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ChEMBL ligand: CHEMBL1096979 (Benserazide, Benserazide (as hydrochloride), Benserazide hcl, Benserazide hydrochloride, NSC-755907, RO 4-4602, RO-4-4602, Serazide) |
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DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
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Genome polyprotein in Coxsackievirus B3 (strain Nancy) (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2396505] [UniProtKB: P03313] | ||||||||
ChEMBL | Inhibition of recombinant Coxsackievirus B3 3C protease expressed in Escherichia coli BL21 (DE3) preincubated for 5 mins followed by addition of NMA-EALFQGPPVK-DNP-rrr-NH2 as substrate measured every 10 mins for 2 hrs by FRET-based enzyme assay | B | 5.62 | pIC50 | 2400 | nM | IC50 | Eur J Med Chem (2016) 120: 202-216 [PMID:27191615] |
Hexokinase type II in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2640] [UniProtKB: P52789] | ||||||||
ChEMBL | Inhibition of HK2 (unknown origin) using glucose-6-phosphate dehydrogenase as substrate preincubated for 10 mins followed by substrate addition | B | 5.26 | pIC50 | 5520 | nM | IC50 | J Nat Prod (2019) 82: 1114-1119 [PMID:31013087] |
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 | 6.85 | pIC50 | 140 | nM | IC50 | Identification of inhibitors of SARS-Cov2 M-Pro enzymatic activity using a small molecule repurposing screen |
Cystathionine β-synthase in Human [GtoPdb: 1443] [UniProtKB: P35520] | ||||||||
GtoPdb | - | - | 4.52 | pIC50 | ~30000 | nM | IC50 | Pharmacol Res (2016) 113: 18-37 [PMID:27521834] |
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]