AIM-Harvard/TrialPanorama-filtered huggingface dataset:
Drug: hydrocortisone succinate
Target: Glucocorticoid receptor (Transcription factor)
Gene: Nr3c1
UniProt: P06537 (GCR_MOUSE)
Organism: Mus musculus
Activity: Kd = 6.72
Assay: Displacement of 1 x 10'-8 M of [1,2,3-3H]-triamcinolone acetonide from glucocorticoid receptor in soluble fraction of mouse L929 cells after 20 hrs
Drug: sulfisoxazole acetyl
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: sulfisoxazole acetyl
Target: Endothelin-1 receptor (GPCR)
Gene: EDNRA
UniProt: P25101 (EDNRA_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.11
Assay: Inhibitory concentration against Endothelin A receptor
Drug: sulfisoxazole acetyl
Target: Endothelin B receptor (GPCR)
Gene: EDNRB
UniProt: P24530 (EDNRB_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.62
Assay: Binding affinity against human Endothelin B receptor in transfected COS 7 cell membrane preparation
Drug: sulfisoxazole acetyl
Target: Endothelin-1 receptor (GPCR)
Gene: Ednra
UniProt: P26684 (EDNRA_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 6.11
Assay: Antagonism of [125 I]ET-1 binding to the rat endothelin receptor in vascular smooth muscle VSM-A10 cells.
Drug: eosin
Target: Protein arginine N-methyltransferase 1 (Enzyme)
Gene: PRMT1
UniProt: Q99873 (ANM1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6
Drug: eosin
Target: RmtA (Enzyme)
Gene: rmtA
UniProt: Q5VLE3 (Q5VLE3_EMEND)
Organism: Emericella nidulans
Activity: IC50 = 4.74
Assay: Inhibition of Aspergillus nidulans RmtA
Drug: esketamine
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: Ki = 6.161
Action type: ANTAGONIST
Drug: fosaprepitant
Target: Substance-P receptor (GPCR)
Gene: TACR1
UniProt: P25103 (NK1R_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8.92
Action type: ANTAGONIST
Drug: trisodium citrate dihydrate
Target: Carbonic anhydrase 4 (Enzyme)
Gene: CA4
UniProt: P22748 (CAH4_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7
Assay: Binding affinity against human cytosolic Carbonic anhydrase IV
Drug: trisodium citrate dihydrate
Target: Carbonic anhydrase (Enzyme)
Gene: NCE103
UniProt: Q5AJ71 (CAN_CANAL)
Organism: Candida albicans (strain SC5314 / ATCC MYA-2876)
Activity: Ki = 4.41
Assay: Inhibition of Candida albicans Nce103
Drug: sodium citrate
Target: Carbonic anhydrase 4 (Enzyme)
Gene: CA4
UniProt: P22748 (CAH4_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7
Assay: Binding affinity against human cytosolic Carbonic anhydrase IV
Drug: sodium citrate
Target: Carbonic anhydrase (Enzyme)
Gene: NCE103
UniProt: Q5AJ71 (CAN_CANAL)
Organism: Candida albicans (strain SC5314 / ATCC MYA-2876)
Activity: Ki = 4.41
Assay: Inhibition of Candida albicans Nce103
Drug: potassium phosphate, monobasic
Target: Intestinal alkaline phosphatase (Enzyme)
Gene: ALPI
UniProt: P19111 (PPBI_BOVIN)
Organism: Bos taurus
Activity: IC50 = 5.62
Assay: Inhibition of calf intestinal alkaline phosphatase using p-nitrophenyl phosphate as substrate preincubated for 10 mins before substrate addition after 30 mins
Drug: corbadrine
Target: Alpha-1D adrenergic receptor (GPCR)
Gene: ADRA1D
UniProt: P25100 (ADA1D_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.6
Action type: AGONIST
Drug: corbadrine
Target: Adrenergic receptor alpha-2 (GPCR)
Gene: Adra2b|Adra2c|Adra2a
UniProt: P19328|P22086|P22909 (ADA2B_RAT|ADA2C_RAT|ADA2A_RAT)
Organism: Rattus norvegicus
Activity: Ki = 6.69
Assay: Alpha-2 adrenergic receptor binding affinity was tested against membrane preparations of rat brain.
