BDBM50037112 2-(3-Amino-2-oxo-2H-pyridin-1-yl)-N-(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)-acetamide::CHEMBL14223

SMILES: CC(C)C(NC(=O)Cn1cccc(N)c1=O)C(=O)C(F)(F)F

InChI Key: InChIKey=RPVAQYWPIDBFHT-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50037112   

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))	BDBM50037112 (2-(3-Amino-2-oxo-2H-pyridin-1-yl)-N-(3,3,3-trifluo...) Show SMILES CC(C)C(NC(=O)Cn1cccc(N)c1=O)C(=O)C(F)(F)F Show InChI InChI=1S/C13H16F3N3O3/c1-7(2)10(11(21)13(14,15)16)18-9(20)6-19-5-3-4-8(17)12(19)22/h3-5,7,10H,6,17H2,1-2H3,(H,18,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Human Neutrophil Elastase-catalyzed hydrolysis of the synthetic substrate MeO-Suc-Ala-Ala-Pro-Val-p- nitroanilide.				J Med Chem 39: 1112-24 (1996) Article DOI: 10.1021/jm950684z BindingDB Entry DOI: 10.7270/Q25Q4V6Z
					More data for this Ligand-Target Pair
Leukocyte elastase (Homo sapiens (Human))	BDBM50037112 (2-(3-Amino-2-oxo-2H-pyridin-1-yl)-N-(3,3,3-trifluo...) Show SMILES CC(C)C(NC(=O)Cn1cccc(N)c1=O)C(=O)C(F)(F)F Show InChI InChI=1S/C13H16F3N3O3/c1-7(2)10(11(21)13(14,15)16)18-9(20)6-19-5-3-4-8(17)12(19)22/h3-5,7,10H,6,17H2,1-2H3,(H,18,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
A Business Unit of ZENECA Inc. Curated by ChEMBL					Assay Description The compound was tested in vitro for ability to inhibit human leukocyte elastase activity				J Med Chem 37: 3090-9 (1994) BindingDB Entry DOI: 10.7270/Q2Z0375K
					More data for this Ligand-Target Pair