Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM50005146'   

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))	BDBM50005146 ((1-{Indan-2-yl-[(3,3,3-trifluoro-1-isopropyl-2-oxo...) Show SMILES CC(C)C(NC(=O)CN(C1Cc2ccccc2C1)C(=O)C(C(C)C)N(C)C(=O)OCc1ccccc1)C(=O)C(F)(F)F Show InChI InChI=1S/C31H38F3N3O5/c1-19(2)26(28(39)31(32,33)34)35-25(38)17-37(24-15-22-13-9-10-14-23(22)16-24)29(40)27(20(3)4)36(5)30(41)42-18-21-11-7-6-8-12-21/h6-14,19-20,24,26-27H,15-18H2,1-5H3,(H,35,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.56E+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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