Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM50035501'   

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))	BDBM50035501 ((S)-1-{(S)-3-Methyl-2-[(tetrahydro-pyran-4-carbony...) Show SMILES CC(C)[C@H](NC(=O)C1CCOCC1)C(=O)N1CCC[C@H]1C(=O)NC(C(C)C)C(=O)C(F)(F)C(F)(F)F Show InChI InChI=1S/C23H34F5N3O5/c1-12(2)16(18(32)22(24,25)23(26,27)28)29-20(34)15-6-5-9-31(15)21(35)17(13(3)4)30-19(33)14-7-10-36-11-8-14/h12-17H,5-11H2,1-4H3,(H,29,34)(H,30,33)/t15-,16?,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	59	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Marion Merrell Dow Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against human neutrophil elastase was determined at a dose of 50 mg/kg				J Med Chem 37: 4538-53 (1995) BindingDB Entry DOI: 10.7270/Q28P615X
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