AIM-Harvard/TrialPanorama-filtered huggingface dataset:
Drug: neomycin
Target: Lecithin retinol acyltransferase (Enzyme)
Gene: LRAT
UniProt: O95237 (LRAT_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.83
Assay: Compound tested in vitro for inhibition of translation using highly active Escherichia coli S30 and a plasmid containing a gene expressing truncated lecithin retinol acyltransferase
Drug: neomycin
Target: Menin (Unclassified)
Gene: MEN1
UniProt: O00255 (MEN1_HUMAN)
Organism: Homo sapiens
Activity: Kd = 4.81
Assay: Binding affinity to menin (unknown origin) by isothermal titration calorimetry analysis
Drug: neomycin
Target: Extracellular calcium-sensing receptor (GPCR)
Gene: Casr
UniProt: P48442 (CASR_RAT)
Organism: Rattus norvegicus
Activity: Kd = 4
Action type: AGONIST
Drug: pyrithione zinc
Target: Carbonic anhydrase 4 (Enzyme)
Gene: CA4
UniProt: P22748 (CAH4_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.21
Assay: Inhibition of human recombinant carbonic anhydrase 4 preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method
Drug: pyrithione zinc
Target: Potassium voltage-gated channel subfamily KQT member 2 (Ion channel)
Gene: KCNQ2
UniProt: O43526 (KCNQ2_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 5.8
Action type: ACTIVATOR
Drug: pyrithione zinc
Target: Carbonic anhydrase 9 (Enzyme)
Gene: CA9
UniProt: Q16790 (CAH9_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.76
Assay: Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method
Drug: pyrithione zinc
Target: Carbonic anhydrase 12 (Enzyme)
Gene: CA12
UniProt: O43570 (CAH12_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.27
Assay: Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method
Drug: pyrithione zinc
Target: Potassium voltage-gated channel subfamily KQT member 1 (Ion channel)
Gene: KCNQ1
UniProt: P51787 (KCNQ1_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 5
Action type: ACTIVATOR
Drug: pyrithione zinc
Target: Carbonic anhydrase 5A, mitochondrial (Enzyme)
Gene: CA5A
UniProt: P35218 (CAH5A_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.29
Assay: Inhibition of human recombinant carbonic anhydrase 5A preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method
Drug: pyrithione zinc
Target: Carbonic anhydrase 5B, mitochondrial (Enzyme)
Gene: CA5B
UniProt: Q9Y2D0 (CAH5B_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.45
Assay: Inhibition of human recombinant carbonic anhydrase 5B preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method
Drug: pyrithione zinc
Target: Carbonic anhydrase 7 (Enzyme)
Gene: CA7
UniProt: P43166 (CAH7_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.11
Assay: Inhibition of human recombinant carbonic anhydrase 7 preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method
Drug: pyrithione zinc
Target: Potassium voltage-gated channel subfamily KQT member 5 (Ion channel)
Gene: KCNQ5
UniProt: Q9NR82 (KCNQ5_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 5
Action type: ACTIVATOR
Drug: pyrithione zinc
Target: Carbonic anhydrase 3 (Enzyme)
Gene: CA3
UniProt: P07451 (CAH3_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.79
Assay: Inhibition of human recombinant carbonic anhydrase 3 preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method
Drug: pyrithione zinc
Target: Carbonic anhydrase 6 (Enzyme)
Gene: CA6
UniProt: P23280 (CAH6_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.62
Assay: Inhibition of human recombinant carbonic anhydrase 6 preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method
Drug: pyrithione zinc
Target: Carbonic anhydrase 14 (Enzyme)
Gene: CA14
UniProt: Q9ULX7 (CAH14_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.54
Assay: Inhibition of human recombinant carbonic anhydrase 14 preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method
Drug: pyrithione zinc
