BDBM50037340 CHEMBL112880::{6-(3,5-Dimethoxy-phenyl)-2-oxo-1-[(3,3,3-trifluoro-1-isopropyl-2-oxo-propylcarbamoyl)-methyl]-1,2-dihydro-pyridin-3-yl}-carbamic acid benzyl ester

SMILES: COc1cc(OC)cc(c1)-c1ccc(NC(=O)OCc2ccccc2)c(=O)n1CC(=O)NC(C(C)C)C(=O)C(F)(F)F

InChI Key: InChIKey=XQDJSTTYDXNWJG-UHFFFAOYSA-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 = 50037340   

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))	BDBM50037340 (CHEMBL112880 | {6-(3,5-Dimethoxy-phenyl)-2-oxo-1-[...) Show SMILES COc1cc(OC)cc(c1)-c1ccc(NC(=O)OCc2ccccc2)c(=O)n1CC(=O)NC(C(C)C)C(=O)C(F)(F)F Show InChI InChI=1S/C29H30F3N3O7/c1-17(2)25(26(37)29(30,31)32)34-24(36)15-35-23(19-12-20(40-3)14-21(13-19)41-4)11-10-22(27(35)38)33-28(39)42-16-18-8-6-5-7-9-18/h5-14,17,25H,15-16H2,1-4H3,(H,33,39)(H,34,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Group Curated by ChEMBL					Assay Description Tested for inhibitory activity against human leukocyte elastase(HLE) enzyme				J Med Chem 37: 3303-12 (1994) BindingDB Entry DOI: 10.7270/Q2SB44SP
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