[3H]digoxin [Ligand Id: 4725] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL1751 (Digamex, Digoxin, Digoxin pediatric, Digoxinum, Dynamos, Fargoxin, Lanocardin, Lanoxicaps, Lanoxin, Lanoxin-125, Lanoxin pediatric, Lanoxin-pg, Mapluxin, Natigoxin, NSC-95100, Rougoxin, Stillacor-, Toloxin, Vanoxin) |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| sodium/potassium-transporting ATPase subunit β-1/sodium/potassium-transporting ATPase subunit α-4/N+/K+ ATPase alpha-4/beta-1 in Rat (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL4106165] [GtoPdb: 837, 836] [UniProtKB: P07340, Q64541] | ||||||||
| ChEMBL | Inhibition of recombinant rat Na+/K+-ATPase alpha4/beta1 expressed in baculovirus infected insect Sf9 cell membranes using [gamma-32P]ATP as substrate preincubated for 10 mins followed by substrate addition measured after 30 mins in presence of Na+, K+ and Mg2+ by liquid scintillation counting | B | 8.26 | pIC50 | 5.5 | nM | IC50 | J Med Chem (2018) 61: 1800-1820 [PMID:29291372] |
| RAR-related orphan receptor-γ/Nuclear receptor ROR-gamma in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1741186] [GtoPdb: 600] [UniProtKB: P51449] | ||||||||
| ChEMBL | Displacement of [3H]25-hydroxycholesterol from human RORc-LBD expressed in bacterial expression system after 3 hrs by scintillation counting analysis | B | 6.96 | pKd | 109 | nM | Kd | Bioorg Med Chem Lett (2014) 24: 5769-5776 [PMID:25453817] |
| ChEMBL | Competitive inverse agonist activity at human N-terminal His6-tagged RORgammat LBD (265 to 518 residues) expressed in Escherichia coli BL21 (DE3) assessed as inhibition of N-terminal biotinylated co-activator SRC1 box2 peptide recruitment measured after 30 mins in presence of 1 uM RORgamma agonist cholesterol by TR-FRET assay | B | 4.07 | pIC50 | 85400 | nM | IC50 | J Med Chem (2020) 63: 241-259 [PMID:31821760] |
| ChEMBL | Competitive inverse agonist activity at human N-terminal His6-tagged RORgammat LBD (265 to 518 residues) expressed in Escherichia coli BL21 (DE3) assessed as inhibition of N-terminal biotinylated co-activator SRC1 box2 peptide recruitment measured after 30 mins in presence of 0.25 uM RORgamma agonist cholesterol by TR-FRET assay | B | 4.47 | pIC50 | 33620 | nM | IC50 | J Med Chem (2020) 63: 241-259 [PMID:31821760] |
| ChEMBL | Orthosteric inverse agonist activity at 2-chloro-5-nitro-N-(2-(trifluoromethyl)phenyl)benzamide-ligated recombinant human N-terminal His6-tagged RORgammat ligand binding domain (265 to 518 residues) expressed in Escherichia coli BL21 (DE3) assessed as reduction in coactivator, N-terminal biotinylated SRC-1 box2 peptide recruitment in presence of 2-chloro-5-nitro-N-(2-(trifluoromethyl)phenyl)benzamide incubated for 60 mins by TR-FRET assay | B | 5 | pIC50 | >10000 | nM | IC50 | ACS Med Chem Lett (2021) 12: 631-639 [PMID:33854703] |
| ChEMBL | Orthosteric inverse agonist activity at 2-chloro-N-(2,6-dimethylphenyl)-5-nitrobenzamide-ligated recombinant human N-terminal His6-tagged RORgammat ligand binding domain (265 to 518 residues) expressed in Escherichia coli BL21 (DE3) assessed as reduction in coactivator, N-terminal biotinylated SRC-1 box2 peptide recruitment in presence of 2-chloro-N-(2,6-dimethylphenyl)-5-nitrobenzamide incubated for 60 mins by TR-FRET assay | B | 5 | pIC50 | >10000 | nM | IC50 | ACS Med Chem Lett (2021) 12: 631-639 [PMID:33854703] |
| ChEMBL | Orthosteric inverse agonist activity at 2-chloro-5-nitro-N-o-tolylbenzamide-ligated recombinant human N-terminal His6-tagged RORgammat ligand binding domain (265 to 518 residues) expressed in Escherichia coli BL21 (DE3) assessed as reduction in coactivator, N-terminal biotinylated SRC-1 box2 peptide recruitment in presence of 2-chloro-5-nitro-N-o-tolylbenzamide incubated for 60 mins by TR-FRET assay | B | 5 | pIC50 | >10000 | nM | IC50 | ACS Med Chem Lett (2021) 12: 631-639 [PMID:33854703] |
