[3H]digoxin [Ligand Id: 4725] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL1751 (Digamex, Digoxin, Digoxina, Digoxine, 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 |
|---|---|---|---|---|---|---|---|---|
| ABCB1/ATP-dependent translocase ABCB1 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] |
| ABCB1/ATP-dependent translocase ABCB1 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 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-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 | 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 | 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] |
| ChEMBL | Antagonist activity at RORgammat LBD (unknown origin) LBD | B | 5.74 | pIC50 | 1800 | nM | IC50 | Eur J Med Chem (2023) 247: 115039-115039 [PMID:36566711] |
| 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 |
| 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] |
| ChEMBL | Inhibition of NA+/K+ ATPase (unknown origin) activity incubated for 15 mins in presence of ATP by ADP-Glo assay | B | 6.8 | pIC50 | 160 | nM | IC50 | J Nat Prod (2023) 86: 1411-1419 [PMID:37216676] |
| sodium/potassium-transporting ATPase subunit α-1/Sodium/potassium-transporting ATPase subunit alpha-1 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 subunit alpha-1 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-1/sodium/potassium-transporting ATPase subunit β-1/Sodium/potassium-transporting ATPase subunit alpha-1/beta-1 in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL6066559] [GtoPdb: 833, 837] [UniProtKB: P05023, P05026] | ||||||||
| ChEMBL | Selective Inhibition Assays of Isolated Na,K-ATPase: To screen for isoform selectivity of the digoxin derivatives we compared inhibition of Na,K-ATPase activity of purified detergent-soluble human isoform complexes α1β1FXYD1, α2β1FXYD1, α2β2FXTD1 and α2β3FXYD1. Although all the preparations and assays were conducted with FXYD1 in order to stabilize the complexes, the FXYD1 suffix is omitted in naming of isoform complexes for simplicity.Na,K-ATPase activity of α/βPFXYD1 complexes was measured over one hour at 37° C. in a medium containing 130 mM NaCl, 5 mM KCl, 3 mM MgCl2, 1 mM EGTA, 25 mM Histidine, pH 7.4 and 1 mM ATP using the PiColor Lock gold malachite green assay (Inova Biosciences).The Na,K-ATPase activities were α1β1, 21.5±5.3 μmoles/min/mg; α2β1, 18.7±1.8 μmoles/min/mg, and α2β3, 10.7±1.9 μmoles/min/mg protein. As discussed below, an important kinetic property in relation to inhibition by cardiac glycosides is K0.5 for activation by K: α1β1-1.25±0.05 mM, α2β1-2.7±0.14 mM and α2β3 6.4±0.50 mM, respectively.Selectivity of the compounds for various isolated isoforms of human Na,K-ATPase was determined essentially as described before [Katz, A. et al., J Biol Chem., 2010, 285(25), pp. 19582-19592].ATPase activity assays as well as titrations with NaCl, KCl and vanadate were performed as described in Lifshitz-2007 and Loayza-1998 using PiColorLock malachite green assay (Inova Bioscience). Inhibitor assays were performed as described in Katz-2010. [3H]ouabain binding and K+-[3H]digoxin displacement assays were performed as described in Katz-2010.The percent inhibition VCG/V0 was calculated and Ki values were obtained by fitting the data to the function VCG/V0=Ki/([CG]+Ki)+c (CG stands for cardiac glycoside). Inhibition was estimated in 3-5 separate experiments and average Ki values±standard error of the mean (SEM) were calculated. The ratios Ki α1β1/α2β1, α1β1/α2β2 and α1β1/α2β3 was calculated for each compound. | B | 6.57 | pKi | 268 | nM | Ki | US-10668094-B2. Selective inhibitors of Alpha2-containing isoforms of Na,K-ATPase and use thereof for reduction of intraocular pressure (2020) |
| 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] |