Drug: corbadrine
Target: Adrenergic receptor alpha-1 (GPCR)
Gene: Adra1b|Adra1d|Adra1a
UniProt: P15823|P23944|P43140 (ADA1B_RAT|ADA1D_RAT|ADA1A_RAT)
Organism: Rattus norvegicus
Activity: Ki = 5.44
Assay: Compound was evaluated for inhibition of [3H]prazosin binding to Alpha-1 adrenergic receptor in rat forebrain homogenate.
Drug: corbadrine
Target: Adrenergic receptor alpha-2 (GPCR)
Gene: ADRA2A|ADRA2B|ADRA2C
UniProt: P08913|P18089|P18825 (ADA2A_HUMAN|ADA2B_HUMAN|ADA2C_HUMAN)
Organism: Homo sapiens
Action type: AGONIST
Assay: Mechanism of Action; CHEMBL2095158; PROTEIN FAMILY
Drug: carfilzomib
Target: Potassium voltage-gated channel subfamily H member 2 (Ion channel)
Gene: KCNH2
UniProt: Q12809 (KCNH2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.04
Assay: Inhibition of human ERG in HEK293 cells assessed as effect on QT interval
Drug: carfilzomib
Target: Cathepsin B (Enzyme)
Gene: CTSB
UniProt: P07858 (CATB_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.96
Assay: Inhibition of recombinant cathepsin B (unknown origin) using Z-Leu-Arg-AMC as substrate by spectrofluorometer analysis
Drug: carfilzomib
Target: Proteasome subunit beta type-8 (Enzyme)
Gene: PSMB8
UniProt: P28062 (PSB8_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.85
Assay: Inhibition of chymotrypsin-like activity of LMP7 immunoproteasome by proteasome active site ELISA
Drug: carfilzomib
Target: Proteasome subunit beta type-1 (Enzyme)
Gene: PSMB1
UniProt: P20618 (PSB1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.84
Assay: Inhibition of human caspase-like activity of 20S constitutive proteasome preincubated for 15 mins followed by substrate addition by fluorescence assay
Drug: carfilzomib
Target: Proteasome subunit beta type-2 (Enzyme)
Gene: PSMB2
UniProt: P49721 (PSB2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.69
Assay: Inhibition of 20S proteasome beta2 subunit in human Jurkat cell lysate using Suc-RLR-AMC as substrate pretreated for 30 mins followed by substrate addition and measured after 60 mins by fluorescence assay
Drug: carfilzomib
Target: Glutathione S-transferase omega-1 (Unclassified)
Gene: GSTO1
UniProt: P78417 (GSTO1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.82
Assay: Inhibition of GSTO1-1 (unknown origin) pre-incubated for 1 hr before GSH addition by CDNB-GSH conjugation assay
Drug: carfilzomib
Target: Proteasome subunit beta type-9 (Enzyme)
Gene: PSMB9
UniProt: P28065 (PSB9_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.62
Assay: Inhibition of 20S proteasome beta 1i (unknown origin) after 1 hr by fluorescence based assay
Drug: carfilzomib
Target: Proteasome subunit beta type-10 (Enzyme)
Gene: PSMB10
UniProt: P40306 (PSB10_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.21
Assay: Inhibition of 20S proteasome beta 2i (unknown origin) after 1 hr by fluorescence based assay
Drug: carfilzomib
Target: Proteasome subunit beta type-5 (Enzyme)
Gene: PSMB5
UniProt: P28074 (PSB5_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8.222
Action type: INHIBITOR
Assay: fluorogenic peptide substrate hydrolysis
Drug: aclidinium bromide
Target: Muscarinic acetylcholine receptor M1 (GPCR)
Gene: CHRM1
UniProt: P11229 (ACM1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 10.1
Assay: Binding affinity to muscarinic M1 receptor
Drug: aclidinium bromide
Target: Muscarinic acetylcholine receptor M2 (GPCR)
Gene: CHRM2