Target: Potassium voltage-gated channel subfamily KQT member 4 (Ion channel)
Gene: KCNQ4
UniProt: P56696 (KCNQ4_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 5
Action type: ACTIVATOR
Drug: pyrithione zinc
Target: Carbonic anhydrase 13 (Enzyme)
Gene: CA13
UniProt: Q8N1Q1 (CAH13_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.38
Assay: Inhibition of human recombinant carbonic anhydrase 13 preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method
Drug: bismuth subsalicylate
Target: Cyclooxygenase (Enzyme)
Gene: PTGS1|PTGS2
UniProt: P23219|P35354 (PGH1_HUMAN|PGH2_HUMAN)
Organism: Homo sapiens
Action type: INHIBITOR
Assay: Mechanism of Action; CHEMBL2094253; PROTEIN FAMILY
Drug: thymol
Target: Transient receptor potential cation channel subfamily A member 1 (Ion channel)
Gene: TRPA1
UniProt: O75762 (TRPA1_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 5.22
Assay: Activation of human TRPA1 assessed as stimulation of intracellular Ca2+ levels
Drug: thymol
Target: Transient receptor potential cation channel subfamily M member 8 (Ion channel)
Gene: Trpm8
UniProt: Q8R455 (TRPM8_RAT)
Organism: Rattus norvegicus
Activity: EC50 = 4.28
Assay: Activation of rat TRPM8 expressed in HEK293 cells assessed as stimulation of intracellular Ca2+ levels
Drug: thymol
Target: Heat sensitive channel TRPV3 (Unclassified)
UniProt: Q4QYD9 (Q4QYD9_RAT)
Organism: Rattus norvegicus
Activity: EC50 = 4.54
Assay: Activation of rat TRPV3 overexpressed in HEK293 cells assessed as increase in 2-aminoethoxydiphenyl borate-induced intracellular calcium concentration by Fluo-4AM dye-based spectrofluorometry
Drug: sulfur
Target: Carbonic anhydrase 2 (Enzyme)
Gene: CA2
UniProt: P00918 (CAH2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 4.4
Drug: sulfur
Target: Carbonic anhydrase 1 (Enzyme)
Gene: CA1
UniProt: P00915 (CAH1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.22
Drug: carbamide
Target: Olfactory receptor 51E2 (GPCR)
Gene: OR51E2
UniProt: Q9H255 (O51E2_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 7.64
Assay: Agonist activity at PSGR/OR51E2 (unknown origin) expressed in human Hana3A cells co-transfected with CRE-Luc by luciferase reporter gene assay
Drug: gentamicin
Target: Dihydrofolate reductase (Enzyme)
Gene: DHFR
UniProt: P00374 (DYR_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.74
Assay: Inhibition of human DHFR after 2 mins
Drug: gentamicin
Target: Dihydrofolate reductase (Enzyme)
Gene: DHFR
UniProt: P00376 (DYR_BOVIN)
Organism: Bos taurus
Activity: IC50 = 4.6
Assay: Inhibition of bovine DHFR after 2 mins
Drug: gentamicin
Target: Transient receptor potential cation channel subfamily A member 1 (Ion channel)
Gene: Trpa1
UniProt: Q8BLA8 (TRPA1_MOUSE)
Organism: Mus musculus
Activity: IC50 = 5.2
Action type: GATING INHIBITOR
Drug: phenol
Target: Carbonic anhydrase 2 (Enzyme)
Gene: CA2
UniProt: P00918 (CAH2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.26
Assay: Inhibition of human CA2 by stopped-flow CO2 hydration assay
Drug: phenol
Target: Carbonic anhydrase 1 (Enzyme)
Gene: CA1
UniProt: P00915 (CAH1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5
Assay: Inhibition of human recombinant alpha-carbonic anhydrase 1 after 15 mins by stopped flow CO2 hydration assay
Drug: phenol
Target: Carbonic anhydrase 4 (Enzyme)
Gene: CA4
UniProt: P22748 (CAH4_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.02
Assay: Inhibition of human CA4 by stopped-flow CO2 hydration assay
Drug: phenol
Target: Carbonic anhydrase 9 (Enzyme)
Gene: CA9
UniProt: Q16790 (CAH9_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.06
Assay: Inhibition of human CA9 by stopped-flow CO2 hydration assay
Drug: phenol
Target: Carbonic anhydrase 12 (Enzyme)
Gene: CA12
UniProt: O43570 (CAH12_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.04
Assay: Inhibition of human CA12 by stopped-flow CO2 hydration assay