| sodium/potassium-transporting ATPase subunit β-1/sodium/potassium-transporting ATPase subunit α-2/Sodium/potassium-transporting ATPase subunit alpha-2/beta-1 in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL6066560] [GtoPdb: 837, 834] [UniProtKB: P05026, P50993] | ||||||||
| ChEMBL | Selective Inhibition Assays of Isolated Na,K-ATPase: To screen for isoform selectivity of the digoxin derivatives we compared inhibition of Na,K-ATPase activity of purified detergent-soluble human isoform complexes α1β1FXYD1, α2β1FXYD1, α2β2FXTD1 and α2β3FXYD1. Although all the preparations and assays were conducted with FXYD1 in order to stabilize the complexes, the FXYD1 suffix is omitted in naming of isoform complexes for simplicity.Na,K-ATPase activity of α/βPFXYD1 complexes was measured over one hour at 37° C. in a medium containing 130 mM NaCl, 5 mM KCl, 3 mM MgCl2, 1 mM EGTA, 25 mM Histidine, pH 7.4 and 1 mM ATP using the PiColor Lock gold malachite green assay (Inova Biosciences).The Na,K-ATPase activities were α1β1, 21.5±5.3 μmoles/min/mg; α2β1, 18.7±1.8 μmoles/min/mg, and α2β3, 10.7±1.9 μmoles/min/mg protein. As discussed below, an important kinetic property in relation to inhibition by cardiac glycosides is K0.5 for activation by K: α1β1-1.25±0.05 mM, α2β1-2.7±0.14 mM and α2β3 6.4±0.50 mM, respectively.Selectivity of the compounds for various isolated isoforms of human Na,K-ATPase was determined essentially as described before [Katz, A. et al., J Biol Chem., 2010, 285(25), pp. 19582-19592].ATPase activity assays as well as titrations with NaCl, KCl and vanadate were performed as described in Lifshitz-2007 and Loayza-1998 using PiColorLock malachite green assay (Inova Bioscience). Inhibitor assays were performed as described in Katz-2010. [3H]ouabain binding and K+-[3H]digoxin displacement assays were performed as described in Katz-2010.The percent inhibition VCG/V0 was calculated and Ki values were obtained by fitting the data to the function VCG/V0=Ki/([CG]+Ki)+c (CG stands for cardiac glycoside). Inhibition was estimated in 3-5 separate experiments and average Ki values±standard error of the mean (SEM) were calculated. The ratios Ki α1β1/α2β1, α1β1/α2β2 and α1β1/α2β3 was calculated for each compound. | B | 7.23 | pKi | 58.7 | nM | Ki | US-10668094-B2. Selective inhibitors of Alpha2-containing isoforms of Na,K-ATPase and use thereof for reduction of intraocular pressure (2020) |
| sodium/potassium-transporting ATPase subunit β-2/sodium/potassium-transporting ATPase subunit α-2/Sodium/potassium-transporting ATPase subunit alpha-2/beta-2 in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL6066561] [GtoPdb: 838, 834] [UniProtKB: P14415, P50993] | ||||||||
| ChEMBL | Selective Inhibition Assays of Isolated Na,K-ATPase: To screen for isoform selectivity of the digoxin derivatives we compared inhibition of Na,K-ATPase activity of purified detergent-soluble human isoform complexes α1β1FXYD1, α2β1FXYD1, α2β2FXTD1 and α2β3FXYD1. Although all the preparations and assays were conducted with FXYD1 in order to stabilize the complexes, the FXYD1 suffix is omitted in naming of isoform complexes for simplicity.Na,K-ATPase activity of α/βPFXYD1 complexes was measured over one hour at 37° C. in a medium containing 130 mM NaCl, 5 mM KCl, 3 mM MgCl2, 1 mM EGTA, 25 mM Histidine, pH 7.4 and 1 mM ATP using the PiColor Lock gold malachite green assay (Inova Biosciences).The Na,K-ATPase activities were α1β1, 21.5±5.3 μmoles/min/mg; α2β1, 18.7±1.8 μmoles/min/mg, and α2β3, 10.7±1.9 μmoles/min/mg protein. As discussed below, an important kinetic property in relation to inhibition by cardiac glycosides is K0.5 for activation by K: α1β1-1.25±0.05 mM, α2β1-2.7±0.14 mM and α2β3 6.4±0.50 mM, respectively.Selectivity of the compounds for various