UniProt: P08172 (ACM2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 10.1
Assay: Binding affinity to muscarinic M2 receptor
Drug: aclidinium bromide
Target: Muscarinic acetylcholine receptor M3 (GPCR)
Gene: CHRM3
UniProt: P20309 (ACM3_HUMAN)
Organism: Homo sapiens
Activity: Ki = 10.15
Action type: ANTAGONIST
Assay: Binding affinity to muscarinic M3 receptor
Drug: aclidinium bromide
Target: Muscarinic acetylcholine receptor M4 (GPCR)
Gene: CHRM4
UniProt: P08173 (ACM4_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 9.7
Assay: Displacement of [3H]NMS from human muscarinic M4 receptor expressed in CHO-K1 cells after 16 hrs by scintillation proximity assay
Drug: aclidinium bromide
Target: Muscarinic acetylcholine receptor M5 (GPCR)
Gene: CHRM5
UniProt: P08912 (ACM5_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 9.8
Assay: Displacement of [3H]NMS from human muscarinic M5 receptor expressed in CHO-K1 cells after 16 hrs by scintillation proximity assay
Drug: diflorasone diacetate
Target: Glucocorticoid receptor (Nuclear hormone receptor)
Gene: NR3C1
UniProt: P04150 (GCR_HUMAN)
Organism: Homo sapiens
Activity: Ki = 8.536
Action type: AGONIST
Assay: DRUGMATRIX: Glucocorticoid radioligand binding (ligand: [3H] Dexamethasone)
Drug: diflorasone diacetate
Target: Progesterone receptor (Transcription factor)
Gene: PGR
UniProt: Q690N0 (Q690N0_BOVIN)
Organism: Bos taurus
Activity: Ki = 7.824
Assay: DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020)
Drug: alclometasone dipropionate
Target: Glucocorticoid receptor (Nuclear hormone receptor)
Gene: NR3C1
UniProt: P04150 (GCR_HUMAN)
Organism: Homo sapiens
Action type: AGONIST
Assay: Mechanism of Action; CHEMBL2034; SINGLE PROTEIN
Drug: haloperidol decanoate
Target: D(2) dopamine receptor (GPCR)
Gene: DRD2
UniProt: P14416 (DRD2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 9.34
Action type: INVERSE AGONIST
Assay: Displacement of [3H]spiperone from human D2short receptor stably expressed in CHO cell membranes by competitive binding assay
Drug: haloperidol decanoate
Target: D(3) dopamine receptor (GPCR)
Gene: DRD3
UniProt: P35462 (DRD3_HUMAN)
Organism: Homo sapiens
Activity: Ki = 8.46
Drug: haloperidol decanoate
Target: D(4) dopamine receptor (GPCR)
Gene: DRD4
UniProt: P21917 (DRD4_HUMAN)
Organism: Homo sapiens
Activity: Ki = 8.24
Drug: haloperidol decanoate
Target: D(1A) dopamine receptor (GPCR)
Gene: DRD1
UniProt: P50130 (DRD1_PIG)
Organism: Sus scrofa
Activity: Ki = 6.85
Drug: estradiol acetate
Target: Estrogen receptor (Nuclear hormone receptor)
Gene: ESR1
UniProt: P03372 (ESR1_HUMAN)
Organism: Homo sapiens
Action type: AGONIST
Assay: Mechanism of Action; CHEMBL206; SINGLE PROTEIN
Drug: paliperidone palmitate
Target: Potassium voltage-gated channel subfamily H member 2 (Ion channel)
Gene: KCNH2
UniProt: Q12809 (KCNH2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.89
Assay: Inhibition of human ERG channel
Drug: paliperidone palmitate
Target: D(2) dopamine receptor (GPCR)
Gene: DRD2
UniProt: P14416 (DRD2_HUMAN)
Organism: Homo sapiens
Action type: ANTAGONIST
Assay: Mechanism of Action
Drug: paliperidone palmitate
Target: 5-hydroxytryptamine receptor 2A (GPCR)
Gene: HTR2A
UniProt: P28223 (5HT2A_HUMAN)
Organism: Homo sapiens
Action type: ANTAGONIST
Assay: Mechanism of Action
Drug: armodafinil
Target: D(2) dopamine receptor (GPCR)
Gene: DRD2
UniProt: P14416 (DRD2_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 6.921
