BDBM50084637 2,2-Dimethyl-propionic acid 4-[2-(carboxymethyl-carbamoyl)-phenylsulfamoyl]-phenyl ester::2,2-Dimethyl-propionic acid 4-[2-(carboxymethyl-carbamoyl)-phenylsulfamoyl]-phenyl ester(ONO-5046)::CHEMBL76688::ONO-5046::Sivelestat
SMILES: CC(C)(C)C(=O)Oc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)NCC(O)=O
InChI Key: InChIKey=BTGNGJJLZOIYID-UHFFFAOYSA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
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Leukocyte elastase (Homo sapiens (Human)) | BDBM50084637 (2,2-Dimethyl-propionic acid 4-[2-(carboxymethyl-ca...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | Article PubMed | 37 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn Curated by ChEMBL | Assay Description Inhibition of human leukocyte elastase | ACS Med Chem Lett 9: 345-350 (2018) Article DOI: 10.1021/acsmedchemlett.7b00533 BindingDB Entry DOI: 10.7270/Q24B3403 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Leukocyte elastase (Homo sapiens (Human)) | BDBM50084637 (2,2-Dimethyl-propionic acid 4-[2-(carboxymethyl-ca...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | PubMed | 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland Curated by ChEMBL | Assay Description Binding affinity against Elastase. | J Med Chem 43: 305-41 (2000) Checked by Author BindingDB Entry DOI: 10.7270/Q2JD4XH4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Leukocyte proteinase 3 (Homo sapiens (Human)) | BDBM50084637 (2,2-Dimethyl-propionic acid 4-[2-(carboxymethyl-ca...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Chang Gung University Curated by ChEMBL | Assay Description Inhibition of Pr3 (unknown origin) using t-butyloxycarbonyl-Ala-Ala-Nva-thiobenzyl ester as substrate measured for 180 mins by spectrophotometry | Bioorg Med Chem 23: 1123-34 (2015) Article DOI: 10.1016/j.bmc.2014.12.056 BindingDB Entry DOI: 10.7270/Q2CJ8G5M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Thrombin (Bos taurus (Bovine)) | BDBM50084637 (2,2-Dimethyl-propionic acid 4-[2-(carboxymethyl-ca...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >1 | n/a | n/a | n/a | n/a | n/a | n/a |
Chang Gung University Curated by ChEMBL | Assay Description Inhibition of bovine plasma thrombin using Benzoyl-Phe-Val-Arg-7-amido-4-methylcoumarin hydrochloride by spectrophotometry | Bioorg Med Chem 23: 1123-34 (2015) Article DOI: 10.1016/j.bmc.2014.12.056 BindingDB Entry DOI: 10.7270/Q2CJ8G5M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Leukocyte elastase (Homo sapiens (Human)) | BDBM50084637 (2,2-Dimethyl-propionic acid 4-[2-(carboxymethyl-ca...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Chang Gung University Curated by ChEMBL | Assay Description Inhibition of human neutrophil elastase measured for 30 mins by spectrophotometry | Bioorg Med Chem 23: 1123-34 (2015) Article DOI: 10.1016/j.bmc.2014.12.056 BindingDB Entry DOI: 10.7270/Q2CJ8G5M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Leukocyte elastase (Homo sapiens (Human)) | BDBM50084637 (2,2-Dimethyl-propionic acid 4-[2-(carboxymethyl-ca...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze Curated by ChEMBL | Assay Description 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 m... | Bioorg Med Chem 19: 4460-72 (2011) Article DOI: 10.1016/j.bmc.2011.06.036 BindingDB Entry DOI: 10.7270/Q2JD4X5N | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Leukocyte elastase (Homo sapiens (Human)) | BDBM50084637 (2,2-Dimethyl-propionic acid 4-[2-(carboxymethyl-ca...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland Curated by ChEMBL | Assay Description Inhibitory concentration against elastase | J Med Chem 43: 305-41 (2000) Checked by Author BindingDB Entry DOI: 10.7270/Q2JD4XH4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kallikrein-1 (KLK1) (Homo sapiens (Human)) | BDBM50084637 (2,2-Dimethyl-propionic acid 4-[2-(carboxymethyl-ca...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade de Lisboa Curated by ChEMBL | Assay Description Inhibition of human kallikrein using H-Pro-Phe-Arg-AMC acetate salt as substrate measured for 30 mins by spectrophotometry | J Med Chem 56: 9802-6 (2014) Article DOI: 10.1021/jm4011725 BindingDB Entry DOI: 10.7270/Q2RX9DJ9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin G (Homo sapiens (Human)) | BDBM50084637 (2,2-Dimethyl-propionic acid 4-[2-(carboxymethyl-ca...