null
SMILES: [Na;v0+].[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]S([#8-])(=O)=O)-[#7]-[#6](=O)\[#6]=[#6]\c2csc(n2)-[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6](=O)-[#6@@H](-[#7]-[#6]-1=O)-[#6@@H](-[#6])-[#6]-[#6])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-c1ccc(-[#8])cc1
InChI Key:
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)) | BDBM50583309 (CHEMBL4204851) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 0.0340 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of human neutrophil elastase | Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01583 BindingDB Entry DOI: 10.7270/Q2R78K38 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neutrophil elastase (Homo sapiens (Human)) | BDBM50583309 (CHEMBL4204851) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 321 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of human neutrophil elastase incubated for 40 mins in presence of Boc-Gln-Ala-Arg-AMC by fluorescence microtiter plate method | Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01583 BindingDB Entry DOI: 10.7270/Q2R78K38 | |||||||||||
More data for this Ligand-Target Pair |