Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM50005896'   

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))	BDBM50005896 (2-Butyl-1,8-dihydroxy-anthraquinone | CHEMBL41504) Show SMILES CCCCc1ccc2C(=O)c3cccc(O)c3C(=O)c2c1O Show InChI InChI=1S/C18H16O4/c1-2-3-5-10-8-9-12-15(16(10)20)18(22)14-11(17(12)21)6-4-7-13(14)19/h4,6-9,19-20H,2-3,5H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
School of Chemistry and Biochemistry Curated by ChEMBL					Assay Description In vitro inhibition of human leukocyte elastase.				J Med Chem 35: 1597-605 (1992) BindingDB Entry DOI: 10.7270/Q2QN67D7
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