BDBM50220311 CHEMBL391108::N-(amino(3-hydroxypropylamino)methylene)-2-(4-(2-chlorophenyl)-2-(2-methyl-4-propoxyphenyl)thiophen-3-yl)acetamide

SMILES: CCCOc1ccc(-c2scc(c2CC(=O)NC(=N)NCCCO)-c2ccccc2Cl)c(C)c1

InChI Key: InChIKey=WILLYSZDHYQIAN-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 = 50220311   

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
Beta-secretase 1 (Homo sapiens (Human))	BDBM50220311 (CHEMBL391108 | N-(amino(3-hydroxypropylamino)methy...) Show SMILES CCCOc1ccc(-c2scc(c2CC(=O)NC(=N)NCCCO)-c2ccccc2Cl)c(C)c1 Show InChI InChI=1S/C26H30ClN3O3S/c1-3-13-33-18-9-10-19(17(2)14-18)25-21(15-24(32)30-26(28)29-11-6-12-31)22(16-34-25)20-7-4-5-8-23(20)27/h4-5,7-10,14,16,31H,3,6,11-13,15H2,1-2H3,(H3,28,29,30,32)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.55E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of BACE1 by FRET assay				Bioorg Med Chem Lett 17: 5353-6 (2007) Article DOI: 10.1016/j.bmcl.2007.08.010 BindingDB Entry DOI: 10.7270/Q2WQ03GF
					More data for this Ligand-Target Pair