E4031 [Ligand Id: 2605] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL327980 (E-4031)
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  • Kv10.1 in Human [GtoPdb: 570] [UniProtKB: O95259]
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  • Kv11.2 in Rat [GtoPdb: 573] [UniProtKB: O54853]
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  • Kv11.3 in Rat [GtoPdb: 574] [UniProtKB: O54852]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
Kv11.1/HERG in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL240] [GtoPdb: 572] [UniProtKB: Q12809]
ChEMBL Inhibition of tracer Red binding to human ERG expressed in membranes after 3 hrs by fluorescence polarization assay B 6.52 pIC50 <300 nM IC50 J Med Chem (2019) 62: 4638-4655 [PMID:30998358]
ChEMBL Inhibition of human ERG expressed in cell membranes after 4 hrs by fluorescence polarization assay B 7.15 pIC50 70 nM IC50 Bioorg Med Chem (2016) 24: 2954-2963 [PMID:27229618]
ChEMBL Inhibition of human ERG expressed in HEK293 cells by patch clamp assay B 7.57 pIC50 27 nM IC50 J Med Chem (2020) 63: 4506-4516 [PMID:32298114]
ChEMBL Inhibition of human ERG incubated for 3 hrs by competitive fluorescence tracer binding based assay B 7.62 pIC50 24.2 nM IC50 Eur J Med Chem (2021) 224: 113674-113674 [PMID:34237622]
ChEMBL Inhibition of human ERG expressed in CHOK1 cells assessed as inhibition of tail current after 5 mins by automated whole-cell patch clamp assay B 7.62 pIC50 24 nM IC50 Eur J Med Chem (2016) 117: 256-268 [PMID:27105029]
ChEMBL Inhibition of human ERG channel in HEK293 cells by voltage-clamp method B 7.64 pIC50 22.91 nM IC50 Eur J Med Chem (2008) 43: 2479-2488 [PMID:18262683]
ChEMBL Inhibition of human ERG incubated for 4 hrs by competitive fluorescence tracer binding based assay B 7.68 pIC50 21 nM IC50 Eur J Med Chem (2019) 183: 111684-111684 [PMID:31520926]
ChEMBL Inhibitory concentration against IKr potassium channel B 7.7 pIC50 20 nM IC50 Bioorg Med Chem Lett (2004) 14: 4771-4777 [PMID:15324906]
ChEMBL Inhibition of human Potassium channel HERG expressed in mammalian cells B 7.7 pIC50 19.95 nM IC50 Bioorg Med Chem Lett (2003) 13: 2773-2775 [PMID:12873512]
ChEMBL Inhibition of human ERG expressed in CHO cells by whole cell patch clamp technique B 7.7 pIC50 19.95 nM IC50 Bioorg Med Chem (2008) 16: 6252-6260 [PMID:18448342]
ChEMBL Inhibitory concentration against potassium channel HERG B 7.7 pIC50 19.95 nM IC50 Bioorg Med Chem Lett (2005) 15: 2886-2890 [PMID:15911273]
ChEMBL Inhibition of human ERG B 7.92 pIC50 12.02 nM IC50 Eur J Med Chem (2011) 46: 618-630 [PMID:21185626]
GtoPdb - - 8.1 pIC50 7.7 nM IC50 Biophys J (1998) 74: 230-41 [PMID:9449325]
ChEMBL Inhibition of fluorescently labeled tracer binding to human ERG by competitive binding assay B 8.11 pIC50 7.82 nM IC50 Eur J Med Chem (2019) 175: 107-113 [PMID:31077996]
ChEMBL Inhibition of human ERG in MCF7 cells B 8.11 pIC50 7.76 nM IC50 Eur J Med Chem (2009) 44: 1926-1932 [PMID:19110341]
ChEMBL K+ channel blocking activity in human embryonic kidney cells expressing HERG Kv11.1 F 8.11 pIC50 7.7 nM IC50 J Med Chem (2002) 45: 3844-3853 [PMID:12190308]
ChEMBL Inhibition of human ERG by fluorescently labeled tracer binding method B 8.92 pIC50 1.2 nM IC50 J Med Chem (2017) 60: 9205-9221 [PMID:29091425]
ChEMBL Inhibition of human ERG assessed as reduction of tail current B 7.6 pEC50 25 nM EC50 Eur J Med Chem (2015) 101: 627-639 [PMID:26204510]
Kv11.1 in Rat [GtoPdb: 572] [UniProtKB: O08962]
GtoPdb - - 7 pKd - - - J Neurosci (1997) 17: 9423-32 [PMID:9390998]
Kv10.1 in Human [GtoPdb: 570] [UniProtKB: O95259]
GtoPdb - - 6.4 pIC50 - - - Br J Pharmacol (2003) 138: 161-71 [PMID:12522086]
Kv11.2 in Rat [GtoPdb: 573] [UniProtKB: O54853]
GtoPdb - - 6.9 pKd - - - J Neurosci (1997) 17: 9423-32 [PMID:9390998]
Kv11.3 in Rat [GtoPdb: 574] [UniProtKB: O54852]
GtoPdb - - 6.7 pKd - - - J Neurosci (1997) 17: 9423-32 [PMID:9390998]

ChEMBL data shown on this page come from version 34:

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]