BDBM232237 N-2,3,4,5,6-pentafluorobenzoyl-L-leucine-glycine nitrile (33)

SMILES: CC(C)C[C@H](NC(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)NCC#N

InChI Key: InChIKey=FAZOJUHLABZVDE-ZETCQYMHSA-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 = 232237   

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))	BDBM232237 (N-2,3,4,5,6-pentafluorobenzoyl-L-leucine-glycine n...) Show SMILES CC(C)C[C@H](NC(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)NCC#N |r| Show InChI InChI=1S/C15H14F5N3O2/c1-6(2)5-7(14(24)22-4-3-21)23-15(25)8-9(16)11(18)13(20)12(19)10(8)17/h6-7H,4-5H2,1-2H3,(H,22,24)(H,23,25)/t7-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.40E+3	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