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ChEMBL ligand: CHEMBL92708 (Calpeptin) |
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DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
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calpain 1/Calpain 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3891] [GtoPdb: 2336] [UniProtKB: P07384] | ||||||||
ChEMBL | The binding affinity against calpain. | B | 8.15 | pKi | 7 | nM | Ki | J Med Chem (2000) 43: 305-341 [PMID:10669559] |
ChEMBL | Inhibitory activity against calpain. | B | 6 | pIC50 | 1000 | nM | IC50 | J Med Chem (2000) 43: 305-341 [PMID:10669559] |
ChEMBL | Inhibition of human erythrocytes mu-calpain using Pep1 as substrate incubated for 30 mins under shaking condition in presence of CaCl2 by fluorescence assay | B | 6.53 | pIC50 | 297 | nM | IC50 | Eur J Med Chem (2016) 121: 433-444 [PMID:27318120] |
ChEMBL | Inhibition of calpain (unknown origin) using Suc-LY-AMC as fluorogenic substrate after 60 mins by spectrofluorometric analysis | B | 7.28 | pIC50 | 52 | nM | IC50 | Eur J Med Chem (2018) 157: 946-959 [PMID:30165342] |
ChEMBL | Inhibitory activity against Calpain 1 in platelets. | B | 7.4 | pIC50 | 40 | nM | IC50 | J Med Chem (2000) 43: 305-341 [PMID:10669559] |
GtoPdb | Inhibition of recombinant human calpain 1 | - | 8.3 | pIC50 | 5 | nM | IC50 | Bioorg Med Chem Lett (1997) 7: 539-544 |
ChEMBL | Inhibitory activity evaluated against recombinant human calpain 1 | B | 8.3 | pIC50 | 5 | nM | IC50 | Bioorg Med Chem Lett (1997) 7: 539-544 |
Calpain-9 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4523126] [UniProtKB: O14815] | ||||||||
ChEMBL | Inhibition of human recombinant mini-CAPN9 pre-incubated for 10 mins before calpain FRET peptide 5-FAM /QXL520 substrate addition by FLIPR assay | B | 5.55 | pIC50 | 2840 | nM | IC50 | US-20180318405-A1. Targeting capn9/capns2 activity as a therapeutic strategy for the treatment of myofibroblast differentiation and associated pathologies (2018) |
cathepsin B/Cathepsin B in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4072] [GtoPdb: 2343] [UniProtKB: P07858] | ||||||||
ChEMBL | Inhibition of cathepsin B (unknown origin) using RR-AMC as substrate preincubated for 30 mins followed by substrate addition and further incubated for 30 mins under shaking condition by fluorescence assay | B | 4 | pIC50 | >100000 | nM | IC50 | Eur J Med Chem (2016) 121: 433-444 [PMID:27318120] |
cathepsin K/Cathepsin K in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL268] [GtoPdb: 2350] [UniProtKB: P43235] | ||||||||
ChEMBL | Inhibitory activity against recombinant human cathepsin K | B | 9.96 | pIC50 | 0.11 | nM | IC50 | Bioorg Med Chem Lett (2004) 14: 275-278 [PMID:14684342] |
ChEMBL | Inhibitory activity against human cathepsin K | B | 9.96 | pIC50 | 0.11 | nM | IC50 | Bioorg Med Chem Lett (2004) 14: 719-722 [PMID:14741275] |
GtoPdb | - | - | 9.96 | pIC50 | 0.11 | nM | IC50 | Bioorg Med Chem Lett (2004) 14: 719-22 [PMID:14741275] |
cathepsin L/Cathepsin L in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3837] [GtoPdb: 2351] [UniProtKB: P07711] | ||||||||
ChEMBL | Inhibition of cathepsin L (unknown origin) using Z-FR-AMC as substrate preincubated for 30 mins followed by substrate addition and further incubated for 30 mins under shaking condition by fluorescence assay | B | 7.14 | pIC50 | 72 | nM | IC50 | Eur J Med Chem (2016) 121: 433-444 [PMID:27318120] |
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 C-terminal His6-tagged recombinant SARS-CoV-2 MPro transfected in Escherichia coli BL21 (DE3) assessed as dissociation constant by Cheng-Prusoff equation analysis | B | 5.91 | pKd | 1220 | nM | Kd | Eur J Med Chem (2022) 244: 114857-114857 [PMID:36332548] |
ChEMBL | Inhibition of SARS-CoV-2 MPro | B | 4.97 | pIC50 | 10690.55 | nM | IC50 | Bioorg Med Chem (2021) 29: 115860-115860 [PMID:33191083] |
ChEMBL | Inhibition of SARS-CoV-2 Main protease expressed in Escherichia coli BL21 (DE3) preincubated for 30 mins followed by addition of Dabcyl-KTSAVLQ/SGFRKME(Edans) substrate and measured after 1 hr by FRET assay | B | 4.97 | pIC50 | 10690 | nM | IC50 | Bioorg Med Chem Lett (2021) 48: 128263-128263 [PMID:34271072] |
ChEMBL | Inhibition of SARS-CoV-2 MPro | B | 4.97 | pIC50 | 10690 | nM | IC50 | Bioorg Med Chem (2021) 29: 115860-115860 [PMID:33191083] |
ChEMBL | Inhibition of SARS-CoV-2 3CLpro preincubated for 30 mins followed by addition of (Dabcyl)KTSAVLQSGFRKM(Glu) peptide substrate and measured after 1.5 hrs by FRET assay | B | 5 | pIC50 | >10000 | nM | IC50 | Bioorg Med Chem Lett (2021) 48: 128263-128263 [PMID:34271072] |
ChEMBL | Inhibition of SARS-CoV-2 3CL (3264 to 3569 residues) preincubated for 30 mins followed by addition of Dabcyl-KTSAVLQSGFRKME(Edans) substrate and measured after 1 hr by flourescence based plate reader assay | B | 5.32 | pIC50 | 4810 | nM | IC50 | Bioorg Med Chem Lett (2021) 48: 128263-128263 [PMID:34271072] |
ChEMBL | Inhibition of C-terminal His6-tagged recombinant SARS-CoV-2 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 | 5.61 | pIC50 | 2430 | nM | IC50 | Eur J Med Chem (2022) 244: 114857-114857 [PMID:36332548] |
CoV 3C-like (main) protease in SARS-CoV-2 [GtoPdb: 3111] | ||||||||
GtoPdb | - | - | 4.97 | pIC50 | 10690 | nM | IC50 | Cell Res (2020) 30: 678-692 [PMID:32541865] |
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]