BDBM232215 N-4-fluorobenzoyl-L-leucine-γ-aminobutyric acid benzyl ester (11)::N-pentafluorobenzoyl-L-leucine-γ-aminobutyric acid benzyl ester (12)

SMILES: CC(C)C[C@H](NC(=O)c1ccc(F)cc1)C(=O)NCCCC(=O)Oc1ccccc1

InChI Key: InChIKey=MCDKQMXZXMSSLE-FQEVSTJZSA-N

Data: 2 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 2 hits for monomerid = 232215   

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))	BDBM232215 (N-4-fluorobenzoyl-L-leucine-γ-aminobutyric ac...) Show SMILES CC(C)C[C@H](NC(=O)c1ccc(F)cc1)C(=O)NCCCC(=O)Oc1ccccc1 |r| Show InChI InChI=1S/C23H27FN2O4/c1-16(2)15-20(26-22(28)17-10-12-18(24)13-11-17)23(29)25-14-6-9-21(27)30-19-7-4-3-5-8-19/h3-5,7-8,10-13,16,20H,6,9,14-15H2,1-2H3,(H,25,29)(H,26,28)/t20-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.14E+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
Cathepsin L1 (CL1) (Fasciola hepatica (Liver fluke))	BDBM232215 (N-4-fluorobenzoyl-L-leucine-γ-aminobutyric ac...) Show SMILES CC(C)C[C@H](NC(=O)c1ccc(F)cc1)C(=O)NCCCC(=O)Oc1ccccc1 |r| Show InChI InChI=1S/C23H27FN2O4/c1-16(2)15-20(26-22(28)17-10-12-18(24)13-11-17)23(29)25-14-6-9-21(27)30-19-7-4-3-5-8-19/h3-5,7-8,10-13,16,20H,6,9,14-15H2,1-2H3,(H,25,29)(H,26,28)/t20-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.93E+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