Drug: phenol
Target: Carbonic anhydrase 3 (Enzyme)
Gene: CA3
UniProt: P07451 (CAH3_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.57
Assay: Inhibition of human CA3 by stopped-flow CO2 hydration assay
Drug: phenol
Target: Carbonic anhydrase 14 (Enzyme)
Gene: CA14
UniProt: Q9ULX7 (CAH14_HUMAN)
Organism: Homo sapiens
Activity: Ki = 4.94
Assay: Inhibition of human CA14 by stopped-flow CO2 hydration assay
Drug: phenol
Target: Endolysin (Enzyme)
Gene: E
UniProt: P00720 (ENLYS_BPT4)
Organism: Enterobacteria phage T4
Activity: Kd = 4.04
Assay: Dissociation constant against T4 lysozyme mutant L99A/M102Q
Drug: phenol
Target: Carbonic anhydrase 15 (Enzyme)
Gene: Ca15
UniProt: Q99N23 (CAH15_MOUSE)
Organism: Mus musculus
Activity: Ki = 4.98
Assay: Inhibition of mouse recombinant carbonic anhydrase 15 by stopped-flow CO2 hydrase assay
Drug: phenol
Target: Carbonic anhydrase (Enzyme)
Gene: NCE103
UniProt: Q5AJ71 (CAN_CANAL)
Organism: Candida albicans (strain SC5314 / ATCC MYA-2876)
Activity: Ki = 4.76
Assay: Inhibition of Candida albicans recombinant Nce103 beta-carbonic anhydrase after 15 mins by stopped flow CO2 hydration assay
Drug: phenol
Target: Probable transmembrane carbonic anhydrase (Carbonate dehydratase) (Carbonic dehydratase); Transmembrane carbonic anhydrase (Enzyme)
UniProt: P96878 (P96878_MYCTU)
Organism: Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Activity: Ki = 4.1
Assay: Inhibition of Mycobacterium tuberculosis recombinant Rv3273 beta-carbonic anhydrase after 15 mins by stopped flow CO2 hydration assay
Drug: phenol
Target: Carbonic anhydrase 2 (Enzyme)
Gene: CAN2
UniProt: Q3I4V7 (Q3I4V7_CRYNV)
Organism: Cryptococcus neoformans var. grubii
Activity: Ki = 4.59
Assay: Inhibition of Cryptococcus neoformans recombinant Can2 beta-carbonic anhydrase after 15 mins by stopped flow CO2 hydration assay
Drug: phenol
Target: Carbonic anhydrase (Enzyme)
Gene: ca
UniProt: Q2PCB5 (Q2PCB5_DICLA)
Organism: Dicentrarchus labrax
Activity: Ki = 4.86
Assay: Inhibition of Dicentrarchus labrax CA using 4-nitrophenylacetate substrate by esterase assay
Drug: phenol
Target: Beta-carbonic anhydrase 1 (Enzyme)
Gene: mtcA1
UniProt: P9WPJ7 (MTCA1_MYCTU)
Organism: Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Activity: Ki = 4.19
Assay: Inhibition of Mycobacterium tuberculosis recombinant Rv1284 beta-carbonic anhydrase after 15 mins by stopped flow CO2 hydration assay
Drug: arbutin
Target: Tyrosinase (Enzyme)
Gene: TYR
UniProt: P14679 (TYRO_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.52
Assay: Inhibition of tyrosinase in Melan-a cells
Drug: arbutin
Target: Polyphenol oxidase 2 (Enzyme)
Gene: PPO2
UniProt: O42713 (PPO2_AGABI)
Organism: Agaricus bisporus
Activity: IC50 = 4
Assay: Inhibition of mushroom tyrosinase using L-tyrosine as a substrate after 30 mins by spectrophotometric method
Drug: arbutin
Target: Tyrosinase (Enzyme)
Gene: Tyr
UniProt: P11344 (TYRO_MOUSE)
Organism: Mus musculus
Activity: IC50 = 4.52
Assay: Inhibition of tyrosinase in mouse Melan-a cells by ELISA
Drug: piperonyl butoxide
Target: Cytochrome P450 3A4 (Enzyme)
Gene: CYP3A4
UniProt: P08684 (CP3A4_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.52
Assay: null: A commercially available P450-GLO Assay kit (Promega Corporation, Madison Wis.) is used to screen various compounds for CYP3A4A inhibition activity. CYP3A4A is thought to be one of the primary CYP isoforms responsible for retinoic acid metabolism in the skin. Three benchmark agents, liarozole, climbazole, and ketoconazole, were assessed for CYP3A4 inhibition to confirm that the inhibition activity (the IC50 for CYP3A4 inhibition) measured by the assay corresponds to the activity reported by the published literature. The results show that the substituted azole compounds having the specific structure set forth herein are CYP inhibitors, and thus function as RAMBAs.