| ChEMBL | Competitive inverse agonist activity at human N-terminal His6-tagged RORgammat LBD (265 to 518 residues) expressed in Escherichia coli BL21 (DE3) assessed as inhibition of N-terminal biotinylated co-activator SRC1 box2 peptide recruitment measured after 30 mins in absence of RORgamma agonist cholesterol by TR-FRET assay | B | 5.15 | pIC50 | 7012 | nM | IC50 | J Med Chem (2020) 63: 241-259 [PMID:31821760] |
| ChEMBL | Displacement of fluorescein-labelled 25-HC from human RoRgamma-LBD by competitive binding assay | B | 5.39 | pIC50 | 4100 | nM | IC50 | J Med Chem (2014) 57: 5871-5892 [PMID:24502334] |
| ChEMBL | Displacement of fluorescein-labeled 25-hydroxycholesterol from human N-terminal 6xHis-tagged ROR gamma LBD (residues 262 to 518) expressed in Escherichia coli BL21-CodonPlus(DE3)-RIL cells by fluorescence polarization assay | B | 5.4 | pIC50 | 4000 | nM | IC50 | Medchemcomm (2013) 4: 764-776 |
| ChEMBL | Orthosteric inverse agonist activity at recombinant human N-terminal His6-tagged RORgammat ligand binding domain (265 to 518 residues) expressed in Escherichia coli BL21 (DE3) assessed as reduction in coactivator, N-terminal biotinylated SRC-1 box2 peptide recruitment incubated for 60 mins by TR-FRET assay | B | 5.64 | pIC50 | 2307 | nM | IC50 | ACS Med Chem Lett (2021) 12: 631-639 [PMID:33854703] |
| ChEMBL | Antagonist activity at transactivation domain of RORgammat (unknown origin) expressed in Drosophila Schneider cells co-expressing Gal4-DNA binding domain | B | 5.7 | pIC50 | 2000 | nM | IC50 | ACS Med Chem Lett (2013) 4: 79-84 [PMID:24040486] |
| ChEMBL | Inhibition of thymus-specific isoform RORgamma (unknown origin) transcriptional activity by luciferase-based cotransfection assay | B | 5.7 | pIC50 | 1980 | nM | IC50 | J Med Chem (2014) 57: 5871-5892 [PMID:24502334] |
| RAR-related orphan receptor-γ/Nuclear receptor ROR-gamma in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1293231] [GtoPdb: 600] [UniProtKB: P51450] | ||||||||
| ChEMBL | Inhibition of mouse Gal4 DNA binding domain-fused ROR gamma expressed in Drosophila S2 cells assessed as inhibition of transcriptional activity by luciferase reporter assay | B | 5.7 | pIC50 | 2000 | nM | IC50 | Medchemcomm (2013) 4: 764-776 |
| ABCB1/P-glycoprotein 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4302] [GtoPdb: 768] [UniProtKB: P08183] | ||||||||
| ChEMBL | Inhibition of P-glycoprotein using calcein-AM assay transfected in porcine PBCEC | F | 4.3 | pIC50 | >50000 | nM | IC50 | J Med Chem (2003) 46: 1716-1725 [PMID:12699389] |
| ChEMBL | Inhibition of P-glycoprotein, human L-MDR1 expressed in LLC-PK1 epithelial cells using calcein-AM polarisation assay | F | 4.3 | pIC50 | >50000 | nM | IC50 | J Med Chem (2003) 46: 1716-1725 [PMID:12699389] |
| ChEMBL | TP_TRANSPORTER: inhibition of Calcein-AM efflux in MDR1-expressing LLC-PK1 cells | F | 4.3 | pIC50 | >50000 | nM | IC50 | J Med Chem (2003) 46: 1716-1725 [PMID:12699389] |
| P-glycoprotein 1 in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3467] [UniProtKB: P06795] | ||||||||
| ChEMBL | Inhibition of P-glycoprotein, mouse L-mdr1b expressed in LLC-PK1 epithelial cells using calcein-AM polarisation assay | F | 4.3 | pIC50 | >50000 | nM | IC50 | J Med Chem (2003) 46: 1716-1725 [PMID:12699389] |
| ChEMBL | TP_TRANSPORTER: inhibition of Calcein-AM efflux in Mdr1b-expressing LLC-PK1 cells | F | 4.3 | pIC50 | >50000 | nM | IC50 | J Med Chem (2003) 46: 1716-1725 [PMID:12699389] |
| ABCB1/P-glycoprotein 3 in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2573] [GtoPdb: 768] [UniProtKB: P21447] | ||||||||
| ChEMBL | Inhibition of P-glycoprotein, mouse L-mdr1a expressed in LLC-PK1 epithelial cells using calcein-AM polarisation assay | F | 4.3 | pIC50 | >50000 | nM | IC50 | J Med Chem (2003) 46: 1716-1725 [PMID:12699389] |
