BDBM232212 N-pentafluorobenzoyl-L-leucine-β-alanine benzyl ester (8)

SMILES: CC(C)C[C@H](NC(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)NCCC(=O)Oc1ccccc1

InChI Key: InChIKey=IZDFQWLAUGCOFD-ZDUSSCGKSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 232212   

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
Cathepsin L1 (CL1) (Fasciola hepatica (Liver fluke))	BDBM232212 (N-pentafluorobenzoyl-L-leucine-β-alanine benz...) Show SMILES CC(C)C[C@H](NC(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)NCCC(=O)Oc1ccccc1 |r| Show InChI InChI=1S/C22H21F5N2O4/c1-11(2)10-13(21(31)28-9-8-14(30)33-12-6-4-3-5-7-12)29-22(32)15-16(23)18(25)20(27)19(26)17(15)24/h3-7,11,13H,8-10H2,1-2H3,(H,28,31)(H,29,32)/t13-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.77E+4	n/a	n/a	n/a	n/a	n/a	n/a
Dublin City University					Assay Description The protease was activated by the addition of dithiothreitol, ethylenediaminetetraacetic acid (EDTA), and sodium acetate followed by incubation at 37...				J Enzyme Inhib Med Chem 25: 1-12 (2010) Article DOI: 10.3109/14756360902888184 BindingDB Entry DOI: 10.7270/Q29G5KP4
					More data for this Ligand-Target Pair