BDBM50035499 (S)-1-[(S)-3-Methyl-2-(2-morpholin-4-yl-acetylamino)-butyryl]-pyrrolidine-2-carboxylic acid (3,3,4,4,4-pentafluoro-1-isopropyl-2-oxo-butyl)-amide; hydrochloride::CHEMBL2372341

SMILES: Cl.CC(C)[C@H](NC(=O)CN1CCOCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)C(F)(F)F

InChI Key: InChIKey=UDVZPAXALANVEC-OOAIBONUSA-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 = 50035499   

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))	BDBM50035499 ((S)-1-[(S)-3-Methyl-2-(2-morpholin-4-yl-acetylamin...) Show SMILES Cl.CC(C)[C@H](NC(=O)CN1CCOCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)C(F)(F)F |r| Show InChI InChI=1S/C23H35F5N4O5.ClH/c1-13(2)17(19(34)22(24,25)23(26,27)28)30-20(35)15-6-5-7-32(15)21(36)18(14(3)4)29-16(33)12-31-8-10-37-11-9-31;/h13-15,17-18H,5-12H2,1-4H3,(H,29,33)(H,30,35);1H/t15-,17-,18-;/m0./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	60	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 inhibitory activity against human neutrophil elastase was determined at a dose of 50 mg/kg				J Med Chem 37: 4538-53 (1995) BindingDB Entry DOI: 10.7270/Q28P615X
					More data for this Ligand-Target Pair