BDBM50296838 1-(3-(5-cyclobutyl-7-methoxy-4-oxo-4H-benzo[d][1,3]oxazin-2-yl)pyridin-2-yl)piperidine-4-carboxylic acid::CHEMBL557316

SMILES: COc1cc(C2CCC2)c2c(c1)nc(oc2=O)-c1cccnc1N1CCC(CC1)C(O)=O

InChI Key: InChIKey=IEOAQSFKJBAJKL-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 = 50296838   

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))	BDBM50296838 (1-(3-(5-cyclobutyl-7-methoxy-4-oxo-4H-benzo[d][1,3...) Show SMILES COc1cc(C2CCC2)c2c(c1)nc(oc2=O)-c1cccnc1N1CCC(CC1)C(O)=O Show InChI InChI=1S/C24H25N3O5/c1-31-16-12-18(14-4-2-5-14)20-19(13-16)26-22(32-24(20)30)17-6-3-9-25-21(17)27-10-7-15(8-11-27)23(28)29/h3,6,9,12-15H,2,4-5,7-8,10-11H2,1H3,(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
ActivX Biosciences, Inc Curated by ChEMBL					Assay Description Inhibition of human sputum neutrophil elastase by fluorescence based assay				Bioorg Med Chem Lett 19: 4743-6 (2009) Article DOI: 10.1016/j.bmcl.2009.06.053 BindingDB Entry DOI: 10.7270/Q2M32VT3
					More data for this Ligand-Target Pair