BDBM232224 N-pentafluorobenzoyl-L-alanine-β-alanine nitrile (20)

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

InChI Key: InChIKey=YDDUMZFQUSVLQD-YFKPBYRVSA-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 = 232224   

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))	BDBM232224 (N-pentafluorobenzoyl-L-alanine-β-alanine nitr...) Show SMILES C[C@H](NC(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)NCCC#N |r| Show InChI InChI=1S/C13H10F5N3O2/c1-5(12(22)20-4-2-3-19)21-13(23)6-7(14)9(16)11(18)10(17)8(6)15/h5H,2,4H2,1H3,(H,20,22)(H,21,23)/t5-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	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