GC-376 [Ligand Id: 10883] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL2365410
  • calpain 1/Calpain-1 catalytic subunit in Human [ChEMBL: CHEMBL3891] [GtoPdb: 2336] [UniProtKB: P07384]
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  • CoV 3C-like (main) protease/CoV Replicase polyprotein 1a in SARS-CoV-2 [GtoPdb: 3111, 3124] [UniProtKB: P0DTC1]
  • CoV 3C-like (main) protease/CoV Replicase polyprotein 1a/Replicase polyprotein 1a in Severe acute respiratory syndrome-related coronavirus [ChEMBL: CHEMBL3927] [GtoPdb: 3111, 3124] [UniProtKB: P0C6U8]
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  • Replicase polyprotein 1ab in Human coronavirus 229E [ChEMBL: CHEMBL4888440] [UniProtKB: P0C6X1]
  • 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 [ChEMBL: CHEMBL4523582] [GtoPdb: 3125, 3139, 3206, 3261] [UniProtKB: P0DTD1]
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  • cathepsin K in Human [GtoPdb: 2350] [UniProtKB: P43235]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
calpain 1/Calpain-1 catalytic subunit in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3891] [GtoPdb: 2336] [UniProtKB: P07384]
GtoPdb - - 7.13 pIC50 74 nM IC50 ACS Pharmacol Transl Sci (2021) 4: 1408-1421 [PMID:34414360]
ChEMBL Inhibition of human calpain 1 using (DABCYL)-TPLKSPPPSPR-(EDANS) as substrate incubated for 30 mins in presence of calcium ions and GSH and measured after 30 mins by fluorescence based assay B 7.8 pIC50 16 nM IC50 Eur J Med Chem (2024) 276: 116707-116707 [PMID:39068863]
cathepsin L/Procathepsin L in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3837] [GtoPdb: 2351] [UniProtKB: P07711]
GtoPdb - - 8.36 pIC50 4.4 nM IC50 ACS Pharmacol Transl Sci (2021) 4: 1408-1421 [PMID:34414360]
ChEMBL Inhibition of human Cathepsin L using HiLyte Fluor488TM as substrate pre-incubated for 60 mins in presence of GSH followed by substrate addition measured after 30 mins by fluorescence based assay B 9 pIC50 1 nM IC50 Eur J Med Chem (2023) 250: 115186-115186 [PMID:36796300]
ChEMBL Inhibition of human Cathepsin L using HiLyte Fluor488TM as substrate pre-incubated for 60 mins in presence of GSH followed by substrate addition measured after 30 mins by fluorescence based assay B 9.16 pIC50 0.69 nM IC50 Eur J Med Chem (2023) 250: 115186-115186 [PMID:36796300]
CoV 3C-like (main) protease/CoV Replicase polyprotein 1a in SARS-CoV-2 [GtoPdb: 3111, 3124] [UniProtKB: P0DTC1]
GtoPdb - - 6.39 pIC50 410 nM IC50 Proc Natl Acad Sci U S A (2021) 118: [PMID:34210738]
GtoPdb - - 6.72 pIC50 190 nM IC50 Nat Commun (2020) 11: 4282 [PMID:32855413]
GtoPdb - - 7.14 pIC50 73 nM IC50 J Am Chem Soc (2022) 144: 2905-2920 [PMID:35142215]
GtoPdb - - 7.39 pIC50 41 nM IC50 ACS Pharmacol Transl Sci (2021) 4: 1408-1421 [PMID:34414360]
GtoPdb - - 7.52 pIC50 30 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 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 absence of GSH followed by substrate addition measured after 30 mins by FRET assay B 6.79 pIC50 162.18 nM IC50 Eur J Med Chem (2023) 250: 115186-115186 [PMID:36796300]
ChEMBL Inhibition of SARS-CoV 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 absence of GSH followed by substrate addition measured after 30 mins by FRET assay B 6.79 pIC50 161 nM IC50 Eur J Med Chem (2023) 250: 115186-115186 [PMID:36796300]
Replicase polyprotein 1ab in Human coronavirus 229E (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4888440] [UniProtKB: P0C6X1]
ChEMBL Inhibition of hCoV-229E 3CLpro using Dabcyl-KTSAVLQSGFRKM-Glu(Edans) as substrate preincubated 1 hr in presence of 2 mM GSH followed by substrate addition and measured after 30 mins by FRET assay B 7.64 pIC50 22.91 nM IC50 Eur J Med Chem (2024) 276: 116707-116707 [PMID:39068863]
ChEMBL Inhibition of hCoV-229E 3CLpro using Dabcyl-KTSAVLQSGFRKM-Glu(Edans) as substrate preincubated 1 hr in presence of 2 mM GSH followed by substrate addition and measured after 30 mins by FRET assay B 7.7 pIC50 20 nM IC50 Eur J Med Chem (2024) 276: 116707-116707 [PMID:39068863]
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 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 7.64 pIC50 22.91 nM IC50 Eur J Med Chem (2023) 250: 115186-115186 [PMID:36796300]
ChEMBL Inhibition of SARS-CoV-2 3CLpro using Dabcyl-KTSAVLQSGFRKM-Glu(Edans) as substrate preincubated for 1 hrs in presence of 2 mM GSH followed by substrate addition and measured after 30 mins by FRET assay B 7.64 pIC50 22.91 nM IC50 Eur J Med Chem (2024) 276: 116707-116707 [PMID:39068863]
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 7.7 pIC50 20 nM IC50 Eur J Med Chem (2023) 250: 115186-115186 [PMID:36796300]
ChEMBL Inhibition of SARS-CoV-2 3CLpro using Dabcyl-KTSAVLQSGFRKM-Glu(Edans) as substrate preincubated for 1 hrs in presence of 2 mM GSH followed by substrate addition and measured after 30 mins by FRET assay B 7.7 pIC50 20 nM IC50 Eur J Med Chem (2024) 276: 116707-116707 [PMID:39068863]
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 absence of GSH followed by substrate addition measured after 30 mins by FRET assay B 7.92 pIC50 12.02 nM IC50 Eur J Med Chem (2023) 250: 115186-115186 [PMID:36796300]
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 absence of GSH followed by substrate addition measured after 30 mins by FRET assay B 7.92 pIC50 12 nM IC50 Eur J Med Chem (2023) 250: 115186-115186 [PMID:36796300]
cathepsin K in Human [GtoPdb: 2350] [UniProtKB: P43235]
GtoPdb - - 7.59 pIC50 26 nM IC50 ACS Pharmacol Transl Sci (2021) 4: 1408-1421 [PMID:34414360]

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]