drug: lurasidone
Target: 5-hydroxytryptamine receptor 1A (GPCR)
Gene: Htr1a
UniProt: P19327 (5HT1A_RAT)
Organism: Rattus norvegicus
Activity: Ki = 8.17
Action type: AGONIST
Drug: lurasidone
Target: 5-hydroxytryptamine receptor 2A (GPCR)
Gene: Htr2a
UniProt: P14842 (5HT2A_RAT)
Organism: Rattus norvegicus
Activity: Ki = 8.69
Action type: ANTAGONIST
Drug: lurasidone
Target: D(2) dopamine receptor (GPCR)
Gene: DRD2
UniProt: P14416 (DRD2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 9.003
Action type: ANTAGONIST
Assay: Mechanism of Action
Drug: lurasidone
Target: 5-hydroxytryptamine receptor 2A (GPCR)
Gene: HTR2A
UniProt: P28223 (5HT2A_HUMAN)
Organism: Homo sapiens
Activity: Ki = 9.328
Action type: ANTAGONIST
Assay: Mechanism of Action
Drug: ceftaroline fosamil
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: tesamorelin
Target: Growth hormone-releasing hormone receptor (GPCR)
Gene: GHRHR
UniProt: Q02643 (GHRHR_HUMAN)
Organism: Homo sapiens
Action type: AGONIST
Assay: Mechanism of Action
Drug: eribulin
Target: Tubulin beta (Tumour-associated antigen)
Gene: TUBB|TUBB1|TUBB2A|TUBB2B|TUBB3|TUBB4A|TUBB4B|TUBB6|TUBB8
UniProt: P07437|Q9H4B7|Q13885|Q9BVA1|Q13509|P04350|P68371|Q9BUF5|Q3ZCM7 (TBB5_HUMAN|TBB1_HUMAN|TBB2A_HUMAN|TBB2B_HUMAN|TBB3_HUMAN|TBB4A_HUMAN|TBB4B_HUMAN|TBB6_HUMAN|TBB8_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8.23
Action type: INHIBITOR
Drug: boceprevir
Target: Neutrophil elastase (Enzyme)
Gene: ELANE
UniProt: P08246 (ELNE_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.77
Assay: Inhibition of human leukocyte elastase after 60 mins fluorescence assay
Drug: boceprevir
Target: Cathepsin B (Enzyme)
Gene: CTSB
UniProt: P07858 (CATB_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.21
Assay: Inhibition of human CatB after 60 mins fluorescence assay
Drug: boceprevir
Target: Cathepsin L1 (Enzyme)
Gene: CTSL
UniProt: P07711 (CATL1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.12
Assay: Inhibition of human Cathepsin L
Drug: boceprevir
Target: Chymase (Enzyme)
Gene: CMA1
UniProt: P23946 (CMA1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.49
Assay: Inhibition of human Chymase