BDBM50035492 (S)-1-{(S)-3-Methyl-2-[4-(2-methyl-4-morpholin-4-yl-butyryl)-benzoylamino]-butyryl}-pyrrolidine-2-carboxylic acid (3,3,4,4,4-pentafluoro-1-isopropyl-2-oxo-butyl)-amide::CHEMBL344451

SMILES: CC(C)[C@H](NC(=O)c1ccc(cc1)C(=O)C(C)CCN1CCOCC1)C(=O)N1CCC[C@H]1C(=O)NC(C(C)C)C(=O)C(F)(F)C(F)(F)F

InChI Key: InChIKey=BLLFPRAZTBIUIE-BFHWGTDASA-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 = 50035492   

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))	BDBM50035492 ((S)-1-{(S)-3-Methyl-2-[4-(2-methyl-4-morpholin-4-y...) Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)C(=O)C(C)CCN1CCOCC1)C(=O)N1CCC[C@H]1C(=O)NC(C(C)C)C(=O)C(F)(F)C(F)(F)F Show InChI InChI=1S/C33H45F5N4O6/c1-19(2)25(28(44)32(34,35)33(36,37)38)39-30(46)24-7-6-13-42(24)31(47)26(20(3)4)40-29(45)23-10-8-22(9-11-23)27(43)21(5)12-14-41-15-17-48-18-16-41/h8-11,19-21,24-26H,6-7,12-18H2,1-5H3,(H,39,46)(H,40,45)/t21?,24-,25?,26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Marion Merrell Dow Research Institute Curated by ChEMBL					Assay Description In vitro inhibition of human neutrophil elastase				J Med Chem 37: 4538-53 (1995) BindingDB Entry DOI: 10.7270/Q28P615X
					More data for this Ligand-Target Pair