BDBM50098821 2-[5-Amino-2-(4-fluoro-phenyl)-6-oxo-6H-pyrimidin-1-yl]-N-[1-(5-isopropyl-[1,3,4]oxadiazole-2-carbonyl)-2-methyl-propyl]-acetamide::CHEMBL284874

SMILES: CC(C)[C@H](NC(=O)Cn1c(ncc(N)c1=O)-c1ccc(F)cc1)C(=O)c1nnc(o1)C(C)C

InChI Key: InChIKey=RUXKDOVSNSKYJL-KRWDZBQOSA-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 = 50098821   

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))	BDBM50098821 (2-[5-Amino-2-(4-fluoro-phenyl)-6-oxo-6H-pyrimidin-...) Show SMILES CC(C)[C@H](NC(=O)Cn1c(ncc(N)c1=O)-c1ccc(F)cc1)C(=O)c1nnc(o1)C(C)C Show InChI InChI=1S/C22H25FN6O4/c1-11(2)17(18(31)21-28-27-20(33-21)12(3)4)26-16(30)10-29-19(25-9-15(24)22(29)32)13-5-7-14(23)8-6-13/h5-9,11-12,17H,10,24H2,1-4H3,(H,26,30)/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	10.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cortech, Inc. Curated by ChEMBL					Assay Description Binding constant derived from inhibition of elastase catalyzed hydrolysis of synthetic substrate				J Med Chem 44: 1268-85 (2001) BindingDB Entry DOI: 10.7270/Q2B858VW
					More data for this Ligand-Target Pair