| ChEMBL | TP_TRANSPORTER: inhibition of Calcein-AM efflux in Mdr1a-expressing LLC-PK1 cells | F | 4.3 | pIC50 | >50000 | nM | IC50 | J Med Chem (2003) 46: 1716-1725 [PMID:12699389] |
| sodium/potassium-transporting ATPase subunit α-1/sodium/potassium-transporting ATPase subunit β-1/sodium/potassium-transporting ATPase subunit α-3/sodium/potassium-transporting ATPase subunit β-2/sodium/potassium-transporting ATPase subunit α-2/sodium/potassium-transporting ATPase subunit β-3/sodium/potassium-transporting ATPase subunit γ/sodium/potassium-transporting ATPase subunit α-4/Sodium/potassium-transporting ATPase in Human (target type: PROTEIN COMPLEX GROUP) [ChEMBL: CHEMBL2095186] [GtoPdb: 833, 837, 835, 838, 834, 839, 2610, 836] [UniProtKB: P05023, P05026, P13637, P14415, P50993, P54709, P54710, Q13733] | ||||||||
| ChEMBL | Inhibitory activity against Na+/K+ ATPase was determined | B | 6.4 | pIC50 | 400 | nM | IC50 | J Med Chem (2003) 46: 3644-3654 [PMID:12904068] |
| ChEMBL | Inhibition of human Na+/K+-ATPase assessed as reduction in inorganic phosphate release from ATP incubated for 15 mins followed by ATP addition measured over 15 mins in presence of Na+/K+ by colorimetric method | B | 6.57 | pIC50 | 270 | nM | IC50 | Bioorg Med Chem Lett (2018) 28: 2885-2889 [PMID:30049579] |
| sodium/potassium-transporting ATPase subunit α-1/Sodium/potassium-transporting ATPase alpha-1 chain in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1807] [GtoPdb: 833] [UniProtKB: P05023] | ||||||||
| ChEMBL | Inhibition of human kidney Na(+)/K(+) ATPase alpha-1 assessed as amount of Pi release after 1 hr by colorimetric method | B | 6.54 | pIC50 | 290 | nM | IC50 | Bioorg Med Chem (2015) 23: 4397-4404 [PMID:26122772] |
| Sodium/potassium-transporting ATPase alpha-1 chain in Dog (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4838] [UniProtKB: P50997] | ||||||||
| ChEMBL | Inhibition of Na+/K+ ATPase from dog kidney | B | 6.3 | pIC50 | 500 | nM | IC50 | J Med Chem (1997) 40: 3484-3488 [PMID:9341924] |
| ChEMBL | In vitro inhibitory concentration against dog kidney Na+,K+-ATPase | B | 6.3 | pIC50 | 500 | nM | IC50 | J Med Chem (2000) 43: 2332-2349 [PMID:10882359] |
| sodium/potassium-transporting ATPase subunit α-2/sodium/potassium-transporting ATPase subunit α-3/Sodium/potassium-transporting ATPase subunit alpha-2/alpha-3 in Rat (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL3885640] [GtoPdb: 834, 835] [UniProtKB: P06686, P06687] | ||||||||
| ChEMBL | Inhibition of Wistar rat brain Na(+)/K(+) ATPase alpha-2/3 assessed as amount of Pi release after 1 hr by colorimetric method | B | 6.66 | pIC50 | 220 | nM | IC50 | Bioorg Med Chem (2015) 23: 4397-4404 [PMID:26122772] |
| Solute carrier organic anion transporter family member 1A4 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1781860] [UniProtKB: O35913] | ||||||||
| ChEMBL | TP_TRANSPORTER: inhibition of Taurocholate uptake in Oatp2-expressing LLC-PK1 cells | F | 6.24 | pKi | 580 | nM | Ki | Drug Metab Dispos (2002) 30: 220-223 [PMID:11792694] |
| ChEMBL | TP_TRANSPORTER: inhibition of E217betaG uptake in Oatp2-expressing LLC-PK1 cells | F | 7.43 | pKi | 37 | nM | Ki | J Pharmacol Exp Ther (2001) 298: 316-322 [PMID:11408557] |
ChEMBL data shown on this page come from version 33:
Mendez D, Gaulton A, Bento AP, Chambers J, De Veij M, Félix E, Magariños MP, Mosquera JF, Mutowo P, Nowotka M, Gordillo-Marañón M, Hunter F, Junco L, Mugumbate G, Rodriguez-Lopez M, Atkinson F, Bosc N, Radoux CJ, Segura-Cabrera A, Hersey A, Leach AR. (2019) 'ChEMBL: towards direct deposition of bioassay data' Nucleic Acids Res., 47(D1). DOI: 10.1093/nar/gky1075. [EPMCID:30398643]
Davies M, Nowotka M, Papadatos G, Dedman N, Gaulton A, Atkinson F, Bellis L, Overington JP. (2015) 'ChEMBL web services: streamlining access to drug discovery data and utilities.' Nucleic Acids Res., 43(W1). DOI: 10.1093/nar/gkv352. [EPMCID:25883136]
