BDBM50084636 5-[1-[4-(4-Benzoyl-3-hydroxy-2-propyl-benzyloxy)-phenyl]-meth-(Z)-ylidene]-2-thioxo-thiazolidin-4-one::5-[4-(4-Benzoyl-3-hydroxy-2-propyl-benzyloxy)-benzylidene]-2-thioxo-thiazolidin-4-one::CHEMBL69980

SMILES: CCCc1c(O)c(ccc1COc1ccc(C=C2SC(S)=NC2=O)cc1)C(=O)c1ccccc1

InChI Key: InChIKey=BPJRZNNZUJYBEJ-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50084636   

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))	BDBM50084636 (5-[1-[4-(4-Benzoyl-3-hydroxy-2-propyl-benzyloxy)-p...) Show SMILES CCCc1c(O)c(ccc1COc1ccc(C=C2SC(S)=NC2=O)cc1)C(=O)c1ccccc1 |w:16.16,c:21| Show InChI InChI=1S/C27H23NO4S2/c1-2-6-21-19(11-14-22(25(21)30)24(29)18-7-4-3-5-8-18)16-32-20-12-9-17(10-13-20)15-23-26(31)28-27(33)34-23/h3-5,7-15,30H,2,6,16H2,1H3,(H,28,31,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
University of Queensland Curated by ChEMBL					Assay Description Inhibitory concentration against Human cathepsin D				J Med Chem 43: 305-41 (2000) Checked by Author BindingDB Entry DOI: 10.7270/Q2JD4XH4
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50084636 (5-[1-[4-(4-Benzoyl-3-hydroxy-2-propyl-benzyloxy)-p...) Show SMILES CCCc1c(O)c(ccc1COc1ccc(C=C2SC(S)=NC2=O)cc1)C(=O)c1ccccc1 |w:16.16,c:21| Show InChI InChI=1S/C27H23NO4S2/c1-2-6-21-19(11-14-22(25(21)30)24(29)18-7-4-3-5-8-18)16-32-20-12-9-17(10-13-20)15-23-26(31)28-27(33)34-23/h3-5,7-15,30H,2,6,16H2,1H3,(H,28,31,33)	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	210	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