Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM50005162'   

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))	BDBM50005162 (4-(4-Chloro-benzenesulfonylaminocarbonyl)-N-(1-{in...) Show SMILES CC(C)C(NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N(CC(=O)NC(C)(C)C(=O)C(F)(F)F)C1Cc2ccccc2C1 Show InChI InChI=1S/C35H36ClF3N4O7S/c1-20(2)29(40-30(45)21-9-11-22(12-10-21)31(46)42-51(49,50)27-15-13-25(36)14-16-27)32(47)43(26-17-23-7-5-6-8-24(23)18-26)19-28(44)41-34(3,4)33(48)35(37,38)39/h5-16,20,26,29H,17-19H2,1-4H3,(H,40,45)(H,41,44)(H,42,46)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against human leukocyte elastase				J Med Chem 35: 641-62 (1992) BindingDB Entry DOI: 10.7270/Q2K074X9
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