BDBM50287754 5-[1-[4-(4-Acetyl-2-ethyl-3-hydroxy-benzyloxy)-phenyl]-meth-(Z)-ylidene]-2-thioxo-thiazolidin-4-one::CHEMBL69209

SMILES: CCc1c(O)c(ccc1COc1ccc(C=C2SC(S)=NC2=O)cc1)C(C)=O

InChI Key: InChIKey=QZQBHGBNNMUDCZ-UHFFFAOYSA-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 = 50287754   

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 D (Homo sapiens (Human))	BDBM50287754 (5-[1-[4-(4-Acetyl-2-ethyl-3-hydroxy-benzyloxy)-phe...) Show SMILES CCc1c(O)c(ccc1COc1ccc(C=C2SC(S)=NC2=O)cc1)C(C)=O |w:15.15,c:20| Show InChI InChI=1S/C21H19NO4S2/c1-3-16-14(6-9-17(12(2)23)19(16)24)11-26-15-7-4-13(5-8-15)10-18-20(25)22-21(27)28-18/h4-10,24H,3,11H2,1-2H3,(H,22,25,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.76E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of cathepsin D.				Bioorg Med Chem Lett 6: 2157-2162 (1996) Article DOI: 10.1016/0960-894X(96)00393-9 BindingDB Entry DOI: 10.7270/Q28G8KPZ
					More data for this Ligand-Target Pair