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ChEMBL ligand: CHEMBL376488 (Bedaquiline, R207910, R-207910, Sirturo, TMC207, TMC-207) |
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DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
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ATP synthase subunit c in Bacillus sp. (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3308989] [UniProtKB: P00845] | ||||||||
ChEMBL | Binding affinity to Bacillus PS3 ATP synthase subunit c | B | 6.3 | pKd | 500 | nM | Kd | Nat Chem Biol (2007) 3: 323-324 [PMID:17496888] |
Kv11.1/HERG in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL240] [GtoPdb: 572] [UniProtKB: Q12809] | ||||||||
ChEMBL | Inhibition of human ERG | B | 5.8 | pIC50 | 1600 | nM | IC50 | Bioorg Med Chem (2019) 27: 1292-1307 [PMID:30803745] |
ChEMBL | Inhibition of human ERG | B | 5.8 | pIC50 | 1600 | nM | IC50 | Bioorg Med Chem (2020) 28: 115213-115213 [PMID:31810890] |
ChEMBL | Inhibition of human ERG by patch clamp assay | B | 5.8 | pIC50 | 1600 | nM | IC50 | Bioorg Med Chem (2018) 26: 1797-1809 [PMID:29482950] |
ChEMBL | Inhibition of human ERG | B | 5.8 | pIC50 | 1600 | nM | IC50 | ACS Med Chem Lett (2017) 8: 1019-1024 [PMID:29057044] |
ChEMBL | Inhibition of human ERG by manual patch clamp electrophysiology assay | B | 5.8 | pIC50 | 1600 | nM | IC50 | Bioorg Med Chem (2019) 27: 1283-1291 [PMID:30792104] |
ChEMBL | Inhibition of human ERG assessed as prolongation of QT interval | B | 6.43 | pIC50 | 370 | nM | IC50 | Bioorg Med Chem (2018) 26: 1797-1809 [PMID:29482950] |
ChEMBL | Inhibition of human ERG | B | 6.43 | pIC50 | 370 | nM | IC50 | Bioorg Med Chem Lett (2017) 27: 5190-5196 [PMID:29107541] |
ChEMBL | Inhibition of fluorescently labelled tracer binding to human ERG by competitive binding assay | B | 4.82 | pEC50 | 15000 | nM | EC50 | RSC Med Chem (2021) 12: 943-959 [PMID:34223160] |
Putative uncharacterized protein atpE in Mycobacterium smegmatis (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1641346] [UniProtKB: Q5TIX5] | ||||||||
ChEMBL | Inhibition of Mycobacterium smegmatis ATCC 607 ATP synthase subunit c-mediated ATP synthesis after 60 mins by luminometry | B | 7.6 | pIC50 | 25 | nM | IC50 | Nat Chem Biol (2007) 3: 323-324 [PMID:17496888] |
ChEMBL | Inhibition of Mycobacterium smegmatis MC2 155 ATP synthase subunit c-mediated ATP production | B | 8 | pIC50 | 10 | nM | IC50 | Antimicrob Agents Chemother (2009) 53: 1290-1292 [PMID:19075053] |
ChEMBL | Inhibition of Mycobacterium smegmatis MC2 155 ATP synthase subunit c-mediated ATP production at 100 nM | B | 8 | pIC50 | 10 | nM | IC50 | Antimicrob Agents Chemother (2009) 53: 1290-1292 [PMID:19075053] |
ChEMBL | Inhibition of Mycobacterium smegmatis ATCC 607 ATP synthase subunit c-mediated ATP synthesis after 60 mins by luminometry | B | 8.6 | pIC50 | 2.5 | nM | IC50 | Nat Chem Biol (2007) 3: 323-324 [PMID:17496888] |
CoV Replicase polyprotein 1ab/CoV RNA-dependent RNA polymerase/CoV Non-structural protein 15/CoV Non-structural protein 13/Replicase polyprotein 1ab in Severe acute respiratory syndrome coronavirus 2 (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4523582] [GtoPdb: 3125, 3139, 3206, 3261] [UniProtKB: P0DTD1] | ||||||||
ChEMBL | SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate | F | 5.36 | pIC50 | 4360 | nM | IC50 | Identification of inhibitors of SARS-Cov2 M-Pro enzymatic activity using a small molecule repurposing screen |
ChEMBL data shown on this page come from version 32:
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]