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SMILES: [Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)Oc1cc(OCCCCOc2cc(OS([O-])(=O)=O)cc3oc(-c4ccc(OS([O-])(=O)=O)c(OS([O-])(=O)=O)c4)c(OS([O-])(=O)=O)c(=O)c23)c2c(c1)oc(-c1ccc(OS([O-])(=O)=O)c(OS([O-])(=O)=O)c1)c(OS([O-])(=O)=O)c2=O
InChI Key: InChIKey=ITRZYFUIRDSZSS-UHFFFAOYSA-F
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Neutrophil elastase (Homo sapiens (Human)) | BDBM50260058 (CHEMBL4095129) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 1.56E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University Curated by ChEMBL | Assay Description Inhibition of human neutrophil elastase using S1384 as substrate preincubated for 5 mins followed by substrate addition | J Med Chem 62: 5501-5511 (2019) Article DOI: 10.1021/acs.jmedchem.9b00379 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Plasminogen (Homo sapiens (Human)) | BDBM50260058 (CHEMBL4095129) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 7.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Medicinal Chemistry, and Institute for Structural Biology, Drug Discovery and Development, Virginia Commonwealth University , Richmond, Virginia 23219, United States. Curated by ChEMBL | Assay Description Allosteric inhibition of full length human plasmin by using chromogenic substrate spectrozyme PL preincubated for 5 mins followed by substrate additi... | J Med Chem 60: 641-657 (2017) Article DOI: 10.1021/acs.jmedchem.6b01474 BindingDB Entry DOI: 10.7270/Q2CF9SJM | |||||||||||
More data for this Ligand-Target Pair |