Drug: armodafinil
Target: D(3) dopamine receptor (GPCR)
Gene: DRD3
UniProt: P35462 (DRD3_HUMAN)
Organism: Homo sapiens
Activity: Ki = 4.41
Assay: Displacement of [3H]N-methylspiperone from human D3R expressed in HEK293 cell membranes incubated for 1 hr by radioligand binding assay
Drug: armodafinil
Target: Sodium-dependent dopamine transporter (Transporter)
Gene: SLC6A3
UniProt: Q01959 (SC6A3_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.497
Action type: INHIBITOR
Drug: armodafinil
Target: Alpha-1B adrenergic receptor (GPCR)
Gene: ADRA1B
UniProt: P35368 (ADA1B_HUMAN)
Organism: Homo sapiens
Drug: armodafinil
Target: Cytochrome P450 1A2 (Enzyme)
Gene: CYP1A2
UniProt: P05177 (CP1A2_HUMAN)
Organism: Homo sapiens
Drug: armodafinil
Target: Cytochrome P450 2C19 (Enzyme)
Gene: CYP2C19
UniProt: P33261 (CP2CJ_HUMAN)
Organism: Homo sapiens
Drug: armodafinil
Target: Sodium-dependent dopamine transporter (Transporter)
Gene: Slc6a3
UniProt: P23977 (SC6A3_RAT)
Organism: Rattus norvegicus
Activity: Ki = 5.49
Assay: Displacement of [3H]WIN35428 from DAT in Sprague-Dawley rat brain membranes
Drug: hydrocortisone valerate
Target: Glucocorticoid receptor (Nuclear hormone receptor)
Gene: NR3C1
UniProt: P04150 (GCR_HUMAN)
Organism: Homo sapiens
Action type: AGONIST
Assay: Mechanism of Action; CHEMBL2034; SINGLE PROTEIN
Drug: choline fenofibrate
Target: Peroxisome proliferator-activated receptor alpha (Nuclear hormone receptor)
Gene: PPARA
UniProt: Q07869 (PPARA_HUMAN)
Organism: Homo sapiens
Activity: Ki = 4.46
Action type: AGONIST
Assay: Binding affinity towards peroxisome proliferator activated receptor alpha (PPAR alpha)
Drug: choline fenofibrate
Target: Fatty acid-binding protein, intestinal (Cytosolic other)
Gene: FABP2
UniProt: P12104 (FABPI_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6
Assay: Displacement of 1-anilinonaphthalene-8-sulphonic acid from I-FABP
Drug: choline fenofibrate
Target: Fatty acid-binding protein, liver (Unclassified)
Gene: Fabp1
UniProt: P02692 (FABPL_RAT)
Organism: Rattus norvegicus
Activity: Kd = 7.03
Assay: Binding affinity to rat recombinant L-FABP high affinity site expressed in Escherichia coli BL21(DE3) at 5 deg C by fluorimetric assay
Drug: choline fenofibrate
Target: Solute carrier family 22 member 12 (Transporter)
Gene: SLC22A12
UniProt: Q96S37 (S22AC_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.96
Assay: Inhibition of URAT1 (unknown origin)
Drug: halcinonide
Target: Glucocorticoid receptor (Nuclear hormone receptor)
Gene: NR3C1
UniProt: P04150 (GCR_HUMAN)
Organism: Homo sapiens
Activity: Ki = 9.135
Action type: AGONIST
Assay: DRUGMATRIX: Glucocorticoid radioligand binding (ligand: [3H] Dexamethasone)
Drug: halcinonide
Target: Androgen receptor (Transcription factor)
Gene: Ar
UniProt: P15207 (ANDR_RAT)
Organism: Rattus norvegicus
Activity: Ki = 6.229
Assay: DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Mibolerone)
Drug: halcinonide
Target: Progesterone receptor (Transcription factor)
Gene: PGR
UniProt: Q690N0 (Q690N0_BOVIN)
Organism: Bos taurus
Activity: Ki = 9.917
Assay: DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020)
Drug: racepinefrine
Target: Alpha-1A adrenergic receptor (GPCR)
Gene: ADRA1A
UniProt: P35348 (ADA1A_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5
Action type: AGONIST
Drug: racepinefrine
Target: Alpha-1D adrenergic receptor (GPCR)
Gene: ADRA1D
