BDBM50320037 CHEMBL1085727::Glycine, N-[(3S)-4-benzyloxy-3-[[[2-[(5-chloro-2-nitrobenzoyl)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)c1cc(Cl)ccc1[N+]([O-])=O

InChI Key: InChIKey=HDTFNXHSLFQVDD-SKCDSABHSA-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 = 50320037   

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))	BDBM50320037 (CHEMBL1085727 | Glycine, N-[(3S)-4-benzyloxy-3-[[[...) Show SMILES CCOC(=O)CNC(=O)C(=O)C(COCc1ccccc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)c1cc(Cl)ccc1[N+]([O-])=O |r| Show InChI InChI=1S/C31H37ClN4O9/c1-2-45-27(37)17-33-31(41)28(38)25(19-44-18-21-11-7-4-8-12-21)35-30(40)24(15-20-9-5-3-6-10-20)34-29(39)23-16-22(32)13-14-26(23)36(42)43/h4,7-8,11-14,16,20,24-25H,2-3,5-6,9-10,15,17-19H2,1H3,(H,33,41)(H,34,39)(H,35,40)/t24-,25?/m0/s1	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	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