sivelestat [Ligand Id: 6441] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL76688 (LY544349, LY-544349, ONO-5046, Sivelestat)
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  • elastase, neutrophil expressed/Leukocyte elastase in Human [ChEMBL: CHEMBL248] [GtoPdb: 2358] [UniProtKB: P08246]
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  • proteinase 3/Leukocyte proteinase 3 in Human [ChEMBL: CHEMBL3900] [GtoPdb: 2401] [UniProtKB: P24158]
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  • elastase, neutrophil expressed in Human [GtoPdb: 2358] [UniProtKB: P08246]
  • elastase, neutrophil expressed/Neutrophil elastase in Mouse [ChEMBL: CHEMBL5156] [GtoPdb: 2358] [UniProtKB: Q3UP87]
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  • plasminogen activator, urokinase/Urokinase-type plasminogen activator in Human [ChEMBL: CHEMBL3286] [GtoPdb: 2393] [UniProtKB: P00749]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
cathepsin G/Cathepsin G in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4071] [GtoPdb: 2348] [UniProtKB: P08311]
ChEMBL Inhibition of human cathepsin G using Suc-Ala-Ala-Pro-Phe-p-nitroanilide as substrate incubated for 30 mins prior to substrate addition measured for 30 mins by spectrophotometry B 4 pIC50 >100000 nM IC50 J Med Chem (2013) 56: 9802-9806 [PMID:24224573]
ChEMBL Inhibition of human cathepsin G using N-succinyl-Ala-Ala-Pro-Phe-p-nitroanilide as substrate measured for 180 mins by spectrophotometry B 5 pIC50 >10000 nM IC50 Bioorg Med Chem (2015) 23: 1123-1134 [PMID:25650311]
kallikrein 1/Kallikrein 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2319] [GtoPdb: 2865] [UniProtKB: P06870]
ChEMBL Inhibition of human kallikrein using H-Pro-Phe-Arg-AMC acetate salt as substrate measured for 30 mins by spectrophotometry B 5.7 pIC50 >2000 nM IC50 J Med Chem (2013) 56: 9802-9806 [PMID:24224573]
elastase, neutrophil expressed/Leukocyte elastase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL248] [GtoPdb: 2358] [UniProtKB: P08246]
ChEMBL Binding affinity against Elastase. B 6.7 pKi 200 nM Ki J Med Chem (2000) 43: 305-341 [PMID:10669559]
ChEMBL Inhibition of human neutrophil elastase B 6.7 pKi 200 nM Ki J Med Chem (2020) 63: 13258-13265 [PMID:32692176]
ChEMBL Inhibition of human leukocyte elastase B 7.43 pKi 37 nM Ki ACS Med Chem Lett (2018) 9: 345-350 [PMID:29670698]
ChEMBL Inhibition of human neutrophil elastase B 7.62 pKi 24 nM Ki Bioorg Med Chem Lett (2021) 52: 128380-128380 [PMID:34563669]
ChEMBL Inhibition Assay: Each of Compounds (1) to (7) was added into 50 μL buffer A (containing 20 mM Tris-HCl (pH 7.4), 0.1% NaN3 and 5 mM CaCl2) to obtain compound solutions with concentrations of 0.02, 0.2, 2, or 20 μM for each of Compounds (1) to (7), followed by m adding 50 μL of the compound solutions into wells of a 96-well plate. The buffer A and Sivelestat (under the same solvent condition and concentrations as those of Compounds (1) to (7)) with the same volume were respectively used as a control group and a positive control group. Each well of the 96-well plate was further added with 25 μL of human neutrophil elastase (Enzo, 200 nM, in buffer B containing 20 mM Tris-HCl (pH 7.4) and 0.1% NaN3) and 25 μL MeO-Suc-Ala-Ala-Pro-Val-p-nitroanilide (500 μM, prepared in the buffer B), followed by reacting in an incubator (30° C.) for 30 minutes. B 4.19 pIC50 65040 nM IC50 US-9073833-B1. Oxime-based compound, pharmaceutical composition containing the same and method for preparing the same (2015)
ChEMBL Inhibition of human neutrophil elastase incubated for 40 mins in presence of Boc-Gln-Ala-Arg-AMC by fluorescence microtiter plate method B 6.15 pIC50 704 nM IC50 J Med Chem (2022) 65: 2971-2987 [PMID:35005973]
ChEMBL Inhibition of human neutrophil elastase assessed as proteolysis using N-(methoxysuccinyl)-Ala-Ala-Pro-Val-p-nitroanilide substrate incubated for 15 mins prior to substrate addition measured every 30 seconds B 6.87 pIC50 136 nM IC50 J Med Chem (2013) 56: 1276-1290 [PMID:23350733]
ChEMBL Inhibition of human neutrophil elastase measured for 30 mins by spectrophotometry B 7.15 pIC50 70 nM IC50 Bioorg Med Chem (2015) 23: 1123-1134 [PMID:25650311]
ChEMBL Inhibition of human neutrophil elastase using N-methylsuccinyl-Ala-Ala-Pro-Val-7-amino-4-methylcoumarin as substrate measured for every 30 sec for 10 mins by fluorescence based assay B 7.3 pIC50 50 nM IC50 Bioorg Med Chem (2021) 29: 115836-115836 [PMID:33218895]