UniProt: P25100 (ADA1D_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6
Action type: AGONIST
Drug: racepinefrine
Target: Alpha-1B adrenergic receptor (GPCR)
Gene: ADRA1B
UniProt: P35368 (ADA1B_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.1
Action type: AGONIST
Drug: lithium citrate
Target: Glycogen synthase kinase-3 (Kinase)
Gene: GSK3A|GSK3B
UniProt: P49840|P49841 (GSK3A_HUMAN|GSK3B_HUMAN)
Organism: Homo sapiens
Action type: INHIBITOR
Assay: Mechanism of Action; CHEMBL2095188; PROTEIN FAMILY
Drug: lithium citrate
Target: Inositol-1(or 4)-monophosphatase 1 (Enzyme)
Gene: IMPA1
UniProt: P29218 (IMPA1_HUMAN)
Organism: Homo sapiens
Action type: INHIBITOR
Assay: Mechanism of Action; CHEMBL1786; SINGLE PROTEIN
Drug: teriparatide
Target: Parathyroid hormone/parathyroid hormone-related peptide receptor (GPCR)
Gene: PTH1R
UniProt: Q03431 (PTH1R_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.4
Action type: AGONIST
Drug: teriparatide
Target: Parathyroid hormone 2 receptor (GPCR)
Gene: PTH2R
UniProt: P49190 (PTH2R_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.8
Action type: AGONIST
Drug: teriparatide
Target: Parathyroid hormone 2 receptor (GPCR)
Gene: Pth2r
UniProt: P70555 (PTH2R_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 6.3
Action type: AGONIST
Drug: teriparatide
Target: Parathyroid hormone/parathyroid hormone-related peptide receptor (GPCR)
Gene: Pth1r
UniProt: P25961 (PTH1R_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 8.7
Action type: AGONIST
Drug: tetracosactide
Target: Melanocortin receptor 4 (GPCR)
Gene: MC4R
UniProt: P32245 (MC4R_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 9.19
Assay: Agonist activity at wild type human melanocortin-4 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assessed as stimulatory response after 6 hrs
Drug: tetracosactide
Target: Adrenocorticotropic hormone receptor (GPCR)
Gene: MC2R
UniProt: Q01718 (ACTHR_HUMAN)
Organism: Homo sapiens
Activity: Ki = 8.268
Action type: AGONIST
Assay: 125I-ACTH binding in OS3 cells expressing hMC2R wild type
Drug: quinine
Target: Potassium voltage-gated channel subfamily H member 2 (Ion channel)
Gene: KCNH2
UniProt: Q12809 (KCNH2_HUMAN)
Organism: Homo sapiens
Drug: quinine
Target: Multidrug resistance protein 1 (Transporter)
Gene: ABCB1
UniProt: P08183 (MDR1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 4.92
Assay: High affinity constant at binding site of human P-Glycoprotein (P-gp) in two-affinity model
Drug: quinine
Target: Hemoglobin subunit alpha (Secreted)
Gene: HBA1
UniProt: P69905 (HBA_HUMAN)
Organism: Homo sapiens
Drug: quinine
Target: Potassium voltage-gated channel subfamily B member 2 (Ion channel)
Gene: KCNB2
UniProt: Q92953 (KCNB2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.9
Action type: BLOCKER
Drug: quinine
Target: Solute carrier family 22 member 1 (Transporter)
Gene: SLC22A1
UniProt: O15245 (S22A1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.29
Assay: Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells by confocal microscopy
Drug: quinine
Target: Sodium channel alpha subunits; brain (Types I, II, III) (Ion channel)
Gene: SCN1A|SCN2A|SCN3A
UniProt: P35498|Q99250|Q9NY46 (SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.36
Assay: Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea pig cerebral cortex
Drug: quinine
Target: Equilibrative nucleoside transporter 4 (Transporter)
Gene: SLC29A4
