BDBM50035493 (S)-1-[(S)-3-Methyl-2-(3-morpholin-4-yl-3-oxo-propionylamino)-butyryl]-pyrrolidine-2-carboxylic acid (3,3,4,4,4-pentafluoro-1-isopropyl-2-oxo-butyl)-amide::CHEMBL342660

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

InChI Key: InChIKey=SGCUWGBREBTQMY-GZMMRYBBSA-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 = 50035493   

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))	BDBM50035493 ((S)-1-[(S)-3-Methyl-2-(3-morpholin-4-yl-3-oxo-prop...) Show SMILES CC(C)[C@H](NC(=O)CC(=O)N1CCOCC1)C(=O)N1CCC[C@H]1C(=O)NC(C(C)C)C(=O)C(F)(F)C(F)(F)F Show InChI InChI=1S/C24H35F5N4O6/c1-13(2)18(20(36)23(25,26)24(27,28)29)31-21(37)15-6-5-7-33(15)22(38)19(14(3)4)30-16(34)12-17(35)32-8-10-39-11-9-32/h13-15,18-19H,5-12H2,1-4H3,(H,30,34)(H,31,37)/t15-,18?,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	70	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 25 mg/kg				J Med Chem 37: 4538-53 (1995) BindingDB Entry DOI: 10.7270/Q28P615X
					More data for this Ligand-Target Pair