BDBM50320060 CHEMBL1085982::ethyl 2-(4-(benzyloxy)-3-((S)-3-cyclohexyl-2-(2-(naphthalen-1-yl)acetamido)propanamido)-2-oxobutanamido)acetate

SMILES: CCOC(=O)CNC(=O)C(=O)C(COCc1ccccc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)Cc1cccc2ccccc12

InChI Key: InChIKey=BZMCCQDEXSFNJK-FSRLHOSWSA-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 = 50320060   

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 S (Homo sapiens (Human))	BDBM50320060 (CHEMBL1085982 | ethyl 2-(4-(benzyloxy)-3-((S)-3-cy...) Show SMILES CCOC(=O)CNC(=O)C(=O)C(COCc1ccccc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)Cc1cccc2ccccc12 |r| Show InChI InChI=1S/C36H43N3O7/c1-2-46-33(41)22-37-36(44)34(42)31(24-45-23-26-14-7-4-8-15-26)39-35(43)30(20-25-12-5-3-6-13-25)38-32(40)21-28-18-11-17-27-16-9-10-19-29(27)28/h4,7-11,14-19,25,30-31H,2-3,5-6,12-13,20-24H2,1H3,(H,37,44)(H,38,40)(H,39,43)/t30-,31?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.70	n/a	n/a	n/a	n/a	n/a	n/a
National Tsing Hua University Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin S expressed in Escherichia coli BL21 (DE3) after 10 mins by fluorescence assay				J Med Chem 53: 4545-9 (2010) Article DOI: 10.1021/jm100089e BindingDB Entry DOI: 10.7270/Q2TX3FJ2
					More data for this Ligand-Target Pair