BDBM232240 N-4-trifluoromethylbenzoyl-L-leucine-glycine nitrile (36)

SMILES: CC(C)C[C@H](NC(=O)c1ccc(cc1)C(F)(F)F)C(=O)NCC#N

InChI Key: InChIKey=MQXUFQHTRWFITD-ZDUSSCGKSA-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 = 232240   

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))	BDBM232240 (N-4-trifluoromethylbenzoyl-L-leucine-glycine nitri...) Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1)C(F)(F)F)C(=O)NCC#N |r| Show InChI InChI=1S/C16H18F3N3O2/c1-10(2)9-13(15(24)21-8-7-20)22-14(23)11-3-5-12(6-4-11)16(17,18)19/h3-6,10,13H,8-9H2,1-2H3,(H,21,24)(H,22,23)/t13-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20E+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