BDBM50058379 1-{(S)-2-[Bis-(3-phenyl-propyl)-amino]-3-methyl-butyryl}-pyrrolidine-2-carboxylic acid (3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)-amide; hydrochloride::CHEMBL542128

SMILES: CC(C)C(NC(=O)C1CCCN1C(=O)[C@H](C(C)C)N(CCCc1ccccc1)CCCc1ccccc1)C(=O)C(F)(F)F

InChI Key: InChIKey=WKQSQQHHTZBHTH-DSNFFHCTSA-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 = 50058379   

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))	BDBM50058379 (1-{(S)-2-[Bis-(3-phenyl-propyl)-amino]-3-methyl-bu...) Show SMILES CC(C)C(NC(=O)C1CCCN1C(=O)[C@H](C(C)C)N(CCCc1ccccc1)CCCc1ccccc1)C(=O)C(F)(F)F Show InChI InChI=1S/C34H46F3N3O3/c1-24(2)29(31(41)34(35,36)37)38-32(42)28-20-13-23-40(28)33(43)30(25(3)4)39(21-11-18-26-14-7-5-8-15-26)22-12-19-27-16-9-6-10-17-27/h5-10,14-17,24-25,28-30H,11-13,18-23H2,1-4H3,(H,38,42)/t28?,29?,30-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against Human Neutrophil Elastase using acute lung injury model (ALIM) assay				J Med Chem 40: 1876-85 (1997) Article DOI: 10.1021/jm960819g BindingDB Entry DOI: 10.7270/Q2X92BZJ
					More data for this Ligand-Target Pair