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade de Lisboa Curated by ChEMBL | Assay Description 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 ... | J Med Chem 56: 9802-6 (2014) Article DOI: 10.1021/jm4011725 BindingDB Entry DOI: 10.7270/Q2RX9DJ9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Leukocyte proteinase 3 (Homo sapiens (Human)) | BDBM50084637 (2,2-Dimethyl-propionic acid 4-[2-(carboxymethyl-ca...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade de Lisboa Curated by ChEMBL | Assay Description Inhibition of human proteinase 3 using N-MeOSuc-Ala-Ala-Pro-Val-p-nitroanilide as substrate measured for 30 mins by spectrophotometry | J Med Chem 56: 9802-6 (2014) Article DOI: 10.1021/jm4011725 BindingDB Entry DOI: 10.7270/Q2RX9DJ9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Leukocyte elastase (Homo sapiens (Human)) | BDBM50084637 (2,2-Dimethyl-propionic acid 4-[2-(carboxymethyl-ca...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade de Lisboa Curated by ChEMBL | Assay Description 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... | J Med Chem 56: 9802-6 (2014) Article DOI: 10.1021/jm4011725 BindingDB Entry DOI: 10.7270/Q2RX9DJ9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Leukocyte elastase (Homo sapiens (Human)) | BDBM50084637 (2,2-Dimethyl-propionic acid 4-[2-(carboxymethyl-ca...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 136 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida Curated by ChEMBL | Assay Description Inhibition of human neutrophil elastase assessed as proteolysis using N-(methoxysuccinyl)-Ala-Ala-Pro-Val-p-nitroanilide substrate incubated for 15 m... | J Med Chem 56: 1276-90 (2013) Article DOI: 10.1021/jm3017305 BindingDB Entry DOI: 10.7270/Q2CR5VQ8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bile salt export pump (Homo sapiens (Human)) | BDBM50084637 (2,2-Dimethyl-propionic acid 4-[2-(carboxymethyl-ca...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.42E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Curated by ChEMBL | Assay Description In vitro displacement of [3H]ICS-205-930 from 5-hydroxytryptamine 3 receptor in cultured NG-108-15 rat glioma cells | Drug Metab Dispos 40: 2332-41 (2012) Article DOI: 10.1124/dmd.112.047068 BindingDB Entry DOI: 10.7270/Q2ZP488M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin G (Homo sapiens (Human)) | BDBM50084637 (2,2-Dimethyl-propionic acid 4-[2-(carboxymethyl-ca...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >1 | n/a | n/a | n/a | n/a | n/a | n/a |
Chang Gung University Curated by ChEMBL | Assay Description Inhibition of human cathepsin G using N-succinyl-Ala-Ala-Pro-Phe-p-nitroanilide as substrate measured for 180 mins by spectrophotometry | Bioorg Med Chem 23: 1123-34 (2015) Article DOI: 10.1016/j.bmc.2014.12.056 BindingDB Entry DOI: 10.7270/Q2CJ8G5M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Leukocyte elastase (Homo sapiens (Human)) | BDBM50084637 (2,2-Dimethyl-propionic acid 4-[2-(carboxymethyl-ca...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
Minase Research Institute Curated by ChEMBL | Assay Description Inhibitory concentration of the compound was tested in vitro against Human neutrophil elastase | Bioorg Med Chem Lett 12: 2349-53 (2002) BindingDB Entry DOI: 10.7270/Q2BK1BNM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neutrophil elastase (Mus musculus) | BDBM50084637 (2,2-Dimethyl-propionic acid 4-[2-(carboxymethyl-ca...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 145 | n/a | n/a | n/a | n/a | n/a | n/a |
Chang Gung University Curated by ChEMBL | Assay Description Inhibition of human cathepsin G using N-succinyl-Ala-Ala-Pro-Phe-p-nitroanilide as substrate measured for 180 mins by spectrophotometry | Bioorg Med Chem 23: 1123-34 (2015) Article DOI: 10.1016/j.bmc.2014.12.056 BindingDB Entry DOI: 10.7270/Q2CJ8G5M | |||||||||||
More data for this Ligand-Target Pair |