boceprevir [Ligand Id: 7876] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL218394 (Boceprevir, EBP 520, EBP-520, SCH 503034, SCH-503034, Sch 50304, Victrelis) |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| cathepsin B/Cathepsin B in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4072] [GtoPdb: 2343] [UniProtKB: P07858] | ||||||||
| ChEMBL | Inhibition of human CatB after 60 mins fluorescence assay | B | 5.21 | pIC50 | 6200 | nM | IC50 | Antimicrob Agents Chemother (2010) 54: 4611-4618 [PMID:20823284] |
| ChEMBL | Inhibition of human Cathepsin B | B | 5.48 | pIC50 | >3300 | nM | IC50 | Antimicrob Agents Chemother (2010) 54: 305-311 [PMID:19841155] |
| cathepsin F/Cathepsin F in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2517] [GtoPdb: 2347] [UniProtKB: Q9UBX1] | ||||||||
| ChEMBL | Inhibition of human Cathepsin F | B | 5.96 | pIC50 | 1100 | nM | IC50 | Antimicrob Agents Chemother (2010) 54: 305-311 [PMID:19841155] |
| cathepsin K/Cathepsin K in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL268] [GtoPdb: 2350] [UniProtKB: P43235] | ||||||||
| ChEMBL | Inhibition of human Cathepsin K | B | 7.4 | pIC50 | 40 | nM | IC50 | Antimicrob Agents Chemother (2010) 54: 305-311 [PMID:19841155] |
| cathepsin V/Cathepsin L2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3272] [GtoPdb: 2352] [UniProtKB: O60911] | ||||||||
| ChEMBL | Inhibition of human Cathepsin V | B | 7.12 | pIC50 | 75 | nM | IC50 | Antimicrob Agents Chemother (2010) 54: 305-311 [PMID:19841155] |
| cathepsin S/Cathepsin S in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2954] [GtoPdb: 2353] [UniProtKB: P25774] | ||||||||
| ChEMBL | Inhibition of human cathepsin S | B | 4 | pIC50 | >100000 | nM | IC50 | Bioorg Med Chem Lett (2013) 23: 6325-6330 [PMID:24135727] |
| ChEMBL | Inhibition of human Cathepsin S | B | 6.92 | pIC50 | 120 | nM | IC50 | Antimicrob Agents Chemother (2010) 54: 305-311 [PMID:19841155] |
| chymase 1/Chymase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4068] [GtoPdb: 2340] [UniProtKB: P23946] | ||||||||
| ChEMBL | Inhibition of human Chymase | B | 7.49 | pIC50 | 32 | nM | IC50 | Antimicrob Agents Chemother (2010) 54: 305-311 [PMID:19841155] |
| chymotrypsin like elastase 1/Chymotrypsin-like elastase family member 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3000] [GtoPdb: 2338] [UniProtKB: Q9UNI1] | ||||||||
| ChEMBL | Inhibition of human Pancreatic elastase 1 | B | 5 | pIC50 | >10000 | nM | IC50 | Antimicrob Agents Chemother (2010) 54: 305-311 [PMID:19841155] |
| Hepatitis C virus serine protease, NS3/NS4A in Hepatitis C virus (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL2095231] [UniProtKB: A3EZI9, D2K2A8] | ||||||||
| ChEMBL | Inhibition of HCV genotype 1a NS3/4A protease using Ac-DED(Edans)EEAbu-psi[COO]ASK(Dabcyl)-NH2 as substrate by FRET assay | B | 7.85 | pKi | 14 | nM | Ki | Bioorg Med Chem (2014) 22: 6595-6615 [PMID:25456385] |
| elastase, neutrophil expressed/Neutrophil elastase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL248] [GtoPdb: 2358] [UniProtKB: P08246] | ||||||||
| ChEMBL | Inhibition of human neutrophil elastase | B | 4 | pIC50 | >=100000 | nM | IC50 | Bioorg Med Chem Lett (2013) 23: 6325-6330 [PMID:24135727] |
| ChEMBL | Inhibition of human leukocyte elastase after 60 mins fluorescence assay | B | 4.77 | pIC50 | 17000 | nM | IC50 | Antimicrob Agents Chemother (2010) 54: 4611-4618 [PMID:20823284] |
| ChEMBL | Inhibition of human Neutrophil elastase 2 | B | 5 | pIC50 | >10000 | nM | IC50 | Antimicrob Agents Chemother (2010) 54: 305-311 [PMID:19841155] |
| Non-structural protein 4b in Hepacivirus hominis (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6066153] [UniProtKB: F5B4I0] | ||||||||