Drug: piperonyl butoxide
Target: Cytochrome P450 (Enzyme)
UniProt: E0V9R7|E0VAD1|E0VBK5|E0VCA5|E0VCW8|E0VCW9|E0VDM3|E0VDR0|E0VED4|E0VGV6|E0VHL8|E0VHZ1|E0VJJ0|E0VM29|E0VMV6|E0VMV7|E0VMW9|E0VQ45|E0VQ46|E0VQ47|E0VRD2|E0VSD4|E0VSD5|E0VUR0|E0VUR1|E0VV39|E0VV52|E0VV70|E0VV72|E0VXT9|E0VZW4|E0W115|E0W2B1|E0W389|E0W4F7 (E0V9R7_PEDHC|E0VAD1_PEDHC|E0VBK5_PEDHC|E0VCA5_PEDHC|E0VCW8_PEDHC|E0VCW9_PEDHC|E0VDM3_PEDHC|E0VDR0_PEDHC|E0VED4_PEDHC|E0VGV6_PEDHC|E0VHL8_PEDHC|E0VHZ1_PEDHC|E0VJJ0_PEDHC|E0VM29_PEDHC|E0VMV6_PEDHC|E0VMV7_PEDHC|E0VMW9_PEDHC|E0VQ45_PEDHC|E0VQ46_PEDHC|E0VQ47_PEDHC|E0VRD2_PEDHC|E0VSD4_PEDHC|E0VSD5_PEDHC|E0VUR0_PEDHC|E0VUR1_PEDHC|E0VV39_PEDHC|E0VV52_PEDHC|E0VV70_PEDHC|E0VV72_PEDHC|E0VXT9_PEDHC|E0VZW4_PEDHC|E0W115_PEDHC|E0W2B1_PEDHC|E0W389_PEDHC|E0W4F7_PEDHC)
Organism: Pediculus humanus subsp. corporis
Action type: INHIBITOR
Assay: Mechanism of Action; CHEMBL2364702; PROTEIN FAMILY
Drug: tapentadol
Target: Mu-type opioid receptor (GPCR)
Gene: OPRM1
UniProt: P35372 (OPRM_HUMAN)
Organism: Homo sapiens
Activity: Ki = 7.018
Action type: AGONIST
Drug: tapentadol
Target: Sodium-dependent noradrenaline transporter (Transporter)
Gene: SLC6A2
UniProt: P23975 (SC6A2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.319
Action type: INHIBITOR
Drug: tapentadol
Target: Solute carrier family 22 member 1 (Transporter)
Gene: SLC22A1
UniProt: O15245 (S22A1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.66
Assay: Inhibition of human OCT1 expressed in HEK293 cells assessed as reduction in ASP+ substrate uptake by microplate reader based analysis
Drug: Florbetapir F-18
Target: Amyloid beta A4 protein (Unclassified)
Gene: APP
UniProt: P05067 (A4_HUMAN)
Organism: Homo sapiens
Activity: Ki = 8.54
Drug: doconexent
Target: Aromatase (Enzyme)
Gene: CYP19A1
UniProt: P11511 (CP19A_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 4.48
Assay: Inhibition of aromatase in human placental microsomes by radiometric method
Drug: doconexent
Target: Retinoic acid receptor RXR-alpha (Nuclear hormone receptor)
Gene: RXRA
UniProt: P19793 (RXRA_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.2
Assay: Displacement of CU-6PMN from human RXRalpha LBD incubated for 2 hrs by fluorescence based assay
Drug: doconexent
Target: Free fatty acid receptor 1 (GPCR)
Gene: FFAR1
UniProt: O14842 (FFAR1_HUMAN)
Organism: Homo sapiens
Activity: EC50 = 6
Action type: AGONIST
Drug: doconexent
Target: Prostaglandin G/H synthase 2 (Enzyme)
Gene: PTGS2
UniProt: P79208 (PGH2_SHEEP)
Organism: Ovis aries
Activity: IC50 = 5.01
Assay: Inhibition of sheep COX2-mediated prostaglandin biosynthesis using [1-14C]arachidonic acid
Drug: doconexent
Target: Prostaglandin G/H synthase 1 (Enzyme)
Gene: PTGS1
UniProt: O62664 (PGH1_BOVIN)
Organism: Bos taurus
Activity: IC50 = 4.82
Assay: Inhibition of bovine COX1-mediated prostaglandin biosynthesis using [1-14C]arachidonic acid
Drug: doconexent
Target: Oxoeicosanoid receptor 1 (GPCR)
Gene: OXER1
UniProt: Q8TDS5 (OXER1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 5.7
Assay: Antagonist activity at human OXE receptor fused with G-alphai assessed as inhibition of 5-oxo-ETE-induced GTPgammaS binding after 60 mins by liquid scintillation counting analysis
