Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM50005160'   

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))	BDBM50005160 (CHEMBL348882 | Indan-2-yl-[(3,3,3-trifluoro-1-isop...) Show SMILES CC(C)C(NC(=O)CN(C1Cc2ccccc2C1)C(=O)OCc1ccccc1)C(=O)C(F)(F)F Show InChI InChI=1S/C25H27F3N2O4/c1-16(2)22(23(32)25(26,27)28)29-21(31)14-30(20-12-18-10-6-7-11-19(18)13-20)24(33)34-15-17-8-4-3-5-9-17/h3-11,16,20,22H,12-15H2,1-2H3,(H,29,31)	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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