Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM50005163'   

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))	BDBM50005163 (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)N[C@@H](C(C)C)C(=O)c1ccc(cc1)C(F)(F)F)C1Cc2ccccc2C1 Show InChI InChI=1S/C42H42ClF3N4O7S/c1-24(2)36(38(52)26-13-15-31(16-14-26)42(44,45)46)47-35(51)23-50(33-21-29-7-5-6-8-30(29)22-33)41(55)37(25(3)4)48-39(53)27-9-11-28(12-10-27)40(54)49-58(56,57)34-19-17-32(43)18-20-34/h5-20,24-25,33,36-37H,21-23H2,1-4H3,(H,47,51)(H,48,53)(H,49,54)/t36-,37?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.10E+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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