Drug: doconexent
Target: Transient receptor potential cation channel subfamily A member 1 (Ion channel)
Gene: Trpa1
UniProt: Q6RI86 (TRPA1_RAT)
Organism: Rattus norvegicus
Activity: EC50 = 4.4
Action type: ACTIVATOR
Assay: Patch clamp
Drug: doconexent
Target: Retinoic acid receptor RXR-alpha (Nuclear other)
Gene: RXRA
UniProt: P19793 (RXRA_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.2
Assay: Displacement of CU-6PMN from human RXRalpha LBD incubated for 2 hrs by fluorescence based assay
Drug: potassium iodide
Target: Carbonic anhydrase 4 (Enzyme)
Gene: CA4
UniProt: P22748 (CAH4_HUMAN)
Organism: Homo sapiens
Activity: Ki = 4.1
Assay: Inhibition of human carbonic anhydrase 4 by Lineweaver-Burk curves
Drug: apixaban
Target: Prothrombin (Enzyme)
Gene: F2
UniProt: P00734 (THRB_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.51
Assay: Inhibition of human thrombin
Drug: apixaban
Target: Coagulation factor X (Enzyme)
Gene: F10
UniProt: P00742 (FA10_HUMAN)
Organism: Homo sapiens
Activity: Ki = 10.1
Action type: INHIBITOR
Assay: Inhibition of human factor 10a
Drug: apixaban
Target: Coagulation factor X (Enzyme)
Gene: F10
UniProt: O19045 (FA10_RABIT)
Organism: Oryctolagus cuniculus
Activity: Ki = 9.77
Assay: Binding affinity to rabbit F10a
Drug: cobicistat
Target: Cytochrome P450 3A (Enzyme)
Gene: CYP3A4|CYP3A5|CYP3A7|CYP3A43
UniProt: P08684|P20815|P24462|Q9HB55 (CP3A4_HUMAN|CP3A5_HUMAN|CP3A7_HUMAN|CP343_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.027
Action type: INHIBITOR
Assay: Inactivation of Human Hepatic Microsomal CYP3A-Dependent Midazolam 1'-Hydroxylase Activity
Drug: elvitegravir
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: IC50 = 8
Drug: elvitegravir
Target: Integrase (Enzyme)
Gene: pol
UniProt: Q7ZJM1 (Q7ZJM1_9HIV1)
Organism: Human immunodeficiency virus 1
Activity: IC50 = 8.14
Action type: INHIBITOR
Assay: Inhibition of recombinant HIV1 integrase strand transfer activity
Drug: elvitegravir
Target: Reverse transcriptase (Enzyme)
Gene: reverse transcriptas
UniProt: Q9WKE8 (Q9WKE8_9HIV1)
Organism: Human immunodeficiency virus 1
Activity: IC50 = 4.04
Assay: Inhibition of HIV1 RNase H function of recombinant reverse transcriptase using an 18-nt 3'-fluorescein-labeled RNA annealed to complementary 18-nt 5'-dabsyl-labeled DNA as substrate after 10 mins by fluorescence spectrometer analysis
Drug: elvitegravir
Target: Integrase (Enzyme)
UniProt: Q76353 (Q76353_9HIV1)
Organism: Human immunodeficiency virus 1
Activity: IC50 = 8.75
Assay: Inhibition of HIV1 integrase
Drug: Flutemetamol (18F)
Target: Amyloid beta A4 protein (Unclassified)
Gene: APP
UniProt: P05067 (A4_HUMAN)
Organism: Homo sapiens
Activity: Ki = 9.15
Assay: Binding affinity to human amyloid beta plaque
Drug: glycopyrronium bromide
Target: Muscarinic acetylcholine receptor M1 (GPCR)
Gene: CHRM1
UniProt: P11229 (ACM1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 9.69
Action type: ANTAGONIST
Drug: glycopyrronium bromide
Target: Muscarinic acetylcholine receptor M2 (GPCR)
Gene: CHRM2
UniProt: P08172 (ACM2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 9.25
Action type: ANTAGONIST