| ChEMBL | Binding affinity to Hepatitis C virus genotype 1a NS4B assessed as inhibition constant | B | 8.22 | pKi | 6 | nM | Ki | J Med Chem (2024) 67: 885-921 [PMID:38179950] |
| ChEMBL | Binding affinity to Hepatitis C virus genotype 2b NS4B assessed as inhibition constant | B | 8.22 | pKi | 6 | nM | Ki | J Med Chem (2024) 67: 885-921 [PMID:38179950] |
| ChEMBL | Binding affinity to Hepatitis C virus genotype 3a NS4B assessed as inhibition constant | B | 8.22 | pKi | 6 | nM | Ki | J Med Chem (2024) 67: 885-921 [PMID:38179950] |
| NS3 in Hepatitis C virus (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1293269] [UniProtKB: A3EZJ3] | ||||||||
| ChEMBL | Binding affinity at HCV NS3 protease | B | 7.85 | pKi | 14 | nM | Ki | J Med Chem (2006) 49: 6074-6086 [PMID:17004721] |
| plasminogen/Plasminogen in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1801] [GtoPdb: 2394] [UniProtKB: P00747] | ||||||||
| ChEMBL | Inhibition of human plasmin | B | 4 | pIC50 | >100000 | nM | IC50 | Bioorg Med Chem Lett (2013) 23: 6325-6330 [PMID:24135727] |
| cathepsin L/Procathepsin L in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3837] [GtoPdb: 2351] [UniProtKB: P07711] | ||||||||
| ChEMBL | Inhibition of human Cathepsin L | B | 6.12 | pIC50 | 760 | nM | IC50 | Antimicrob Agents Chemother (2010) 54: 305-311 [PMID:19841155] |
| coagulation factor II, thrombin/Prothrombin in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL204] [GtoPdb: 2362] [UniProtKB: P00734] | ||||||||
| ChEMBL | Inhibition of human thrombin | B | 6 | pIC50 | <1000 | nM | IC50 | Bioorg Med Chem Lett (2013) 23: 6325-6330 [PMID:24135727] |
| CoV 3C-like (main) protease/CoV Replicase polyprotein 1a in SARS-CoV-2 [GtoPdb: 3111, 3124] [UniProtKB: P0DTC1] | ||||||||
| GtoPdb | Inhibition of recombinat enzyme in vitro. | - | 5.93 | pKi | 1180 | nM | Ki | Cell Res (2020) 30: 678-692 [PMID:32541865] |
| GtoPdb | - | - | 5.38 | pIC50 | 4130 | nM | IC50 | Cell Res (2020) 30: 678-692 [PMID:32541865] |
| CoV 3C-like (main) protease/CoV Replicase polyprotein 1a/Replicase polyprotein 1a in Severe acute respiratory syndrome-related coronavirus (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3927] [GtoPdb: 3111, 3124] [UniProtKB: P0C6U8] | ||||||||
| ChEMBL | Inhibition of SARS-CoV MPro transfected in Escherichia coli BL21 (DE3) using Dabcyl-KTSAVLQSGFRKM-E(Edans)-NH2 as substrate preincubated for 15 mins followed by substrate addition measured after 30 mins by FRET assay | B | 5.18 | pIC50 | 6630 | nM | IC50 | Eur J Med Chem (2023) 260: 115772-115772 [PMID:37659195] |
| 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 | Binding affinity to NT650-labeled recombinant SARS CoV-2 MPro assessed as protein stability by measuring dissociation constant by MST analysis | B | 5.08 | pKd | 8370 | nM | Kd | Eur J Med Chem (2024) 268: 116202-116202 [PMID:38394929] |
| ChEMBL | Binding affinity to SARS-CoV-2 Main protease assessed as inhibition constant | B | 5.93 | pKi | 1180 | nM | Ki | J Med Chem (2022) 65: 12500-12534 [PMID:36169610] |
| ChEMBL | Inhibition of C-terminal His tagged SARS CoV-2 main protease transfected in Escherichia coli BL21 (DE3) using 2-Abz-Ser-AlaVal-Leu-Gln-Ser-Gly-Tyr(3-NO2)-Arg-OH as substrate preincubated for 15 mins followed by substrate addition and measured after 15 mins by FRET assay | B | 4.76 | pIC50 | 17200 | nM | IC50 | Eur J Med Chem (2022) 240: 114585-114585 [PMID:35863275] |
