BDBM50058342 3-{(S)-2-Methyl-1-[2-(3,3,3-trifluoro-1-isopropyl-2-oxo-propylcarbamoyl)-pyrrolidine-1-carbonyl]-propylcarbamoyl}-naphthalene-2-carboxylic acid::CHEMBL55963

SMILES: CC(C)[C@H](NC(=O)c1cc2ccccc2cc1C(O)=O)C(=O)N1CCCC1C(=O)NC(C(C)C)C(=O)C(F)(F)F

InChI Key: InChIKey=CVUDNNJNQVCWJK-HRTMPFAESA-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 = 50058342   

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))	BDBM50058342 (3-{(S)-2-Methyl-1-[2-(3,3,3-trifluoro-1-isopropyl-...) Show SMILES CC(C)[C@H](NC(=O)c1cc2ccccc2cc1C(O)=O)C(=O)N1CCCC1C(=O)NC(C(C)C)C(=O)C(F)(F)F Show InChI InChI=1S/C28H32F3N3O6/c1-14(2)21(23(35)28(29,30)31)32-25(37)20-10-7-11-34(20)26(38)22(15(3)4)33-24(36)18-12-16-8-5-6-9-17(16)13-19(18)27(39)40/h5-6,8-9,12-15,20-22H,7,10-11H2,1-4H3,(H,32,37)(H,33,36)(H,39,40)/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	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