BDBM50098823 2-[5-Amino-2-(4-fluoro-phenyl)-6-oxo-6H-pyrimidin-1-yl]-N-[1-(5-butyl-[1,3,4]oxadiazole-2-carbonyl)-2-methyl-propyl]-acetamide::CHEMBL22757

SMILES: CCCCc1nnc(o1)C(=O)[C@@H](NC(=O)Cn1c(ncc(N)c1=O)-c1ccc(F)cc1)C(C)C

InChI Key: InChIKey=OZNABUFLGPLWMM-IBGZPJMESA-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 = 50098823   

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))	BDBM50098823 (2-[5-Amino-2-(4-fluoro-phenyl)-6-oxo-6H-pyrimidin-...) Show SMILES CCCCc1nnc(o1)C(=O)[C@@H](NC(=O)Cn1c(ncc(N)c1=O)-c1ccc(F)cc1)C(C)C Show InChI InChI=1S/C23H27FN6O4/c1-4-5-6-18-28-29-22(34-18)20(32)19(13(2)3)27-17(31)12-30-21(26-11-16(25)23(30)33)14-7-9-15(24)10-8-14/h7-11,13,19H,4-6,12,25H2,1-3H3,(H,27,31)/t19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	6.76	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