ChEMBL Release Assay: Each of Compounds (1) to (6) was dissolved in 100% DMSO so as to obtain stock to compound solutions with concentrations of 0.01, 0.03, 0.1, 0.3, 1, 3 or 10 mM) for each of Compounds (1) to (6). 7500 of the neutrophil suspension obtained in -3. Preparation of human neutrophil under the section of -Experimental materials was added with 200 uM of MeO-Suc-Ala-Ala-Pro-Val-p-nitroanilide (454454, Calbiochem Limited, dissolved in 750 ul HBSS and functioned as a substrate for human neutrophils) at a is volume ratio of 1:1 (the final volume was 1.5 ml), stirred at 37 C. for 2 minutes, followed by addition with 1.5 ul of the aforesaid compound solution and reaction at 37 C. for 2 minutes. In a control group, 100% DMSO was used to substitute the compound solution. Moreover, Sivelestat (with concentrations of 0.01, 0.03, 0.1, 0.3, 1, 3 or 10 mM in DMSO) was used to substitute the compound solution as a positive control group. B 7.3 pIC50 50 nM IC50 US-9073833-B1. Oxime-based compound, pharmaceutical composition containing the same and method for preparing the same (2015)
ChEMBL Inhibition of human neutrophil elastase B 7.36 pIC50 44 nM IC50 J Med Chem (2020) 63: 13258-13265 [PMID:32692176]
ChEMBL Inhibition of human neutrophil elastase using N-methylsuccinyl-Ala-Ala-Pro-Val-7-amino-4-methyl-coumarin as substrate measured every 30 secs for 10 mins by fluorescence microplate reader B 7.36 pIC50 44 nM IC50 Bioorg Med Chem (2011) 19: 4460-4472 [PMID:21741848]
ChEMBL Inhibitory concentration against elastase B 7.36 pIC50 44 nM IC50 J Med Chem (2000) 43: 305-341 [PMID:10669559]
ChEMBL Inhibitory concentration in vitro against Human neutrophil elastase B 7.36 pIC50 44 nM IC50 Bioorg Med Chem Lett (2002) 12: 2349-2353 [PMID:12161131]
GtoPdb - - 7.4 pIC50 44 nM IC50 Bioorg Med Chem (2011) 19: 4460-72 [PMID:21741848]
ChEMBL Inhibition of human neutrophil elastase using MeO-Suc-Ala-Ala-Pro-Val-AMC as substrate incubated for 30 mins prior to substrate addition measured for 30 mins by fluorescence assay B 8 pIC50 10 nM IC50 J Med Chem (2013) 56: 9802-9806 [PMID:24224573]
proteinase 3/Leukocyte proteinase 3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3900] [GtoPdb: 2401] [UniProtKB: P24158]
ChEMBL Inhibition of human proteinase 3 using N-MeOSuc-Ala-Ala-Pro-Val-p-nitroanilide as substrate measured for 30 mins by spectrophotometry B 4 pIC50 >100000 nM IC50 J Med Chem (2013) 56: 9802-9806 [PMID:24224573]
ChEMBL Inhibition of Pr3 (unknown origin) using t-butyloxycarbonyl-Ala-Ala-Nva-thiobenzyl ester as substrate measured for 180 mins by spectrophotometry B 6.47 pIC50 340 nM IC50 Bioorg Med Chem (2015) 23: 1123-1134 [PMID:25650311]
elastase, neutrophil expressed in Human [GtoPdb: 2358] [UniProtKB: P08246]
GtoPdb - - 7.4 pIC50 44 nM IC50 Bioorg Med Chem (2011) 19: 4460-72 [PMID:21741848]
elastase, neutrophil expressed/Neutrophil elastase in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5156] [GtoPdb: 2358] [UniProtKB: Q3UP87]
ChEMBL Inhibition of recombinant mouse neutrophil elastase using methoxysuccinyl-Ala-Ala-Pro-Val-pnitroanilide as substrate preincubated for 15 mins before substrate addition measured after 90 mins by spectrophotometry B 6.84 pIC50 145.39 nM IC50 Bioorg Med Chem (2015) 23: 1123-1134 [PMID:25650311]
coagulation factor II, thrombin/Thrombin in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL204] [GtoPdb: 2362] [UniProtKB: P00734]
ChEMBL Inhibition of human thrombin using Z-Gly-Gly-Arg-AMC.HCl as substrate measured for 30 mins by spectrophotometry B 5.7 pIC50 >2000 nM IC50 J Med Chem (2013) 56: 9802-9806 [PMID:24224573]
Thrombin in Bovine (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4471] [UniProtKB: P00735]
ChEMBL Inhibition of bovine plasma thrombin using Benzoyl-Phe-Val-Arg-7-amido-4-methylcoumarin hydrochloride by spectrophotometry B 5 pIC50 >10000 nM IC50 Bioorg Med Chem (2015) 23: 1123-1134 [PMID:25650311]
plasminogen activator, urokinase/Urokinase-type plasminogen activator in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3286] [GtoPdb: 2393] [UniProtKB: P00749]
ChEMBL Inhibition of human urokinase using Z-Gly-Gly-Arg-AMC.HCl as substrate measured for 30 mins by spectrophotometry B 5.7 pIC50 >2000 nM IC50 J Med Chem (2013) 56: 9802-9806 [PMID:24224573]

ChEMBL data shown on this page come from version 32:

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]