BDBM232239 N-3-trifluoromethylbenzoyl-L-leucine-glycine nitrile (35)

SMILES: CC(C)C[C@H](NC(=O)c1cccc(c1)C(F)(F)F)C(=O)NCC#N

InChI Key: InChIKey=YLGLXVDHNPHGMY-ZDUSSCGKSA-N

Data: 3 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 3 hits for monomerid = 232239   

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))	BDBM232239 (N-3-trifluoromethylbenzoyl-L-leucine-glycine nitri...) Show SMILES CC(C)C[C@H](NC(=O)c1cccc(c1)C(F)(F)F)C(=O)NCC#N |r| Show InChI InChI=1S/C16H18F3N3O2/c1-10(2)8-13(15(24)21-7-6-20)22-14(23)11-4-3-5-12(9-11)16(17,18)19/h3-5,9-10,13H,7-8H2,1-2H3,(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	9.10E+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
Procathepsin L (Homo sapiens (Human))	BDBM232239 (N-3-trifluoromethylbenzoyl-L-leucine-glycine nitri...) Show SMILES CC(C)C[C@H](NC(=O)c1cccc(c1)C(F)(F)F)C(=O)NCC#N |r| Show InChI InChI=1S/C16H18F3N3O2/c1-10(2)8-13(15(24)21-7-6-20)22-14(23)11-4-3-5-12(9-11)16(17,18)19/h3-5,9-10,13H,7-8H2,1-2H3,(H,21,24)(H,22,23)/t13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of human cathepsin L using Z-L-R-AMC as substrate preincubated for 5 mins followed by substrate addition measured over 5 mins by spectroph...				Bioorg Med Chem Lett 28: 1972-1980 (2018) Article DOI: 10.1016/j.bmcl.2018.03.020 BindingDB Entry DOI: 10.7270/Q2445PZZ
					More data for this Ligand-Target Pair
Cathepsin L (Toxoplasma gondii)	BDBM232239 (N-3-trifluoromethylbenzoyl-L-leucine-glycine nitri...) Show SMILES CC(C)C[C@H](NC(=O)c1cccc(c1)C(F)(F)F)C(=O)NCC#N |r| Show InChI InChI=1S/C16H18F3N3O2/c1-10(2)8-13(15(24)21-7-6-20)22-14(23)11-4-3-5-12(9-11)16(17,18)19/h3-5,9-10,13H,7-8H2,1-2H3,(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	120	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii cathepsin L using Z-L-R-AMC as substrate preincubated for 5 mins followed by substrate addition measured over 5 mins ...				Bioorg Med Chem Lett 28: 1972-1980 (2018) Article DOI: 10.1016/j.bmcl.2018.03.020 BindingDB Entry DOI: 10.7270/Q2445PZZ
					More data for this Ligand-Target Pair