Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM50005149'   

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))	BDBM50005149 (2-{2-[4-(4-Chloro-benzenesulfonylaminocarbonyl)-be...) Show SMILES CC(C)C(NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1Cc2ccccc2CC1C(=O)NC(C(C)C)C(=O)C(F)(F)F Show InChI InChI=1S/C35H36ClF3N4O7S/c1-19(2)28(30(44)35(37,38)39)40-33(47)27-17-23-7-5-6-8-24(23)18-43(27)34(48)29(20(3)4)41-31(45)21-9-11-22(12-10-21)32(46)42-51(49,50)26-15-13-25(36)14-16-26/h5-16,19-20,27-29H,17-18H2,1-4H3,(H,40,47)(H,41,45)(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	110	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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