BDBM50320049 CHEMBL1085972::Glycine, N-[(3S)-4-benzyloxy-3-[[[2-[(3,3,3-triphenylpropanoyl)amino]cyclohexyl-L-alanyl]carbonyl]amino]-1,2-dioxobutyl], ethyl ester

SMILES: CCOC(=O)CNC(=O)C(=O)C(COCc1ccccc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1

InChI Key: InChIKey=TYBWAJKUTOCUEC-SQTCDLSVSA-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 = 50320049   

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))	BDBM50320049 (CHEMBL1085972 | Glycine, N-[(3S)-4-benzyloxy-3-[[[...) Show SMILES CCOC(=O)CNC(=O)C(=O)C(COCc1ccccc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C45H51N3O7/c1-2-55-41(50)30-46-44(53)42(51)39(32-54-31-34-20-10-4-11-21-34)48-43(52)38(28-33-18-8-3-9-19-33)47-40(49)29-45(35-22-12-5-13-23-35,36-24-14-6-15-25-36)37-26-16-7-17-27-37/h4-7,10-17,20-27,33,38-39H,2-3,8-9,18-19,28-32H2,1H3,(H,46,53)(H,47,49)(H,48,52)/t38-,39?/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	>100	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