BDBM232221 N-2-fluorobenzoyl-L-leucine-β-alanine nitrile (17)

SMILES: CCC(C)[C@H](NC(=O)c1ccccc1F)C(=O)NCCC#N

InChI Key: InChIKey=YWRJLTKJUJIAFM-IAXJKZSUSA-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 = 232221   

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))	BDBM232221 (N-2-fluorobenzoyl-L-leucine-β-alanine nitrile...) Show SMILES CCC(C)[C@H](NC(=O)c1ccccc1F)C(=O)NCCC#N |r| Show InChI InChI=1S/C16H20FN3O2/c1-3-11(2)14(16(22)19-10-6-9-18)20-15(21)12-7-4-5-8-13(12)17/h4-5,7-8,11,14H,3,6,10H2,1-2H3,(H,19,22)(H,20,21)/t11?,14-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.43E+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