BDBM50147766 CHEMBL3765121

SMILES: COc1ccccc1\C=C\C(=O)N[C@@H](COC(=O)c1ccccc1)C(=O)NC1CCCCC1

InChI Key: InChIKey=KGJFGEGYVWUAGV-QWYDYZLZSA-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 = 50147766   

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 B (Bos taurus (bovine))	BDBM50147766 (CHEMBL3765121) Show SMILES COc1ccccc1\C=C\C(=O)N[C@@H](COC(=O)c1ccccc1)C(=O)NC1CCCCC1 |r| Show InChI InChI=1S/C26H30N2O5/c1-32-23-15-9-8-10-19(23)16-17-24(29)28-22(25(30)27-21-13-6-3-7-14-21)18-33-26(31)20-11-4-2-5-12-20/h2,4-5,8-12,15-17,21-22H,3,6-7,13-14,18H2,1H3,(H,27,30)(H,28,29)/b17-16+/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.70E+5	n/a	n/a	n/a	n/a	n/a	n/a
Yamagata University Curated by ChEMBL					Assay Description Inhibition of bovine spleen cathepsin B using Z-Arg-Arg-MCA as substrate incubated for 10 mins				Bioorg Med Chem 24: 1241-54 (2016) BindingDB Entry DOI: 10.7270/Q23T9K25
					More data for this Ligand-Target Pair