Drug: glycopyrronium bromide
Target: Muscarinic acetylcholine receptor M3 (GPCR)
Gene: CHRM3
UniProt: P20309 (ACM3_HUMAN)
Organism: Homo sapiens
Activity: Ki = 9.64
Action type: ANTAGONIST
Drug: glycopyrronium bromide
Target: Muscarinic acetylcholine receptor M4 (GPCR)
Gene: CHRM4
UniProt: P08173 (ACM4_HUMAN)
Organism: Homo sapiens
Activity: Ki = 9.06
Action type: ANTAGONIST
Drug: glycopyrronium bromide
Target: Muscarinic acetylcholine receptor M5 (GPCR)
Gene: CHRM5
UniProt: P08912 (ACM5_HUMAN)
Organism: Homo sapiens
Activity: Ki = 8.91
Action type: ANTAGONIST
Drug: eslicarbazepine acetate
Target: Sodium channel alpha subunit (Ion channel)
Gene: SCN1A|SCN4A|SCN7A|SCN5A|SCN9A|SCN2A|SCN3A|SCN11A|SCN8A|SCN10A
UniProt: P35498|P35499|Q01118|Q14524|Q15858|Q99250|Q9NY46|Q9UI33|Q9UQD0|Q9Y5Y9 (SCN1A_HUMAN|SCN4A_HUMAN|SCN7A_HUMAN|SCN5A_HUMAN|SCN9A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN|SCNBA_HUMAN|SCN8A_HUMAN|SCNAA_HUMAN)
Organism: Homo sapiens
Action type: BLOCKER
Assay: Mechanism of Action; CHEMBL2331043; PROTEIN FAMILY
Drug: dapagliflozin
Target: Sodium/glucose cotransporter 2 (Transporter)
Gene: SLC5A2
UniProt: P31639 (SC5A2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 9.3
Action type: INHIBITOR
Drug: dapagliflozin
Target: Sodium/glucose cotransporter 1 (Transporter)
Gene: SLC5A1
UniProt: P13866 (SC5A1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8.49
Assay: Inhibition of human SGLT2 expressed in african green monkey COS7 cells assessed as inhibition of [14C]-methyl-alpha-D-glucopyranoside uptake after 2 hrs by scintillation counting in presence of 25 % human plasma
Drug: dapagliflozin
Target: Sodium/glucose cotransporter 2 (Transporter)
Gene: Slc5a2
UniProt: P53792 (SC5A2_RAT)
Organism: Rattus norvegicus
Activity: EC50 = 8.52
Assay: Inhibition of rat SGLT2 expressed in CHO cells assessed as inhibition of [14C]AMG accumulation
Drug: dapagliflozin
Target: Sodium/myo-inositol cotransporter 2 (Transporter)
Gene: SLC5A11
UniProt: Q8WWX8 (SC5AB_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.42
Assay: Inhibition of SGLT6 expressed in CHO cells assessed as inhibition of [14C]-alpha-methyl-D-glucopyranoside transport after 60 mins by scintillation counting
Drug: dapagliflozin
Target: Low affinity sodium-glucose cotransporter (Transporter)
Gene: SLC5A4
UniProt: Q9NY91 (SC5A4_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8.87
Assay: Inhibition of human SGLT2 expressed in CHO cells using methyl-alpha-D-glucopyranoside by liquid scintillation counting
Drug: avanafil
Target: cGMP-specific 3',5'-cyclic phosphodiesterase (Enzyme)
Gene: PDE5A
UniProt: O76074 (PDE5A_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8.284
Action type: INHIBITOR
Drug: avanafil
Target: Cone cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha' (Enzyme)
Gene: PDE6C
UniProt: P51160 (PDE6C_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.201
Drug: avanafil
Target: cGMP-specific 3',5'-cyclic phosphodiesterase (Enzyme)
Gene: PDE5A
UniProt: O77746 (PDE5A_CANFA)
Organism: Canis familiaris
Activity: IC50 = 8.28
Drug: lasofoxifene
Target: Estrogen receptor (Transcription factor)
Gene: Esr1|Esr2
UniProt: P06211|Q62986 (ESR1_RAT|ESR2_RAT)
