BDBM232210 N-3-fluorobenzoyl-L-leucine-β-alanine benzyl ester (6)

SMILES: CC(C)C[C@H](NC(=O)c1cccc(F)c1)C(=O)NCCC(=O)Oc1ccccc1

InChI Key: InChIKey=LMJXBVBNXKBXOF-IBGZPJMESA-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 = 232210   

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))	BDBM232210 (N-3-fluorobenzoyl-L-leucine-β-alanine benzyl ...) Show SMILES CC(C)C[C@H](NC(=O)c1cccc(F)c1)C(=O)NCCC(=O)Oc1ccccc1 |r| Show InChI InChI=1S/C22H25FN2O4/c1-15(2)13-19(25-21(27)16-7-6-8-17(23)14-16)22(28)24-12-11-20(26)29-18-9-4-3-5-10-18/h3-10,14-15,19H,11-13H2,1-2H3,(H,24,28)(H,25,27)/t19-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.48E+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