BDBM50320052 CHEMBL1085975::ethyl 2-(4-(benzyloxy)-3-((S)-3-cyclohexyl-2-(4-methylbenzamido)propanamido)-2-oxobutanamido)acetate

SMILES: CCOC(=O)CNC(=O)C(=O)C(COCc1ccccc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccc(C)cc1

InChI Key: InChIKey=VEKLNYRHPODERA-QBHOUYDASA-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 = 50320052   

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))	BDBM50320052 (CHEMBL1085975 | 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)c1ccc(C)cc1 |r| Show InChI InChI=1S/C32H41N3O7/c1-3-42-28(36)19-33-32(40)29(37)27(21-41-20-24-12-8-5-9-13-24)35-31(39)26(18-23-10-6-4-7-11-23)34-30(38)25-16-14-22(2)15-17-25/h5,8-9,12-17,23,26-27H,3-4,6-7,10-11,18-21H2,1-2H3,(H,33,40)(H,34,38)(H,35,39)/t26-,27?/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	6.20	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