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ChEMBL ligand: CHEMBL376488 (Bedaquiline, R-207910, R207910, Sirturo, TMC-207, TMC207) |
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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 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]