UniProt: Q7RTT9 (S29A4_HUMAN)
Organism: Homo sapiens
Activity: Ki = 4.57
Action type: INHIBITOR
Drug: fenbendazole
Target: Mitogen-activated protein kinase 14 (Kinase)
Gene: MAPK14
UniProt: Q16539 (MK14_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.496
Assay: DRUGMATRIX: Protein Serine/Threonine Kinase, p38alpha enzyme inhibition (substrate: Myelin Basic Protein)
Drug: fenbendazole
Target: Beta-lactamase 1 (Enzyme)
Gene: penPC
UniProt: P10424 (BLA1_BACCE)
Organism: Bacillus cereus
Activity: IC50 = 5.222
Assay: DRUGMATRIX: beta-Lactamase enzyme inhibition (substrate: Nitrocefin)
Drug: fluticasone furoate
Target: Glucocorticoid receptor (Nuclear hormone receptor)
Gene: NR3C1
UniProt: P04150 (GCR_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 10.12
Action type: AGONIST
Assay: Transrepression activity at glucocorticoid receptor in human H292 cells assessed as inhibition of TNF-stimulated IL-6 cytokine synthesis
Drug: fluticasone furoate
Target: Mineralocorticoid receptor (Nuclear hormone receptor)
Gene: NR3C2
UniProt: P08235 (MCR_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.83
Assay: Displacement of [3H]-aldosterone from N terminal maltose binding protein tagged human mineralocorticoid receptor LBD (726 to 984 residues) expressed in baculovirus infected high five cells after 8 hrs by scintillation proximity assay
Drug: fluticasone furoate
Target: Progesterone receptor (Nuclear hormone receptor)
Gene: PGR
UniProt: P06401 (PRGR_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 7.68
Assay: Displacement of fluormone labelled PL Red from human recombinant progesterone receptor after 1 to 6 hrs ligand by fluorescence polarization assay
Drug: fluticasone furoate
Target: Androgen receptor (Transcription factor)
Gene: Ar
UniProt: P15207 (ANDR_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 5.73
Assay: Displacement of fluormone labelled AL green from rat recombinant His/GST-tagged androgen receptor LBD after 4 to 6 hrs by fluorescence polarization assay
Drug: fluticasone furoate
Target: Glucocorticoid receptor (Transcription factor)
Gene: Nr3c1
UniProt: P06536 (GCR_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 8.3
Drug: gepirone
Target: D(2) dopamine receptor (GPCR)
Gene: DRD2
UniProt: P14416 (DRD2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.24
Assay: Binding affinity to D2 receptor by radioligand binding assay
Drug: gepirone
Target: 5-hydroxytryptamine receptor 1A (GPCR)
Gene: HTR1A
UniProt: P08908 (5HT1A_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.89
Action type: AGONIST
Assay: Displacement of [3H]8-OH-DPAT from human 5HT1A receptor in HEK293 cells
Drug: gepirone
Target: 5-hydroxytryptamine receptor 2A (GPCR)
Gene: HTR2A
UniProt: P28223 (5HT2A_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.44
Assay: Binding affinity to 5-HT2A (unknown origin)
Drug: gepirone
Target: 5-hydroxytryptamine receptor 1A (GPCR)
Gene: Htr1a
UniProt: P19327 (5HT1A_RAT)
Organism: Rattus norvegicus
Activity: Ki = 7.5
Assay: In vitro ability to displace [3H]8-hydroxy-2-(di-n-propylamino) tetralin binding from 5-hydroxytryptamine 1A receptor site in rat brain hippocampus
Drug: gepirone
Target: Serotonin 1 (5-HT1) receptor (GPCR)
Gene: Htr1a|Htr1b|Htr1d|Htr1f
UniProt: P19327|P28564|P28565|P30940 (5HT1A_RAT|5HT1B_RAT|5HT1D_RAT|5HT1F_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 6.17
