BDBM50065147 (S)-1-{(S)-3-Methyl-2-[4-(morpholine-4-carbonyl)-benzoylamino]-butyryl}-pyrrolidine-2-carboxylic acid (3,3,4,4,5,5,5-heptafluoro-1-isopropyl-2-oxo-pentyl)-amide::CHEMBL82381

SMILES: CC(C)[C@H](NC(=O)c1ccc(cc1)C(=O)N1CCOCC1)C(=O)N1CCC[C@H]1C(=O)NC(C(C)C)C(=O)C(F)(F)C(F)(F)C(F)(F)F

InChI Key: InChIKey=YSOLXHNWWGYKFY-NHNZYLEHSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50065147   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Leukocyte elastase (Homo sapiens (Human))	BDBM50065147 ((S)-1-{(S)-3-Methyl-2-[4-(morpholine-4-carbonyl)-b...) Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)C(=O)N1CCOCC1)C(=O)N1CCC[C@H]1C(=O)NC(C(C)C)C(=O)C(F)(F)C(F)(F)C(F)(F)F Show InChI InChI=1S/C30H37F7N4O6/c1-16(2)21(23(42)28(31,32)29(33,34)30(35,36)37)38-25(44)20-6-5-11-41(20)27(46)22(17(3)4)39-24(43)18-7-9-19(10-8-18)26(45)40-12-14-47-15-13-40/h7-10,16-17,20-22H,5-6,11-15H2,1-4H3,(H,38,44)(H,39,43)/t20-,21?,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Inc. Curated by ChEMBL					Assay Description Inhibition of human neutrophil elastase in hamster lungs following 25 mg/kg pre-treatment before instillation of elastase.				J Med Chem 41: 2461-80 (1998) Article DOI: 10.1021/jm970812e BindingDB Entry DOI: 10.7270/Q23X85S8
					More data for this Ligand-Target Pair