| ChEMBL | Inhibition of His6-tagged SARS-CoV-2 main protease expressed in Escherichia coli BL21 (DE3) using DABCYL-KTSAVLQ1SGFRKM-E(EDANS)-NH2 as substrate preincubated for 15 mins followed by substrate addition in presence of Triton-X by FRET analysis | B | 4.92 | pIC50 | 12100 | nM | IC50 | Bioorg Med Chem Lett (2022) 72: 128867-128867 [PMID:35760254] |
| ChEMBL | Inhibition of SARS-CoV-2 MPro using Dabcyl-KTSAVLQSGFRKME-Edans as substrate preincubated for 30 mins followed by substrate addition measured after 15 mins by FRET assay | B | 5.1 | pIC50 | 8000 | nM | IC50 | Eur J Med Chem (2023) 260: 115772-115772 [PMID:37659195] |
| ChEMBL | Inhibition of SARS-CoV2 BetaCoV/Wuhan/WIV04/2019 main protease expressed in Escherichia coli BL21 (DE3) cells using Dabcyl-KTSAVLQ/SGFRKME (Edans) as substrate incubated for 1 hrs by FRET-based method | B | 5.1 | pIC50 | 8000 | nM | IC50 | Eur J Med Chem (2022) 240: 114596-114596 [PMID:35839690] |
| ChEMBL | Inhibition of N-terminal recombinant SARS-CoV2 main protease expressed in Escherichia coli BL21 (DE3) cells using Dabcyl-TSAVLQ-SGFRKMK-Edans as substrate incubated for 1 hrs by fluorescence based assay | B | 5.38 | pIC50 | 4200 | nM | IC50 | Eur J Med Chem (2022) 240: 114596-114596 [PMID:35839690] |
| ChEMBL | Inhibition of SARS-CoV-2 MPro | B | 5.38 | pIC50 | 4130.48 | nM | IC50 | Bioorg Med Chem (2021) 29: 115860-115860 [PMID:33191083] |
| ChEMBL | Inhibition of SARS-CoV-2 MPro | B | 5.38 | pIC50 | 4130 | nM | IC50 | Bioorg Med Chem (2021) 29: 115860-115860 [PMID:33191083] |
| ChEMBL | Inhibition of SARS-CoV-2 (BetaCoV/Wuhan/WIV04/2019) MPro expressed in Escherichia coli using FRET susbtrate measured after 1 hr | B | 5.38 | pIC50 | 4130 | nM | IC50 | Bioorg Med Chem (2021) 29: 115860-115860 [PMID:33191083] |
| ChEMBL | Inhibition of SARS CoV-2 BetaCoV/Wuhan/WIV04/2019 main protease expressed in Escherichia coli BL21 (DE3) using Dabcyl-KTSAVLQ/SGFRKME-Edans as substrate preincubated for 30 mins followed by substrate addition and measured after 1 hr by FRET analysis | B | 5.38 | pIC50 | 4130 | nM | IC50 | Eur J Med Chem (2022) 238: 114508-114508 [PMID:35688005] |
| ChEMBL | Inhibition of recombinant SARS-CoV-2 BetaCoV/Wuhan/WIV04/2019 main protease expressed in Escherichia coli BL21 (DE3) using Dabcyl-KTSAVLQSGFRKME (Edans) as substrate incubated for 1 hr by FRET assay | B | 5.39 | pIC50 | 4100 | nM | IC50 | J Med Chem (2024) 67: 3935-3958 [PMID:38365209] |
| ChEMBL | Inhibition of SARS-CoV-2 N-terminal 6His-SUMO-tagged 3CL protease expressed in Escherichia coli BL21 (DE3) using Dabcyl-KTSAVLQSGFRKM-Glu-Edans fluorogenic peptide as substrate pre-incubated for 30 mins in presence of GSH followed by substrate addition measured after 30 mins by FRET assay | B | 5.4 | pIC50 | 4000 | nM | IC50 | Eur J Med Chem (2023) 250: 115186-115186 [PMID:36796300] |
| ChEMBL | Inhibition of SARS-CoV-2 Main protease | B | 5.8 | pIC50 | 1590 | nM | IC50 | J Med Chem (2022) 65: 12500-12534 [PMID:36169610] |
| ChEMBL | Inhibition of SARS-CoV-2 main protease BetaCoV/Wuhan/WIV04/2019 expressed in Escherichia coli BL21(DE3) cells using FRET as substrate incubated for 1 hr | B | 8.39 | pIC50 | 4.1 | nM | IC50 | Bioorg Med Chem (2024) 103: 117577-117577 [PMID:38518735] |
| ChEMBL | Inhibition of eGFP fused SARS-CoV2 main protease transfected in HEK293T/17 cells incubated for 72 hrs by fluorescence based flow cytometry analysis | B | 5 | pEC50 | >10000 | nM | EC50 | Eur J Med Chem (2022) 240: 114596-114596 [PMID:35839690] |
| Cathepsin A in Human [GtoPdb: 1581] [UniProtKB: P10619] | ||||||||
| GtoPdb | - | - | 6 | pIC50 | 1000 | nM | IC50 | WO2013072327. Use of boceprevir and related compounds in atherosclerosis, heart failure, renal diseases, liver diseases or inflammatory diseases. (2013) |
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]
