Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM50098815'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Neutrophil elastase (Homo sapiens (Human))	BDBM50098815 (1-(2-Methanesulfonylamino-3-methyl-butyryl)-pyrrol...) Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NS(C)(=O)=O)C(C)C)C(=O)c1nnc(o1)C(C)(C)C Show InChI InChI=1S/C22H37N5O6S/c1-12(2)15(17(28)19-24-25-21(33-19)22(5,6)7)23-18(29)14-10-9-11-27(14)20(30)16(13(3)4)26-34(8,31)32/h12-16,26H,9-11H2,1-8H3,(H,23,29)/t14-,15-,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cortech, Inc. Curated by ChEMBL					Assay Description Binding constant derived from inhibition of elastase catalyzed hydrolysis of synthetic substrate				J Med Chem 44: 1268-85 (2001) BindingDB Entry DOI: 10.7270/Q2B858VW
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