isolated isoforms of human Na,K-ATPase was determined essentially as described before [Katz, A. et al., J Biol Chem., 2010, 285(25), pp. 19582-19592].ATPase activity assays as well as titrations with NaCl, KCl and vanadate were performed as described in Lifshitz-2007 and Loayza-1998 using PiColorLock malachite green assay (Inova Bioscience). Inhibitor assays were performed as described in Katz-2010. [3H]ouabain binding and K+-[3H]digoxin displacement assays were performed as described in Katz-2010.The percent inhibition VCG/V0 was calculated and Ki values were obtained by fitting the data to the function VCG/V0=Ki/([CG]+Ki)+c (CG stands for cardiac glycoside). Inhibition was estimated in 3-5 separate experiments and average Ki values±standard error of the mean (SEM) were calculated. The ratios Ki α1β1/α2β1, α1β1/α2β2 and α1β1/α2β3 was calculated for each compound. | B | 7.24 | pKi | 58 | nM | Ki | US-10668094-B2. Selective inhibitors of Alpha2-containing isoforms of Na,K-ATPase and use thereof for reduction of intraocular pressure (2020) |
| sodium/potassium-transporting ATPase subunit α-2/sodium/potassium-transporting ATPase subunit β-3/Sodium/potassium-transporting ATPase subunit alpha-2/beta-3 in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL6066562] [GtoPdb: 834, 839] [UniProtKB: P50993, P54709] | ||||||||
| ChEMBL | Selective Inhibition Assays of Isolated Na,K-ATPase: To screen for isoform selectivity of the digoxin derivatives we compared inhibition of Na,K-ATPase activity of purified detergent-soluble human isoform complexes α1β1FXYD1, α2β1FXYD1, α2β2FXTD1 and α2β3FXYD1. Although all the preparations and assays were conducted with FXYD1 in order to stabilize the complexes, the FXYD1 suffix is omitted in naming of isoform complexes for simplicity.Na,K-ATPase activity of α/βPFXYD1 complexes was measured over one hour at 37° C. in a medium containing 130 mM NaCl, 5 mM KCl, 3 mM MgCl2, 1 mM EGTA, 25 mM Histidine, pH 7.4 and 1 mM ATP using the PiColor Lock gold malachite green assay (Inova Biosciences).The Na,K-ATPase activities were α1β1, 21.5±5.3 μmoles/min/mg; α2β1, 18.7±1.8 μmoles/min/mg, and α2β3, 10.7±1.9 μmoles/min/mg protein. As discussed below, an important kinetic property in relation to inhibition by cardiac glycosides is K0.5 for activation by K: α1β1-1.25±0.05 mM, α2β1-2.7±0.14 mM and α2β3 6.4±0.50 mM, respectively.Selectivity of the compounds for various isolated isoforms of human Na,K-ATPase was determined essentially as described before [Katz, A. et al., J Biol Chem., 2010, 285(25), pp. 19582-19592].ATPase activity assays as well as titrations with NaCl, KCl and vanadate were performed as described in Lifshitz-2007 and Loayza-1998 using PiColorLock malachite green assay (Inova Bioscience). Inhibitor assays were performed as described in Katz-2010. [3H]ouabain binding and K+-[3H]digoxin displacement assays were performed as described in Katz-2010.The percent inhibition VCG/V0 was calculated and Ki values were obtained by fitting the data to the function VCG/V0=Ki/([CG]+Ki)+c (CG stands for cardiac glycoside). Inhibition was estimated in 3-5 separate experiments and average Ki values±standard error of the mean (SEM) were calculated. The ratios Ki α1β1/α2β1, α1β1/α2β2 and α1β1/α2β3 was calculated for each compound. | B | 7.37 | pKi | 42.8 | nM | Ki | US-10668094-B2. Selective inhibitors of Alpha2-containing isoforms of Na,K-ATPase and use thereof for reduction of intraocular pressure (2020) |
| 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 36:
Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR. (2024). The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res., 52(D1). DOI: 10.1093/nar/gkad1004. [EPMCID:10767899] [PMID:37933841]
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]
