BDBM50005158 4-{(2-Benzyloxycarbonylamino-3-methyl-butyryl)-[(3,3,3-trifluoro-1-isopropyl-2-oxo-propylcarbamoyl)-methyl]-amino}-piperidine-1-carboxylic acid ethyl ester::CHEMBL351784

SMILES: CCOC(=O)N1CCC(CC1)N(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)C(=O)C(NC(=O)OCc1ccccc1)C(C)C

InChI Key: InChIKey=QSZWXTATIAPGTB-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 = 50005158   

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))	BDBM50005158 (4-{(2-Benzyloxycarbonylamino-3-methyl-butyryl)-[(3...) Show SMILES CCOC(=O)N1CCC(CC1)N(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)C(=O)C(NC(=O)OCc1ccccc1)C(C)C Show InChI InChI=1S/C29H41F3N4O7/c1-6-42-28(41)35-14-12-21(13-15-35)36(16-22(37)33-23(18(2)3)25(38)29(30,31)32)26(39)24(19(4)5)34-27(40)43-17-20-10-8-7-9-11-20/h7-11,18-19,21,23-24H,6,12-17H2,1-5H3,(H,33,37)(H,34,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	507	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