BDBM50005155 (1-{Cyclopentyl-[(3,3,3-trifluoro-1-isopropyl-2-oxo-propylcarbamoyl)-methyl]-carbamoyl}-2-methyl-propyl)-carbamic acid benzyl ester::CHEMBL160737

SMILES: CC(C)C(NC(=O)OCc1ccccc1)C(=O)N(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)C1CCCC1

InChI Key: InChIKey=JGFRTWUNQNCPOP-UHFFFAOYSA-N

Data: 1 IC50

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 = 50005155   

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))	BDBM50005155 ((1-{Cyclopentyl-[(3,3,3-trifluoro-1-isopropyl-2-ox...) Show SMILES CC(C)C(NC(=O)OCc1ccccc1)C(=O)N(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)C1CCCC1 Show InChI InChI=1S/C26H36F3N3O5/c1-16(2)21(23(34)26(27,28)29)30-20(33)14-32(19-12-8-9-13-19)24(35)22(17(3)4)31-25(36)37-15-18-10-6-5-7-11-18/h5-7,10-11,16-17,19,21-22H,8-9,12-15H2,1-4H3,(H,30,33)(H,31,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	156	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against human leukocyte elastase				J Med Chem 35: 641-62 (1992) BindingDB Entry DOI: 10.7270/Q2K074X9
					More data for this Ligand-Target Pair