Assay: Binding affinity towards hippocampus 5-hydroxytryptamine 1 receptor was measured using radioligand [3H]5-HT
Drug: gepirone
Target: Adrenergic receptor alpha-1 (GPCR)
Gene: Adra1b|Adra1d|Adra1a
UniProt: P15823|P23944|P43140 (ADA1B_RAT|ADA1D_RAT|ADA1A_RAT)
Organism: Rattus norvegicus
Activity: Ki = 5.62
Assay: Displacement of [3H]prazosin from adrenergic alpha-1 receptor in rat cerebral cortex cells
Drug: sodium oxybate
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; CHEMBL2111463; PROTEIN COMPLEX
Drug: sodium oxybate
Target: Gamma-hydroxybutyrate receptor (Unclassified)
Gene: Tspan17
UniProt: Q6RY99 (Q6RY99_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 5.18
Assay: Binding affinity towards [3H]GHB binding site
Drug: hydrochloric acid
Target: Carbonic anhydrase 4 (Enzyme)
Gene: CA4
UniProt: P22748 (CAH4_HUMAN)
Organism: Homo sapiens
Activity: Ki = 4.05
Assay: Inhibition constant of anion against human carbonic anhydrase isozyme hCA IV
Drug: hydrocortisone probutate
Target: Glucocorticoid receptor (Nuclear hormone receptor)
Gene: NR3C1
UniProt: P04150 (GCR_HUMAN)
Organism: Homo sapiens
Action type: AGONIST
Assay: Mechanism of Action; CHEMBL2034; SINGLE PROTEIN
Drug: iclaprim
Target: Dihydrofolate reductase (Enzyme)
Gene: DHFR
UniProt: P00374 (DYR_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.11
Assay: Inhibition of human DHFR assessed as oxidation of NADPH using dihydrofolate as substrate pre-incubated for 10 mins before substrate addition by spectrophotometry
Drug: iclaprim
Target: Dihydrofolate reductase (Enzyme)
UniProt: P16184 (DYR_PNECA)
Organism: Pneumocystis carinii
Activity: IC50 = 5.62
Assay: Inhibition of Pneumocystis carinii dihydrofolate reductase (DHFR) enzyme by trimethoprim (TMP)
Drug: iclaprim
Target: Dihydrofolate reductase (Enzyme)
Gene: dfrA17
UniProt: B0BL08 (B0BL08_ECOLX)
Organism: Escherichia coli
Activity: IC50 = 8.15
Assay: Inhibition of Escherichia coli dihydrofolate reductase (DHFR) enzyme by trimethoprim (TMP)
Drug: iclaprim
Target: Dihydrofolate reductase (Enzyme)
Gene: folA
UniProt: P0A017 (DYR_STAAU)
Organism: Staphylococcus aureus
Activity: Ki = 10.1
Assay: Inhibition of Staphylococcus aureus DHFR using dihydrofolate as substrate preincubated for 10 mins followed by substrate addition by spectrophotometric analysis in presence of NADPH
Drug: levomethadone
Target: Opioid receptor (GPCR)
Gene: Oprd1|Oprm1|Oprk1|Sigmar1
UniProt: P33533|P33535|P34975|Q9R0C9 (OPRD_RAT|OPRM_RAT|OPRK_RAT|SGMR1_RAT)
Organism: Rattus norvegicus
Activity: Ki = 8.7
Assay: Inhibition of [3H]- naloxone binding to Opioid receptors in rat brain membrane in the absence of Na
Drug: linopirdine
Target: Potassium voltage-gated channel subfamily KQT member 2 (Ion channel)
Gene: KCNQ2
UniProt: O43526 (KCNQ2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.3
Action type: BLOCKER
Drug: linopirdine
Target: Potassium voltage-gated channel subfamily KQT member 5 (Ion channel)
Gene: KCNQ5
UniProt: Q9NR82 (KCNQ5_HUMAN)
Organism: Homo sapiens
Activity: Kd = 4.8
Action type: BLOCKER
Drug: linopirdine
Target: Potassium voltage-gated channel subfamily KQT member 4 (Ion channel)
Gene: KCNQ4
UniProt: P56696 (KCNQ4_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.9
Action type: BLOCKER
Drug: linopirdine
Target: Potassium voltage-gated channel subfamily KQT member 3 (Ion channel)
Gene: Kcnq3
UniProt: O88944 (KCNQ3_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 5.4
Action type: INHIBITOR