Organism: Rattus norvegicus
Activity: IC50 = 7.95
Assay: Inhibition of estradiol binding to estrogen receptor
Drug: lasofoxifene
Target: Estrogen receptor (Nuclear hormone receptor)
Gene: ESR1
UniProt: P03372 (ESR1_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8.89
Action type: AGONIST
Assay: Binding affinity for human estrogen receptor alpha
Drug: lasofoxifene
Target: Estrogen receptor beta (Nuclear hormone receptor)
Gene: ESR2
UniProt: Q92731 (ESR2_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 8.74
Action type: AGONIST
Assay: Binding affinity for human estrogen receptor beta
Drug: lacosamide
Target: Sodium channel protein type 9 subunit alpha (Ion channel)
Gene: SCN9A
UniProt: Q15858 (SCN9A_HUMAN)
Organism: Homo sapiens
Activity: IC50 = 6.74
Action type: BLOCKER
Assay: Binding affinity to human inactivated voltage-gated Na channel 1.7 expressed in HEK293 cells by patch-clamp technique
Drug: lacosamide
Target: Carbonic anhydrase 2 (Enzyme)
Gene: CA2
UniProt: P00918 (CAH2_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.48
Assay: Inhibition of human recombinant CA2 by stopped flow CO2 hydrase assay
Drug: lacosamide
Target: Carbonic anhydrase 1 (Enzyme)
Gene: CA1
UniProt: P00915 (CAH1_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.44
Assay: Inhibition of human recombinant CA1 by stopped flow CO2 hydrase assay
Drug: lacosamide
Target: Carbonic anhydrase 4 (Enzyme)
Gene: CA4
UniProt: P22748 (CAH4_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.28
Assay: Inhibition of human recombinant CA4 by stopped flow CO2 hydrase assay
Drug: lacosamide
Target: Carbonic anhydrase 9 (Enzyme)
Gene: CA9
UniProt: Q16790 (CAH9_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.45
Assay: Inhibition of human recombinant CA9 by stopped flow CO2 hydrase assay
Drug: lacosamide
Target: Carbonic anhydrase 12 (Enzyme)
Gene: CA12
UniProt: O43570 (CAH12_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.43
Assay: Inhibition of human recombinant CA12 by stopped flow CO2 hydrase assay
Drug: lacosamide
Target: Carbonic anhydrase 5A, mitochondrial (Enzyme)
Gene: CA5A
UniProt: P35218 (CAH5A_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.34
Assay: Inhibition of human recombinant CA5A by stopped flow CO2 hydrase assay
Drug: lacosamide
Target: Carbonic anhydrase 5B, mitochondrial (Enzyme)
Gene: CA5B
UniProt: Q9Y2D0 (CAH5B_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.47
Assay: Inhibition of human recombinant CA5B by stopped flow CO2 hydrase assay
Drug: lacosamide
Target: Carbonic anhydrase 7 (Enzyme)
Gene: CA7
UniProt: P43166 (CAH7_HUMAN)
Organism: Homo sapiens
Activity: Ki = 5.35
Assay: Inhibition of human recombinant CA7 by stopped flow CO2 hydrase assay
Drug: lacosamide
Target: Carbonic anhydrase 3 (Enzyme)
Gene: CA3
UniProt: P07451 (CAH3_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.43
Assay: Inhibition of human recombinant CA3 by stopped flow CO2 hydrase assay
Drug: lacosamide
Target: Carbonic anhydrase 6 (Enzyme)
Gene: CA6
UniProt: P23280 (CAH6_HUMAN)
Organism: Homo sapiens
Activity: Ki = 6.39
Assay: Inhibition of human recombinant CA6 by stopped flow CO2 hydrase assay