BDBM50287763 5-[1-{4-[3-Hydroxy-4-(2-hydroxy-benzoyl)-2-propyl-phenoxymethyl]-phenyl}-meth-(Z)-ylidene]-2-thioxo-thiazolidin-4-one::CHEMBL70042

SMILES: CCCc1c(O)c(ccc1OCc1ccc(C=C2SC(S)=NC2=O)cc1)C(=O)c1ccccc1O

InChI Key: InChIKey=XOYUIDGKEKKNEV-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 = 50287763   

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))	BDBM50287763 (5-[1-{4-[3-Hydroxy-4-(2-hydroxy-benzoyl)-2-propyl-...) Show SMILES CCCc1c(O)c(ccc1OCc1ccc(C=C2SC(S)=NC2=O)cc1)C(=O)c1ccccc1O |w:16.16,c:21| Show InChI InChI=1S/C27H23NO5S2/c1-2-5-19-22(13-12-20(25(19)31)24(30)18-6-3-4-7-21(18)29)33-15-17-10-8-16(9-11-17)14-23-26(32)28-27(34)35-23/h3-4,6-14,29,31H,2,5,15H2,1H3,(H,28,32,34)	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	620	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
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